Structures of CsEuBr3 and its degradation product Cs2EuBr5·10H2O

Ehrenberg, H.; Fuess, H.; Hesse, S.; Zimmermann, J.; von Seggern, H.; Knapp, M.

doi:10.1107/S0108768106049032

Structures of CsEuBr₃ and its degradation product Cs₂EuBr₅·10H₂O

H. Ehrenberg, H. Fuess, S. Hesse, J. Zimmermann, H. von Seggern and M. Knapp

CsEuBr₃, caesium europium tribromide, crystallizes in an orthorhombic perovskite-type structure with an a^-a^-c⁺ octahedral tilting scheme (GdFeO₃ type). CsEuBr₃ is unstable in air and one of the degradation products was identified as Cs₂EuBr₅·10H₂O by single-crystal X-ray analysis and synchrotron powder diffraction. The Eu³⁺ ions on twofold rotational axes are coordinated by nine water molecules, and each water O atom is linked to two Br atoms by hydrogen bonds. The tricapped trigonal [EuO₉] prisms are separated from each other by infinite {Cs₂Br₅·H₂O} chains; the description Eu(OH₂)₉Cs₂Br₅(OH₂) might therefore be more appropriate. The oxidation of Eu²⁺ to Eu³⁺ during the degradation of CsEuBr₃ is further confirmed by changes in the magnetic properties from the as-prepared material into the degraded product.

Keywords: degradation; tilting scheme; magnetic properties.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S0108768106049032/ws5050sup1.cif Contains datablocks k4mxp, k1masc, global
	Structure factor file (CIF format) https://doi.org/10.1107/S0108768106049032/ws5050k4mxpsup2.fcf Contains datablock {g:\sc\sabine~1\k4\shelx\k4mxp}
	Structure factor file (CIF format) https://doi.org/10.1107/S0108768106049032/ws5050k1mascsup3.fcf Contains datablock {g:\sc\sabine~1\sh_310s\k1\shelx\k1masc}

Computing details top

For both compounds, program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997).

Figures top

(k4mxp) top

Crystal data top

Br₃CsEu	F(000) = 892
M_r = 524.60	D_x = 4.321 Mg m⁻³
Orthorhombic, Pbnm	Mo Kα radiation, λ = 0.71073 Å
a = 8.242 (2) Å	µ = 26.97 mm⁻¹
b = 8.3027 (18) Å	T = 299 K
c = 11.785 (2) Å	Prism, colourless, transparent
V = 806.5 (3) Å³	0.05 × 0.04 × 0.03 mm
Z = 4

Data collection top

Oxford Diffraction Xcalibur (TM) diffractometer	1051 independent reflections
Radiation source: fine-focus sealed tube	421 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.091
Rotation method data acquisition using π scans	θ_max = 29.9°, θ_min = 3.0°
Absorption correction: multi-scan ?	h = −10→10
T_min = 0.244, T_max = 0.532	k = −10→11
2878 measured reflections	l = −16→16

Refinement top

Refinement on F²	0 restraints
Least-squares matrix: full	Primary atom site location: structure-invariant direct methods
R[F² > 2σ(F²)] = 0.039	Secondary atom site location: difference Fourier map
wR(F²) = 0.092	w = 1/[σ²(F_o²) + (0.0363P)²] where P = (F_o² + 2F_c²)/3
S = 0.83	(Δ/σ)_max < 0.001
1051 reflections	Δρ_max = 2.08 e Å⁻³
28 parameters	Δρ_min = −1.57 e Å⁻³

Crystal data top

Br₃CsEu	V = 806.5 (3) Å³
M_r = 524.60	Z = 4
Orthorhombic, Pbnm	Mo Kα radiation
a = 8.242 (2) Å	µ = 26.97 mm⁻¹
b = 8.3027 (18) Å	T = 299 K
c = 11.785 (2) Å	0.05 × 0.04 × 0.03 mm

Data collection top

Oxford Diffraction Xcalibur (TM) diffractometer	1051 independent reflections
Absorption correction: multi-scan ?	421 reflections with I > 2σ(I)
T_min = 0.244, T_max = 0.532	R_int = 0.091
2878 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.039	28 parameters
wR(F²) = 0.092	0 restraints
S = 0.83	Δρ_max = 2.08 e Å⁻³
1051 reflections	Δρ_min = −1.57 e Å⁻³

Special details top

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
Eu1	0.5000	0.0000	0.0000	0.0251 (2)
Cs1	0.9925 (2)	0.96640 (17)	0.2500	0.0735 (5)
Br1	0.0557 (3)	0.5084 (3)	0.2500	0.0735 (8)
Br2	0.7952 (2)	0.2061 (2)	0.02888 (15)	0.0636 (6)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Eu1	0.0289 (5)	0.0266 (4)	0.0198 (4)	0.0004 (5)	−0.0005 (5)	0.0009 (4)
Cs1	0.0802 (12)	0.0831 (12)	0.0571 (9)	0.0220 (10)	0.000	0.000
Br1	0.089 (2)	0.113 (2)	0.0188 (10)	0.0081 (16)	0.000	0.000
Br2	0.0560 (9)	0.0548 (9)	0.0800 (13)	−0.0290 (8)	−0.0066 (10)	0.0099 (9)

Geometric parameters (Å, º) top

Eu1—Br1ⁱ	2.9827 (7)	Cs1—Br2^xiv	3.989 (2)
Eu1—Br1ⁱⁱ	2.9827 (7)	Cs1—Br2^ix	3.989 (2)
Eu1—Br2ⁱⁱⁱ	2.9866 (15)	Cs1—Br2^xii	4.133 (2)
Eu1—Br2^iv	2.9866 (15)	Cs1—Br2^xv	4.133 (2)
Eu1—Br2^v	2.9939 (15)	Cs1—Eu1ⁱⁱ	4.8662 (14)
Eu1—Br2	2.9939 (15)	Cs1—Eu1^xv	4.8662 (14)
Eu1—Cs1^iv	4.8662 (14)	Cs1—Eu1^xi	5.0236 (16)
Eu1—Cs1ⁱⁱⁱ	4.8662 (14)	Cs1—Eu1^xvi	5.0236 (16)
Eu1—Cs1^vi	5.0236 (16)	Br1—Eu1^iv	2.9827 (7)
Eu1—Cs1^vii	5.0236 (16)	Br1—Eu1^xvii	2.9827 (7)
Eu1—Cs1^viii	5.1237 (16)	Br1—Cs1ⁱⁱⁱ	3.740 (3)
Eu1—Cs1^ix	5.1237 (16)	Br1—Cs1^xviii	3.838 (3)
Cs1—Br2^x	3.660 (2)	Br2—Eu1ⁱⁱ	2.9866 (15)
Cs1—Br2^xi	3.660 (2)	Br2—Cs1^vi	3.660 (2)
Cs1—Br1^xii	3.740 (3)	Br2—Cs1^ix	3.989 (2)
Cs1—Br1^xiii	3.838 (3)	Br2—Cs1ⁱⁱⁱ	4.133 (2)

