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#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section B. It has been peer reviewed under the auspices  #
# of the IUCr Commission on Journals.                                        #
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# are given in the paper "The Crystallographic Information File (CIF):       #
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# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
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# The current version of the core CIF dictionary may be obtained from        #
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# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
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data_SbTe
_audit_creation_method     ?
_publ_contact_author_name     'Dr Kouichi Kifune'
_publ_contact_author_address
;
      Department of Environmental Sciences
      Faculty of Science
      Osaka Women's University
      Sakai, Osaka 590-0035
      Japan
;
_publ_contact_author_email     'kifune@center.osaka-wu.ac.jp'
_publ_contact_author_fax     ' +81-72-222-4791 '
_publ_contact_author_phone     ' +81-72-222-4811 '
_publ_section_title
;
Extremely long period stacking structure in Sb-Te binary system
;
loop_
    _publ_author_name
    _publ_author_address
    'Kifune, Kouichi'
;     Department of Environmental Sciences
      Faculty of Science
      Osaka Women's University
      Sakai, Osaka 590-0035
      Japan
;
    'Kubota, Yoshiki'
;     Department of Environmental Sciences
      Faculty of Science
      Osaka Women's University
      Sakai, Osaka 590-0035
      Japan
;
    'Matsunaga, Toshiyuki'
;     Characterization Technology Group
      Matsushita Technoresearch Inc.
      Moriguchi, Osaka 570-8501
      Japan
;
    'Yamada, Noboru'
;     Storage Media Systems Development Center
      Matsushita Electric Industrial Co., Ltd.
      Moriguchi, Osaka 570-8501
      Japan
;
_publ_section_synopsis
;
;
data_Sb72Te28
_chemical_name_common     ?
_chemical_formula_moiety     '?'
_chemical_formula_sum     ?
_chemical_formula_structural     'Sb8 Te3'
_chemical_formula_analytical     'Sb72 Te28'
_chemical_formula_iupac     ?
_chemical_formula_weight     ?
_chemical_melting_point     ?
_symmetry_cell_setting     trigonal
_symmetry_space_group_name_H-M     'R -3 m:h'
_symmetry_space_group_name_Hall     '-R 3 2"'
loop_
    _symmetry_equiv_pos_site_id
    _symmetry_equiv_pos_as_xyz
    1 'x,y,z'
    2 '-y,x-y,z'
    3 '-x+y,-x,z'
    4 'y,x,-z'
    5 'x-y,-y,-z'
    6 '-x,-x+y,-z'
    7 '-x,-y,-z'
    8 'y,-x+y,-z'
    9 'x-y,x,-z'
    10 '-y,-x,z'
    11 '-x+y,y,z'
    12 'x,x-y,z'
    13 '2/3+x,1/3+y,1/3+z'
    14 '2/3-y,1/3+x-y,1/3+z'
    15 '2/3-x+y,1/3-x,1/3+z'
    16 '2/3+y,1/3+x,1/3-z'
    17 '2/3+x-y,1/3-y,1/3-z'
    18 '2/3-x,1/3-x+y,1/3-z'
    19 '2/3-x,1/3-y,1/3-z'
    20 '2/3+y,1/3-x+y,1/3-z'
    21 '2/3+x-y,1/3+x,1/3-z'
    22 '2/3-y,1/3-x,1/3+z'
    23 '2/3-x+y,1/3+y,1/3+z'
    24 '2/3+x,1/3+x-y,1/3+z'
    25 '1/3+x,2/3+y,2/3+z'
    26 '1/3-y,2/3+x-y,2/3+z'
    27 '1/3-x+y,2/3-x,2/3+z'
    28 '1/3+y,2/3+x,2/3-z'
    29 '1/3+x-y,2/3-y,2/3-z'
    30 '1/3-x,2/3-x+y,2/3-z'
    31 '1/3-x,2/3-y,2/3-z'
    32 '1/3+y,2/3-x+y,2/3-z'
    33 '1/3+x-y,2/3+x,2/3-z'
    34 '1/3-y,2/3-x,2/3+z'
    35 '1/3-x+y,2/3+y,