Br1ⁱ—Eu1—Br1ⁱⁱ	180.0	Br1^xii—Cs1—Br2^xiv	66.23 (4)
Br1ⁱ—Eu1—Br2ⁱⁱⁱ	89.64 (6)	Br1^xiii—Cs1—Br2^xiv	65.47 (3)
Br1ⁱⁱ—Eu1—Br2ⁱⁱⁱ	90.36 (6)	Br2^x—Cs1—Br2^ix	167.60 (5)
Br1ⁱ—Eu1—Br2^iv	90.36 (6)	Br2^xi—Cs1—Br2^ix	78.67 (5)
Br1ⁱⁱ—Eu1—Br2^iv	89.64 (6)	Br1^xii—Cs1—Br2^ix	66.23 (4)
Br2ⁱⁱⁱ—Eu1—Br2^iv	180.00 (5)	Br1^xiii—Cs1—Br2^ix	65.47 (3)
Br1ⁱ—Eu1—Br2^v	90.03 (6)	Br2^xiv—Cs1—Br2^ix	110.95 (7)
Br1ⁱⁱ—Eu1—Br2^v	89.97 (6)	Br2^x—Cs1—Br2^xii	118.57 (5)
Br2ⁱⁱⁱ—Eu1—Br2^v	90.30 (2)	Br2^xi—Cs1—Br2^xii	65.20 (3)
Br2^iv—Eu1—Br2^v	89.70 (2)	Br1^xii—Cs1—Br2^xii	128.32 (4)
Br1ⁱ—Eu1—Br2	89.97 (6)	Br1^xiii—Cs1—Br2^xii	63.89 (4)
Br1ⁱⁱ—Eu1—Br2	90.03 (6)	Br2^xiv—Cs1—Br2^xii	125.68 (4)
Br2ⁱⁱⁱ—Eu1—Br2	89.70 (2)	Br2^ix—Cs1—Br2^xii	62.90 (2)
Br2^iv—Eu1—Br2	90.30 (2)	Br2^x—Cs1—Br2^xv	65.20 (3)
Br2^v—Eu1—Br2	180.0	Br2^xi—Cs1—Br2^xv	118.57 (5)
Br1ⁱ—Eu1—Cs1^iv	127.94 (5)	Br1^xii—Cs1—Br2^xv	128.32 (4)
Br1ⁱⁱ—Eu1—Cs1^iv	52.06 (5)	Br1^xiii—Cs1—Br2^xv	63.89 (4)
Br2ⁱⁱⁱ—Eu1—Cs1^iv	54.97 (4)	Br2^xiv—Cs1—Br2^xv	62.90 (2)
Br2^iv—Eu1—Cs1^iv	125.03 (4)	Br2^ix—Cs1—Br2^xv	125.68 (4)
Br2^v—Eu1—Cs1^iv	57.73 (4)	Br2^xii—Cs1—Br2^xv	78.16 (6)
Br2—Eu1—Cs1^iv	122.27 (4)	Br2^x—Cs1—Eu1ⁱⁱ	150.39 (5)
Br1ⁱ—Eu1—Cs1ⁱⁱⁱ	52.06 (5)	Br2^xi—Cs1—Eu1ⁱⁱ	90.41 (3)
Br1ⁱⁱ—Eu1—Cs1ⁱⁱⁱ	127.94 (5)	Br1^xii—Cs1—Eu1ⁱⁱ	93.54 (4)
Br2ⁱⁱⁱ—Eu1—Cs1ⁱⁱⁱ	125.03 (4)	Br1^xiii—Cs1—Eu1ⁱⁱ	37.802 (15)
Br2^iv—Eu1—Cs1ⁱⁱⁱ	54.97 (4)	Br2^xiv—Cs1—Eu1ⁱⁱ	101.98 (4)
Br2^v—Eu1—Cs1ⁱⁱⁱ	122.27 (4)	Br2^ix—Cs1—Eu1ⁱⁱ	37.81 (2)
Br2—Eu1—Cs1ⁱⁱⁱ	57.73 (4)	Br2^xii—Cs1—Eu1ⁱⁱ	37.77 (2)
Cs1^iv—Eu1—Cs1ⁱⁱⁱ	180.00 (4)	Br2^xv—Cs1—Eu1ⁱⁱ	88.45 (4)
Br1ⁱ—Eu1—Cs1^vi	63.03 (5)	Br2^x—Cs1—Eu1^xv	90.41 (3)
Br1ⁱⁱ—Eu1—Cs1^vi	116.97 (5)	Br2^xi—Cs1—Eu1^xv	150.39 (5)
Br2ⁱⁱⁱ—Eu1—Cs1^vi	55.33 (4)	Br1^xii—Cs1—Eu1^xv	93.54 (4)
Br2^iv—Eu1—Cs1^vi	124.67 (4)	Br1^xiii—Cs1—Eu1^xv	37.802 (15)
Br2^v—Eu1—Cs1^vi	133.76 (4)	Br2^xiv—Cs1—Eu1^xv	37.81 (2)
Br2—Eu1—Cs1^vi	46.24 (4)	Br2^ix—Cs1—Eu1^xv	101.98 (4)
Cs1^iv—Eu1—Cs1^vi	108.73 (2)	Br2^xii—Cs1—Eu1^xv	88.45 (4)
Cs1ⁱⁱⁱ—Eu1—Cs1^vi	71.27 (2)	Br2^xv—Cs1—Eu1^xv	37.77 (2)
Br1ⁱ—Eu1—Cs1^vii	116.97 (5)	Eu1ⁱⁱ—Cs1—Eu1^xv	74.52 (3)
Br1ⁱⁱ—Eu1—Cs1^vii	63.03 (5)	Br2^x—Cs1—Eu1^xi	91.62 (4)
Br2ⁱⁱⁱ—Eu1—Cs1^vii	124.67 (4)	Br2^xi—Cs1—Eu1^xi	36.21 (2)
Br2^iv—Eu1—Cs1^vii	55.33 (4)	Br1^xii—Cs1—Eu1^xi	143.068 (18)
Br2^v—Eu1—Cs1^vii	46.24 (4)	Br1^xiii—Cs1—Eu1^xi	99.48 (4)
Br2—Eu1—Cs1^vii	133.76 (4)	Br2^xiv—Cs1—Eu1^xi	149.04 (4)
Cs1^iv—Eu1—Cs1^vii	71.27 (2)	Br2^ix—Cs1—Eu1^xi	83.75 (3)
Cs1ⁱⁱⁱ—Eu1—Cs1^vii	108.73 (2)	Br2^xii—Cs1—Eu1^xi	36.46 (2)
Cs1^vi—Eu1—Cs1^vii	180.0	Br2^xv—Cs1—Eu1^xi	86.28 (4)
Br1ⁱ—Eu1—Cs1^viii	46.18 (5)	Eu1ⁱⁱ—Cs1—Eu1^xi	72.502 (17)
Br1ⁱⁱ—Eu1—Cs1^viii	133.82 (5)	Eu1^xv—Cs1—Eu1^xi	114.17 (3)
Br2ⁱⁱⁱ—Eu1—Cs1^viii	110.57 (4)	Br2^x—Cs1—Eu1^xvi	36.21 (2)
Br2^iv—Eu1—Cs1^viii	69.43 (4)	Br2^xi—Cs1—Eu1^xvi	91.62 (4)
Br2^v—Eu1—Cs1^viii	51.01 (4)	Br1^xii—Cs1—Eu1^xvi	143.068 (18)
Br2—Eu1—Cs1^viii	128.99 (4)	Br1^xiii—Cs1—Eu1^xvi	99.48 (4)
Cs1^iv—Eu1—Cs1^viii	107.13 (2)	Br2^xiv—Cs1—Eu1^xvi	83.75 (3)
Cs1ⁱⁱⁱ—Eu1—Cs1^viii	72.87 (2)	Br2^ix—Cs1—Eu1^xvi	149.04 (4)
Cs1^vi—Eu1—Cs1^viii	108.625 (16)	Br2^xii—Cs1—Eu1^xvi	86.28 (4)
Cs1^vii—Eu1—Cs1^viii	71.375 (16)	Br2^xv—Cs1—Eu1^xvi	36.46 (2)
Br1ⁱ—Eu1—Cs1^ix	133.82 (5)	Eu1ⁱⁱ—Cs1—Eu1^xvi	114.17 (3)
Br1ⁱⁱ—Eu1—Cs1^ix	46.18 (5)	Eu1^xv—Cs1—Eu1^xvi	72.502 (17)
Br2ⁱⁱⁱ—Eu1—Cs1^ix	69.43 (4)	Eu1^xi—Cs1—Eu1^xvi	71.81 (3)
Br2^iv—Eu1—Cs1^ix	110.57 (4)	Eu1^iv—Br1—Eu1^xvii	162.08 (10)
Br2^v—Eu1—Cs1^ix	128.99 (4)	Eu1^iv—Br1—Cs1ⁱⁱⁱ	98.69 (5)
Br2—Eu1—Cs1^ix	51.01 (4)	Eu1^xvii—Br1—Cs1ⁱⁱⁱ	98.69 (5)
Cs1^iv—Eu1—Cs1^ix	72.87 (2)	Eu1^iv—Br1—Cs1^xviii	90.14 (5)
Cs1ⁱⁱⁱ—Eu1—Cs1^ix	107.13 (2)	Eu1^xvii—Br1—Cs1^xviii	90.14 (5)
Cs1^vi—Eu1—Cs1^ix	71.375 (16)	Cs1ⁱⁱⁱ—Br1—Cs1^xviii	103.16 (7)
Cs1^vii—Eu1—Cs1^ix	108.625 (16)	Eu1ⁱⁱ—Br2—Eu1	155.97 (7)
Cs1^viii—Eu1—Cs1^ix	180.0	Eu1ⁱⁱ—Br2—Cs1^vi	105.92 (5)
Br2^x—Cs1—Br2^xi	90.79 (6)	Eu1—Br2—Cs1^vi	97.54 (5)
Br2^x—Cs1—Br1^xii	113.06 (5)	Eu1ⁱⁱ—Br2—Cs1^ix	87.22 (5)
Br2^xi—Cs1—Br1^xii	113.06 (5)	Eu1—Br2—Cs1^ix	93.30 (5)
Br2^x—Cs1—Br1^xiii	126.80 (4)	Cs1^vi—Br2—Cs1^ix	101.33 (5)
Br2^xi—Cs1—Br1^xiii	126.80 (4)	Eu1ⁱⁱ—Br2—Cs1ⁱⁱⁱ	88.22 (5)
Br1^xii—Cs1—Br1^xiii	87.56 (6)	Eu1—Br2—Cs1ⁱⁱⁱ	84.51 (5)
Br2^x—Cs1—Br2^xiv	78.67 (5)	Cs1^vi—Br2—Cs1ⁱⁱⁱ	95.19 (5)
Br2^xi—Cs1—Br2^xiv	167.60 (5)	Cs1^ix—Br2—Cs1ⁱⁱⁱ	163.48 (6)

Br1ⁱ—Eu1—Br2—Eu1ⁱⁱ	−116.38 (17)	Br1ⁱ—Eu1—Br2—Cs1^ix	153.04 (6)
Br1ⁱⁱ—Eu1—Br2—Eu1ⁱⁱ	63.62 (17)	Br1ⁱⁱ—Eu1—Br2—Cs1^ix	−26.96 (6)
Br2ⁱⁱⁱ—Eu1—Br2—Eu1ⁱⁱ	153.99 (14)	Br2ⁱⁱⁱ—Eu1—Br2—Cs1^ix	63.40 (6)
Br2^iv—Eu1—Br2—Eu1ⁱⁱ	−26.01 (14)	Br2^iv—Eu1—Br2—Cs1^ix	−116.60 (6)
Br2^v—Eu1—Br2—Eu1ⁱⁱ	49.38 (17)	Br2^v—Eu1—Br2—Cs1^ix	−41.21 (3)
Cs1^iv—Eu1—Br2—Eu1ⁱⁱ	107.01 (16)	Cs1^iv—Eu1—Br2—Cs1^ix	16.42 (5)
Cs1ⁱⁱⁱ—Eu1—Br2—Eu1ⁱⁱ	−72.99 (16)	Cs1ⁱⁱⁱ—Eu1—Br2—Cs1^ix	−163.58 (5)
Cs1^vi—Eu1—Br2—Eu1ⁱⁱ	−167.5 (2)	Cs1^vi—Eu1—Br2—Cs1^ix	101.90 (5)
Cs1^vii—Eu1—Br2—Eu1ⁱⁱ	12.5 (2)	Cs1^vii—Eu1—Br2—Cs1^ix	−78.10 (5)
Cs1^viii—Eu1—Br2—Eu1ⁱⁱ	−89.41 (17)	Cs1^viii—Eu1—Br2—Cs1^ix	180.0
Cs1^ix—Eu1—Br2—Eu1ⁱⁱ	90.59 (17)	Br1ⁱ—Eu1—Br2—Cs1ⁱⁱⁱ	−43.38 (6)
Br1ⁱ—Eu1—Br2—Cs1^vi	51.14 (6)	Br1ⁱⁱ—Eu1—Br2—Cs1ⁱⁱⁱ	136.62 (6)
Br1ⁱⁱ—Eu1—Br2—Cs1^vi	−128.86 (6)	Br2ⁱⁱⁱ—Eu1—Br2—Cs1ⁱⁱⁱ	−133.02 (3)
Br2ⁱⁱⁱ—Eu1—Br2—Cs1^vi	−38.50 (6)	Br2^iv—Eu1—Br2—Cs1ⁱⁱⁱ	46.98 (3)
Br2^iv—Eu1—Br2—Cs1^vi	141.50 (6)	Br2^v—Eu1—Br2—Cs1ⁱⁱⁱ	122.37 (4)
Br2^v—Eu1—Br2—Cs1^vi	−143.11 (4)	Cs1^iv—Eu1—Br2—Cs1ⁱⁱⁱ	180.0
Cs1^iv—Eu1—Br2—Cs1^vi	−85.48 (5)	Cs1^vi—Eu1—Br2—Cs1ⁱⁱⁱ	−94.52 (5)
Cs1ⁱⁱⁱ—Eu1—Br2—Cs1^vi	94.52 (5)	Cs1^vii—Eu1—Br2—Cs1ⁱⁱⁱ	85.48 (5)
Cs1^vii—Eu1—Br2—Cs1^vi	180.0	Cs1^viii—Eu1—Br2—Cs1ⁱⁱⁱ	−16.42 (5)
Cs1^viii—Eu1—Br2—Cs1^vi	78.10 (5)	Cs1^ix—Eu1—Br2—Cs1ⁱⁱⁱ	163.58 (5)
Cs1^ix—Eu1—Br2—Cs1^vi	−101.90 (5)

Symmetry codes: (i) −x+1/2, y−1/2, z; (ii) x+1/2, −y+1/2, −z; (iii) −x+3/2, y−1/2, z; (iv) x−1/2, −y+1/2, −z; (v) −x+1, −y, −z; (vi) x, y−1, z; (vii) −x+1, −y+1, −z; (viii) x−1, y−1, z; (ix) −x+2, −y+1, −z; (x) x, y+1, −z+1/2; (xi) x, y+1, z; (xii) −x+3/2, y+1/2, z; (xiii) x+1, y, z; (xiv) −x+2, −y+1, z+1/2; (xv) −x+3/2, y+1/2, −z+1/2; (xvi) −x+1, −y+1, z+1/2; (xvii) −x+1/2, y+1/2, −z+1/2; (xviii) x−1, y, z.

(k1masc) top

Crystal data top

H₂₀Br₅Cs₂EuO₁₀	D_x = 3.007 Mg m⁻³
M_r = 997.49	Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, Pbcm	Cell parameters from 2592 reflections
a = 8.047 (2) Å	θ = 2.1–26.1°
b = 13.998 (3) Å	µ = 15.20 mm⁻¹
c = 19.558 (2) Å	T = 299 K
V = 2203.1 (8) Å³	Prism, colourless, transparent
Z = 4	0.07 × 0.05 × 0.05 mm
F(000) = 1792

Data collection top

Oxford Diffraction Xcalibur (TM) diffractometer	2488 independent reflections
Radiation source: fine-focus sealed tube	1231 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.075
Rotation method data acquisition using π scans	θ_max = 27.7°, θ_min = 2.9°
Absorption correction: multi-scan ?	h = −9→10
T_min = 0.456, T_max = 0.610	k = −17→18
9144 measured reflections	l = −25→20

Refinement top

Refinement on F²	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.054	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.098	H atoms treated by a mixture of independent and constrained refinement
S = 0.93	w = 1/[σ²(F_o²) + (0.0422P)²] where P = (F_o² + 2F_c²)/3
2488 reflections	(Δ/σ)_max < 0.001
89 parameters	Δρ_max = 1.42 e Å⁻³
0 restraints	Δρ_min = −1.07 e Å⁻³

Crystal data top

H₂₀Br₅Cs₂EuO₁₀	V = 2203.1 (8) Å³
M_r = 997.49	Z = 4
Orthorhombic, Pbcm	Mo Kα radiation
a = 8.047 (2) Å	µ = 15.20 mm⁻¹
b = 13.998 (3) Å	T = 299 K
c = 19.558 (2) Å	0.07 × 0.05 × 0.05 mm

Data collection top

Oxford Diffraction Xcalibur (TM) diffractometer	2488 independent reflections
Absorption correction: multi-scan ?	1231 reflections with I > 2σ(I)
T_min = 0.456, T_max = 0.610	R_int = 0.075
9144 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.054	0 restraints
wR(F²) = 0.098	H atoms treated by a mixture of independent and constrained refinement
S = 0.93	Δρ_max = 1.42 e Å⁻³
2488 reflections	Δρ_min = −1.07 e Å⁻³
89 parameters

Special details top

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
Eu1	0.23989 (9)	0.2500	0.0000	0.0292 (2)
Cs1	0.41836 (12)	0.03121 (7)	0.2500	0.0489 (3)
Cs2	0.11226 (15)	−0.24547 (7)	0.2500	0.0620 (4)
Br1	0.24890 (14)	−0.09782 (8)	0.10548 (5)	0.0435 (3)
Br2	0.75601 (12)	0.06956 (8)	0.37473 (5)	0.0438 (3)
Br3	0.6226 (2)	−0.20532 (13)	0.2500	0.0610 (5)
O1	−0.0682 (11)	0.2500	0.0000	0.046 (3)
O2	0.0248 (13)	−0.0006 (9)	0.2500	0.083 (4)
O3	0.3990 (8)	0.1009 (4)	−0.0257 (3)	0.0453 (19)
O4	0.1381 (8)	0.1810 (5)	−0.1089 (3)	0.054 (2)
O5	0.4511 (9)	0.2163 (5)	0.0862 (3)	0.064 (2)
O6	0.1232 (9)	0.1100 (5)	0.0540 (4)	0.072 (3)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Eu1	0.0258 (4)	0.0288 (4)	0.0330 (4)	0.000	0.000	−0.0013 (3)
Cs1	0.0456 (6)	0.0503 (7)	0.0509 (7)	−0.0072 (5)	0.000	0.000
Cs2	0.0848 (9)	0.0506 (7)	0.0505 (7)	0.0070 (7)	0.000	0.000
Br1	0.0365 (6)	0.0461 (7)	0.0479 (7)	−0.0009 (6)	0.0008 (6)	−0.0023 (6)
Br2	0.0369 (6)	0.0463 (7)	0.0481 (7)	0.0018 (6)	−0.0007 (6)	0.0041 (5)
Br3	0.0771 (13)	0.0603 (11)	0.0456 (11)	0.0103 (10)	0.000	0.000
O1	0.026 (5)	0.046 (6)	0.066 (7)	0.000	0.000	0.005 (5)
O2	0.064 (8)	0.137 (11)	0.048 (7)	0.033 (8)	0.000	0.000
O3	0.036 (4)	0.038 (4)	0.062 (5)	0.002 (4)	0.009 (4)	−0.007 (3)
O4	0.047 (5)	0.067 (5)	0.047 (5)	−0.016 (4)	−0.008 (3)	−0.011 (4)
O5	0.062 (5)	0.059 (5)	0.069 (6)	0.021 (4)	−0.045 (4)	−0.015 (4)
O6	0.054 (5)	0.051 (5)	0.110 (7)	0.006 (4)	0.033 (5)	0.036 (5)

Geometric parameters (Å, º) top

Eu1—O6ⁱ	2.416 (7)	Cs1—Cs2^iv	5.2919 (18)
Eu1—O6	2.416 (7)	Cs2—O2	3.499 (12)
Eu1—O5	2.440 (6)	Cs2—O4^v	3.534 (7)
Eu1—O5ⁱ	2.440 (6)	Cs2—O4^vi	3.534 (7)
Eu1—O4	2.479 (6)	Cs2—Br1ⁱⁱ	3.6701 (13)
Eu1—O4ⁱ	2.479 (6)	Cs2—Br1	3.6701 (13)
Eu1—O1	2.479 (9)	Cs2—Br2^vii	3.7121 (13)
Eu1—O3ⁱ	2.500 (6)	Cs2—Br2^viii	3.7121 (13)
Eu1—O3	2.500 (6)	Cs2—O2^ix	3.738 (12)
Cs1—O2	3.198 (11)	Cs2—Br3^x	3.981 (2)
Cs1—Br1	3.6209 (13)	Cs2—Br3	4.145 (2)
Cs1—Br1ⁱⁱ	3.6209 (13)	Cs2—Cs1^viii	4.9029 (17)
Cs1—Br2	3.6908 (13)	Br2—Cs2ⁱⁱⁱ	3.7121 (13)
Cs1—Br2ⁱⁱ	3.6908 (13)	Br3—Cs1^viii	3.703 (2)
Cs1—Br3	3.696 (2)	Br3—Cs2^xi	3.981 (2)
Cs1—Br3ⁱⁱⁱ	3.703 (2)	O2—Cs2^iv	3.738 (12)
Cs1—Cs2	4.5899 (16)	O4—Cs2^v	3.534 (7)
Cs1—Cs2ⁱⁱⁱ	4.9029 (17)

O6ⁱ—Eu1—O6	134.3 (3)	Cs2ⁱⁱⁱ—Cs1—Cs2^iv	104.18 (3)
O6ⁱ—Eu1—O5	136.9 (2)	O2—Cs2—O4^v	68.60 (15)
O6—Eu1—O5	79.1 (3)	O2—Cs2—O4^vi	68.60 (15)
O6ⁱ—Eu1—O5ⁱ	79.1 (3)	O4^v—Cs2—O4^vi	102.7 (2)
O6—Eu1—O5ⁱ	136.9 (2)	O2—Cs2—Br1ⁱⁱ	60.57 (9)
O5—Eu1—O5ⁱ	91.7 (4)	O4^v—Cs2—Br1ⁱⁱ	128.92 (12)
O6ⁱ—Eu1—O4	79.2 (2)	O4^vi—Cs2—Br1ⁱⁱ	54.94 (11)
O6—Eu1—O4	86.1 (3)	O2—Cs2—Br1	60.57 (9)
O5—Eu1—O4	138.5 (2)	O4^v—Cs2—Br1	54.94 (11)
O5ⁱ—Eu1—O4	73.2 (2)	O4^vi—Cs2—Br1	128.92 (12)
O6ⁱ—Eu1—O4ⁱ	86.1 (3)	Br1ⁱⁱ—Cs2—Br1	100.73 (5)
O6—Eu1—O4ⁱ	79.2 (2)	O2—Cs2—Br2^vii	137.79 (4)
O5—Eu1—O4ⁱ	73.2 (2)	O4^v—Cs2—Br2^vii	80.09 (11)
O5ⁱ—Eu1—O4ⁱ	138.5 (2)	O4^vi—Cs2—Br2^vii	148.67 (12)
O4—Eu1—O4ⁱ	141.4 (3)	Br1ⁱⁱ—Cs2—Br2^vii	144.43 (4)
O6ⁱ—Eu1—O1	67.13 (17)	Br1—Cs2—Br2^vii	78.53 (3)
O6—Eu1—O1	67.13 (17)	O2—Cs2—Br2^viii	137.79 (4)
O5—Eu1—O1	134.13 (19)	O4^v—Cs2—Br2^viii	148.67 (12)
O5ⁱ—Eu1—O1	134.13 (19)	O4^vi—Cs2—Br2^viii	80.09 (11)
O4—Eu1—O1	70.70 (15)	Br1ⁱⁱ—Cs2—Br2^viii	78.53 (3)
O4ⁱ—Eu1—O1	70.70 (15)	Br1—Cs2—Br2^viii	144.43 (4)
O6ⁱ—Eu1—O3ⁱ	67.1 (2)	Br2^vii—Cs2—Br2^viii	82.17 (4)
O6—Eu1—O3ⁱ	142.0 (3)	O2—Cs2—O2^ix	151.24 (4)
O5—Eu1—O3ⁱ	70.5 (2)	O4^v—Cs2—O2^ix	94.35 (16)
O5ⁱ—Eu1—O3ⁱ	67.7 (2)	O4^vi—Cs2—O2^ix	94.35 (16)
O4—Eu1—O3ⁱ	131.9 (2)	Br1ⁱⁱ—Cs2—O2^ix	128.79 (3)
O4ⁱ—Eu1—O3ⁱ	70.8 (2)	Br1—Cs2—O2^ix	128.79 (3)
O1—Eu1—O3ⁱ	120.82 (14)	Br2^vii—Cs2—O2^ix	54.39 (10)
O6ⁱ—Eu1—O3	142.0 (3)	Br2^viii—Cs2—O2^ix	54.39 (10)
O6—Eu1—O3	67.1 (2)	O2—Cs2—Br3^x	70.28 (18)
O5—Eu1—O3	67.7 (2)	O4^v—Cs2—Br3^x	53.09 (11)
O5ⁱ—Eu1—O3	70.5 (2)	O4^vi—Cs2—Br3^x	53.09 (11)
O4—Eu1—O3	70.8 (2)	Br1ⁱⁱ—Cs2—Br3^x	102.54 (3)
O4ⁱ—Eu1—O3	131.9 (2)	Br1—Cs2—Br3^x	102.54 (3)
O1—Eu1—O3	120.82 (14)	Br2^vii—Cs2—Br3^x	112.41 (3)
O3ⁱ—Eu1—O3	118.4 (3)	Br2^viii—Cs2—Br3^x	112.41 (3)
O2—Cs1—Br1	63.74 (11)	O2^ix—Cs2—Br3^x	80.95 (17)
O2—Cs1—Br1ⁱⁱ	63.74 (11)	O2—Cs2—Br3	93.81 (18)
Br1—Cs1—Br1ⁱⁱ	102.63 (4)	O4^v—Cs2—Br3	122.02 (11)
O2—Cs1—Br2	138.53 (2)	O4^vi—Cs2—Br3	122.02 (11)
Br1—Cs1—Br2	149.97 (4)	Br1ⁱⁱ—Cs2—Br3	68.09 (3)
Br1ⁱⁱ—Cs1—Br2	80.44 (3)	Br1—Cs2—Br3	68.09 (3)
O2—Cs1—Br2ⁱⁱ	138.53 (2)	Br2^vii—Cs2—Br3	79.14 (3)
Br1—Cs1—Br2ⁱⁱ	80.44 (3)	Br2^viii—Cs2—Br3	79.14 (3)
Br1ⁱⁱ—Cs1—Br2ⁱⁱ	149.97 (4)	O2^ix—Cs2—Br3	114.96 (17)
Br2—Cs1—Br2ⁱⁱ	82.75 (4)	Br3^x—Cs2—Br3	164.09 (6)
O2—Cs1—Br3	108.4 (2)	O2—Cs2—Cs1	44.06 (18)
Br1—Cs1—Br3	73.78 (3)	O4^v—Cs2—Cs1	95.19 (11)
Br1ⁱⁱ—Cs1—Br3	73.78 (3)	O4^vi—Cs2—Cs1	95.19 (11)
Br2—Cs1—Br3	78.64 (3)	Br1ⁱⁱ—Cs2—Cs1	50.51 (2)
Br2ⁱⁱ—Cs1—Br3	78.64 (3)	Br1—Cs2—Cs1	50.51 (2)
O2—Cs1—Br3ⁱⁱⁱ	92.9 (2)	Br2^vii—Cs2—Cs1	115.81 (3)
Br1—Cs1—Br3ⁱⁱⁱ	117.60 (3)	Br2^viii—Cs2—Cs1	115.81 (3)
Br1ⁱⁱ—Cs1—Br3ⁱⁱⁱ	117.60 (3)	O2^ix—Cs2—Cs1	164.71 (17)
Br2—Cs1—Br3ⁱⁱⁱ	85.45 (3)	Br3^x—Cs2—Cs1	114.34 (4)
Br2ⁱⁱ—Cs1—Br3ⁱⁱⁱ	85.45 (3)	Br3—Cs2—Cs1	49.75 (3)
Br3—Cs1—Br3ⁱⁱⁱ	158.71 (3)	O2—Cs2—Cs1^viii	141.21 (18)
O2—Cs1—Cs2	49.5 (2)	O4^v—Cs2—Cs1^viii	127.02 (11)
Br1—Cs1—Cs2	51.46 (2)	O4^vi—Cs2—Cs1^viii	127.02 (11)
Br1ⁱⁱ—Cs1—Cs2	51.46 (2)	Br1ⁱⁱ—Cs2—Cs1^viii	97.37 (3)
Br2—Cs1—Cs2	121.18 (3)	Br1—Cs2—Cs1^viii	97.37 (3)
Br2ⁱⁱ—Cs1—Cs2	121.18 (3)	Br2^vii—Cs2—Cs1^viii	48.34 (2)
Br3—Cs1—Cs2	58.85 (4)	Br2^viii—Cs2—Cs1^viii	48.34 (2)
Br3ⁱⁱⁱ—Cs1—Cs2	142.44 (4)	O2^ix—Cs2—Cs1^viii	67.55 (17)
O2—Cs1—Cs2ⁱⁱⁱ	148.4 (2)	Br3^x—Cs2—Cs1^viii	148.50 (4)
Br1—Cs1—Cs2ⁱⁱⁱ	127.46 (2)	Br3—Cs2—Cs1^viii	47.41 (3)
Br1ⁱⁱ—Cs1—Cs2ⁱⁱⁱ	127.46 (2)	Cs1—Cs2—Cs1^viii	97.16 (3)
Br2—Cs1—Cs2ⁱⁱⁱ	48.71 (2)	Cs1—Br1—Cs2	78.03 (3)
Br2ⁱⁱ—Cs1—Cs2ⁱⁱⁱ	48.71 (2)	Cs1—Br2—Cs2ⁱⁱⁱ	82.95 (3)
Br3—Cs1—Cs2ⁱⁱⁱ	103.22 (4)	Cs1—Br3—Cs1^viii	148.50 (6)
Br3ⁱⁱⁱ—Cs1—Cs2ⁱⁱⁱ	55.49 (4)	Cs1—Br3—Cs2^xi	124.51 (5)
Cs2—Cs1—Cs2ⁱⁱⁱ	162.07 (3)	Cs1^viii—Br3—Cs2^xi	86.98 (4)
O2—Cs1—Cs2^iv	44.2 (2)	Cs1—Br3—Cs2	71.40 (4)
Br1—Cs1—Cs2^iv	89.47 (3)	Cs1^viii—Br3—Cs2	77.10 (4)
Br1ⁱⁱ—Cs1—Cs2^iv	89.47 (3)	Cs2^xi—Br3—Cs2	164.09 (6)
Br2—Cs1—Cs2^iv	120.54 (3)	Cs1—O2—Cs2	86.4 (2)
Br2ⁱⁱ—Cs1—Cs2^iv	120.54 (3)	Cs1—O2—Cs2^iv	99.1 (3)
Br3—Cs1—Cs2^iv	152.60 (4)	Cs2—O2—Cs2^iv	174.4 (3)
Br3ⁱⁱⁱ—Cs1—Cs2^iv	48.69 (3)	Eu1—O4—Cs2^v	139.5 (3)
Cs2—Cs1—Cs2^iv	93.75 (3)

Br1—Cs1—Cs2—O2	−86.33 (3)	Cs1^viii—Cs2—Br1—Cs1	−93.22 (3)
Br1ⁱⁱ—Cs1—Cs2—O2	86.33 (3)	O2—Cs1—Br2—Cs2ⁱⁱⁱ	−135.9 (3)
Br2—Cs1—Cs2—O2	129.41 (3)	Br1—Cs1—Br2—Cs2ⁱⁱⁱ	95.63 (6)
Br2ⁱⁱ—Cs1—Cs2—O2	−129.41 (3)	Br1ⁱⁱ—Cs1—Br2—Cs2ⁱⁱⁱ	−165.65 (3)
Br3—Cs1—Cs2—O2	180.0	Br2ⁱⁱ—Cs1—Br2—Cs2ⁱⁱⁱ	39.33 (3)
Br3ⁱⁱⁱ—Cs1—Cs2—O2	0.0	Br3—Cs1—Br2—Cs2ⁱⁱⁱ	119.13 (3)
Cs2ⁱⁱⁱ—Cs1—Cs2—O2	180.0	Br3ⁱⁱⁱ—Cs1—Br2—Cs2ⁱⁱⁱ	−46.65 (3)
Cs2^iv—Cs1—Cs2—O2	0.0	Cs2—Cs1—Br2—Cs2ⁱⁱⁱ	161.54 (3)
O2—Cs1—Cs2—O4^v	51.63 (11)	Cs2^iv—Cs1—Br2—Cs2ⁱⁱⁱ	−81.98 (3)
Br1—Cs1—Cs2—O4^v	−34.70 (11)	O2—Cs1—Br3—Cs1^viii	0.0
Br1ⁱⁱ—Cs1—Cs2—O4^v	137.96 (12)	Br1—Cs1—Br3—Cs1^viii	−54.39 (2)
Br2—Cs1—Cs2—O4^v	−178.96 (11)	Br1ⁱⁱ—Cs1—Br3—Cs1^viii	54.39 (2)
Br2ⁱⁱ—Cs1—Cs2—O4^v	−77.78 (12)	Br2—Cs1—Br3—Cs1^viii	137.609 (19)
Br3—Cs1—Cs2—O4^v	−128.37 (11)	Br2ⁱⁱ—Cs1—Br3—Cs1^viii	−137.609 (19)
Br3ⁱⁱⁱ—Cs1—Cs2—O4^v	51.63 (11)	Br3ⁱⁱⁱ—Cs1—Br3—Cs1^viii	180.0
Cs2ⁱⁱⁱ—Cs1—Cs2—O4^v	−128.37 (11)	Cs2—Cs1—Br3—Cs1^viii	0.0
Cs2^iv—Cs1—Cs2—O4^v	51.63 (11)	Cs2ⁱⁱⁱ—Cs1—Br3—Cs1^viii	180.0
O2—Cs1—Cs2—O4^vi	−51.63 (11)	Cs2^iv—Cs1—Br3—Cs1^viii	0.0
Br1—Cs1—Cs2—O4^vi	−137.96 (12)	O2—Cs1—Br3—Cs2^xi	180.0
Br1ⁱⁱ—Cs1—Cs2—O4^vi	34.70 (11)	Br1—Cs1—Br3—Cs2^xi	125.61 (2)
Br2—Cs1—Cs2—O4^vi	77.78 (11)	Br1ⁱⁱ—Cs1—Br3—Cs2^xi	−125.61 (2)
Br2ⁱⁱ—Cs1—Cs2—O4^vi	178.96 (11)	Br2—Cs1—Br3—Cs2^xi	−42.391 (19)
Br3—Cs1—Cs2—O4^vi	128.37 (11)	Br2ⁱⁱ—Cs1—Br3—Cs2^xi	42.391 (19)
Br3ⁱⁱⁱ—Cs1—Cs2—O4^vi	−51.63 (11)	Br3ⁱⁱⁱ—Cs1—Br3—Cs2^xi	0.0
Cs2ⁱⁱⁱ—Cs1—Cs2—O4^vi	128.37 (11)	Cs2—Cs1—Br3—Cs2^xi	180.0
Cs2^iv—Cs1—Cs2—O4^vi	−51.63 (11)	Cs2ⁱⁱⁱ—Cs1—Br3—Cs2^xi	0.0
O2—Cs1—Cs2—Br1ⁱⁱ	−86.33 (3)	Cs2^iv—Cs1—Br3—Cs2^xi	180.0
Br1—Cs1—Cs2—Br1ⁱⁱ	−172.66 (6)	O2—Cs1—Br3—Cs2	0.0
Br2—Cs1—Cs2—Br1ⁱⁱ	43.08 (4)	Br1—Cs1—Br3—Cs2	−54.39 (2)
Br2ⁱⁱ—Cs1—Cs2—Br1ⁱⁱ	144.26 (4)	Br1ⁱⁱ—Cs1—Br3—Cs2	54.39 (2)
Br3—Cs1—Cs2—Br1ⁱⁱ	93.67 (3)	Br2—Cs1—Br3—Cs2	137.609 (19)
Br3ⁱⁱⁱ—Cs1—Cs2—Br1ⁱⁱ	−86.33 (3)	Br2ⁱⁱ—Cs1—Br3—Cs2	−137.609 (19)
Cs2ⁱⁱⁱ—Cs1—Cs2—Br1ⁱⁱ	93.67 (3)	Br3ⁱⁱⁱ—Cs1—Br3—Cs2	180.0
Cs2^iv—Cs1—Cs2—Br1ⁱⁱ	−86.33 (3)	Cs2ⁱⁱⁱ—Cs1—Br3—Cs2	180.0
O2—Cs1—Cs2—Br1	86.33 (3)	Cs2^iv—Cs1—Br3—Cs2	0.0
Br1ⁱⁱ—Cs1—Cs2—Br1	172.66 (6)	O2—Cs2—Br3—Cs1	0.0
Br2—Cs1—Cs2—Br1	−144.26 (4)	O4^v—Cs2—Br3—Cs1	67.06 (13)
Br2ⁱⁱ—Cs1—Cs2—Br1	−43.08 (4)	O4^vi—Cs2—Br3—Cs1	−67.06 (13)
Br3—Cs1—Cs2—Br1	−93.67 (3)	Br1ⁱⁱ—Cs2—Br3—Cs1	−56.11 (2)
Br3ⁱⁱⁱ—Cs1—Cs2—Br1	86.33 (3)	Br1—Cs2—Br3—Cs1	56.11 (2)
Cs2ⁱⁱⁱ—Cs1—Cs2—Br1	−93.67 (3)	Br2^vii—Cs2—Br3—Cs1	138.00 (2)
Cs2^iv—Cs1—Cs2—Br1	86.33 (3)	Br2^viii—Cs2—Br3—Cs1	−138.00 (2)
O2—Cs1—Cs2—Br2^vii	133.11 (3)	O2^ix—Cs2—Br3—Cs1	180.0
Br1—Cs1—Cs2—Br2^vii	46.79 (4)	Br3^x—Cs2—Br3—Cs1	0.0
Br1ⁱⁱ—Cs1—Cs2—Br2^vii	−140.56 (4)	Cs1^viii—Cs2—Br3—Cs1	180.0
Br2—Cs1—Cs2—Br2^vii	−97.47 (4)	O2—Cs2—Br3—Cs1^viii	180.0
Br2ⁱⁱ—Cs1—Cs2—Br2^vii	3.70 (4)	O4^v—Cs2—Br3—Cs1^viii	−112.94 (13)
Br3—Cs1—Cs2—Br2^vii	−46.89 (3)	O4^vi—Cs2—Br3—Cs1^viii	112.94 (13)
Br3ⁱⁱⁱ—Cs1—Cs2—Br2^vii	133.11 (3)	Br1ⁱⁱ—Cs2—Br3—Cs1^viii	123.89 (2)
Cs2ⁱⁱⁱ—Cs1—Cs2—Br2^vii	−46.89 (3)	Br1—Cs2—Br3—Cs1^viii	−123.89 (2)
Cs2^iv—Cs1—Cs2—Br2^vii	133.11 (3)	Br2^vii—Cs2—Br3—Cs1^viii	−42.00 (2)
O2—Cs1—Cs2—Br2^viii	−133.11 (3)	Br2^viii—Cs2—Br3—Cs1^viii	42.00 (2)
Br1—Cs1—Cs2—Br2^viii	140.56 (4)	O2^ix—Cs2—Br3—Cs1^viii	0.0
Br1ⁱⁱ—Cs1—Cs2—Br2^viii	−46.79 (4)	Br3^x—Cs2—Br3—Cs1^viii	180.0
Br2—Cs1—Cs2—Br2^viii	−3.70 (4)	Cs1—Cs2—Br3—Cs1^viii	180.0
Br2ⁱⁱ—Cs1—Cs2—Br2^viii	97.47 (4)	O2—Cs2—Br3—Cs2^xi	180.0
Br3—Cs1—Cs2—Br2^viii	46.89 (3)	O4^v—Cs2—Br3—Cs2^xi	−112.94 (13)
Br3ⁱⁱⁱ—Cs1—Cs2—Br2^viii	−133.11 (3)	O4^vi—Cs2—Br3—Cs2^xi	112.94 (13)
Cs2ⁱⁱⁱ—Cs1—Cs2—Br2^viii	46.89 (3)	Br1ⁱⁱ—Cs2—Br3—Cs2^xi	123.89 (2)
Cs2^iv—Cs1—Cs2—Br2^viii	−133.11 (3)	Br1—Cs2—Br3—Cs2^xi	−123.89 (2)
O2—Cs1—Cs2—O2^ix	180.0	Br2^vii—Cs2—Br3—Cs2^xi	−42.00 (2)
Br1—Cs1—Cs2—O2^ix	93.67 (3)	Br2^viii—Cs2—Br3—Cs2^xi	42.00 (2)
Br1ⁱⁱ—Cs1—Cs2—O2^ix	−93.67 (3)	O2^ix—Cs2—Br3—Cs2^xi	0.0
Br2—Cs1—Cs2—O2^ix	−50.59 (3)	Br3^x—Cs2—Br3—Cs2^xi	180.0
Br2ⁱⁱ—Cs1—Cs2—O2^ix	50.59 (3)	Cs1—Cs2—Br3—Cs2^xi	180.0
Br3—Cs1—Cs2—O2^ix	0.0	Cs1^viii—Cs2—Br3—Cs2^xi	0.0
Br3ⁱⁱⁱ—Cs1—Cs2—O2^ix	180.0	Br1—Cs1—O2—Cs2	60.51 (10)
Cs2ⁱⁱⁱ—Cs1—Cs2—O2^ix	0.0	Br1ⁱⁱ—Cs1—O2—Cs2	−60.51 (10)
Cs2^iv—Cs1—Cs2—O2^ix	180.0	Br2—Cs1—O2—Cs2	−93.6 (3)
O2—Cs1—Cs2—Br3^x	0.0	Br2ⁱⁱ—Cs1—O2—Cs2	93.6 (3)
Br1—Cs1—Cs2—Br3^x	−86.33 (3)	Br3—Cs1—O2—Cs2	0.0
Br1ⁱⁱ—Cs1—Cs2—Br3^x	86.33 (3)	Br3ⁱⁱⁱ—Cs1—O2—Cs2	180.0
Br2—Cs1—Cs2—Br3^x	129.41 (3)	Cs2ⁱⁱⁱ—Cs1—O2—Cs2	180.0
Br2ⁱⁱ—Cs1—Cs2—Br3^x	−129.41 (3)	Cs2^iv—Cs1—O2—Cs2	180.0
Br3—Cs1—Cs2—Br3^x	180.0	Br1—Cs1—O2—Cs2^iv	−119.49 (10)
Br3ⁱⁱⁱ—Cs1—Cs2—Br3^x	0.0	Br1ⁱⁱ—Cs1—O2—Cs2^iv	119.49 (10)
Cs2ⁱⁱⁱ—Cs1—Cs2—Br3^x	180.0	Br2—Cs1—O2—Cs2^iv	86.4 (3)
Cs2^iv—Cs1—Cs2—Br3^x	0.0	Br2ⁱⁱ—Cs1—O2—Cs2^iv	−86.4 (3)
O2—Cs1—Cs2—Br3	180.0	Br3—Cs1—O2—Cs2^iv	180.0
Br1—Cs1—Cs2—Br3	93.67 (3)	Br3ⁱⁱⁱ—Cs1—O2—Cs2^iv	0.0
Br1ⁱⁱ—Cs1—Cs2—Br3	−93.67 (3)	Cs2—Cs1—O2—Cs2^iv	180.0
Br2—Cs1—Cs2—Br3	−50.59 (3)	Cs2ⁱⁱⁱ—Cs1—O2—Cs2^iv	0.0
Br2ⁱⁱ—Cs1—Cs2—Br3	50.59 (3)	O4^v—Cs2—O2—Cs1	−123.00 (13)
Br3ⁱⁱⁱ—Cs1—Cs2—Br3	180.0	O4^vi—Cs2—O2—Cs1	123.00 (13)
Cs2ⁱⁱⁱ—Cs1—Cs2—Br3	0.0	Br1ⁱⁱ—Cs2—O2—Cs1	62.16 (9)
Cs2^iv—Cs1—Cs2—Br3	180.0	Br1—Cs2—O2—Cs1	−62.16 (9)
O2—Cs1—Cs2—Cs1^viii	180.0	Br2^vii—Cs2—O2—Cs1	−78.0 (2)
Br1—Cs1—Cs2—Cs1^viii	93.67 (3)	Br2^viii—Cs2—O2—Cs1	78.0 (2)
Br1ⁱⁱ—Cs1—Cs2—Cs1^viii	−93.67 (3)	O2^ix—Cs2—O2—Cs1	180.0
Br2—Cs1—Cs2—Cs1^viii	−50.59 (3)	Br3^x—Cs2—O2—Cs1	180.0
Br2ⁱⁱ—Cs1—Cs2—Cs1^viii	50.59 (3)	Br3—Cs2—O2—Cs1	0.0
Br3—Cs1—Cs2—Cs1^viii	0.0	Cs1^viii—Cs2—O2—Cs1	0.0
Br3ⁱⁱⁱ—Cs1—Cs2—Cs1^viii	180.0	O4^v—Cs2—O2—Cs2^iv	57.00 (13)
Cs2ⁱⁱⁱ—Cs1—Cs2—Cs1^viii	0.0	O4^vi—Cs2—O2—Cs2^iv	−57.00 (13)
Cs2^iv—Cs1—Cs2—Cs1^viii	180.0	Br1ⁱⁱ—Cs2—O2—Cs2^iv	−117.84 (9)
O2—Cs1—Br1—Cs2	−57.8 (2)	Br1—Cs2—O2—Cs2^iv	117.84 (9)
Br1ⁱⁱ—Cs1—Br1—Cs2	−5.88 (4)	Br2^vii—Cs2—O2—Cs2^iv	102.0 (2)
Br2—Cs1—Br1—Cs2	86.84 (7)	Br2^viii—Cs2—O2—Cs2^iv	−102.0 (2)
Br2ⁱⁱ—Cs1—Br1—Cs2	143.66 (3)	O2^ix—Cs2—O2—Cs2^iv	0.0
Br3—Cs1—Br1—Cs2	62.81 (4)	Br3^x—Cs2—O2—Cs2^iv	0.0
Br3ⁱⁱⁱ—Cs1—Br1—Cs2	−136.65 (4)	Br3—Cs2—O2—Cs2^iv	180.0
Cs2ⁱⁱⁱ—Cs1—Br1—Cs2	157.23 (4)	Cs1—Cs2—O2—Cs2^iv	180.0
Cs2^iv—Cs1—Br1—Cs2	−95.22 (2)	Cs1^viii—Cs2—O2—Cs2^iv	180.0
O2—Cs2—Br1—Cs1	52.83 (18)	O6ⁱ—Eu1—O4—Cs2^v	−10.7 (4)
O4^v—Cs2—Br1—Cs1	136.17 (14)	O6—Eu1—O4—Cs2^v	125.8 (4)
O4^vi—Cs2—Br1—Cs1	59.01 (15)	O5—Eu1—O4—Cs2^v	−165.5 (3)
Br1ⁱⁱ—Cs2—Br1—Cs1	5.76 (4)	O5ⁱ—Eu1—O4—Cs2^v	−92.5 (4)
Br2^vii—Cs2—Br1—Cs1	−137.97 (4)	O4ⁱ—Eu1—O4—Cs2^v	58.7 (3)
Br2^viii—Cs2—Br1—Cs1	−79.48 (6)	O1—Eu1—O4—Cs2^v	58.7 (3)
O2^ix—Cs2—Br1—Cs1	−160.3 (2)	O3ⁱ—Eu1—O4—Cs2^v	−55.9 (5)
Br3^x—Cs2—Br1—Cs1	111.34 (4)	O3—Eu1—O4—Cs2^v	−167.2 (4)
Br3—Cs2—Br1—Cs1	−55.18 (3)

Symmetry codes: (i) x, −y+1/2, −z; (ii) x, y, −z+1/2; (iii) −x+1, y+1/2, z; (iv) −x, y+1/2, z; (v) −x, −y, −z; (vi) −x, −y, z+1/2; (vii) −x+1, y−1/2, −z+1/2; (viii) −x+1, y−1/2, z; (ix) −x, y−1/2, z; (x) x−1, y, z; (xi) x+1, y, z.

Experimental details

	(k4mxp)	(k1masc)
Crystal data
Chemical formula	Br₃CsEu	H₂₀Br₅Cs₂EuO₁₀
M_r	524.60	997.49
Crystal system, space group	Orthorhombic, Pbnm	Orthorhombic, Pbcm
Temperature (K)	299	299
a, b, c (Å)	8.242 (2), 8.3027 (18), 11.785 (2)	8.047 (2), 13.998 (3), 19.558 (2)
V (Å³)	806.5 (3)	2203.1 (8)
Z	4	4
Radiation type	Mo Kα	Mo Kα
µ (mm⁻¹)	26.97	15.20
Crystal size (mm)	0.05 × 0.04 × 0.03	0.07 × 0.05 × 0.05

Data collection
Diffractometer	Oxford Diffraction Xcalibur (TM) diffractometer	Oxford Diffraction Xcalibur (TM) diffractometer
Absorption correction	Multi-scan	Multi-scan
T_min, T_max	0.244, 0.532	0.456, 0.610
No. of measured, independent and observed [I > 2σ(I)] reflections	2878, 1051, 421	9144, 2488, 1231
R_int	0.091	0.075
(sin θ/λ)_max (Å⁻¹)	0.701	0.653

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.039, 0.092, 0.83	0.054, 0.098, 0.93
No. of reflections	1051	2488
No. of parameters	28	89
H-atom treatment	–	H atoms treated by a mixture of independent and constrained refinement
Δρ_max, Δρ_min (e Å⁻³)	2.08, −1.57	1.42, −1.07

Computer programs: SHELXS97 (Sheldrick, 1990), SHELXL97 (Sheldrick, 1997).

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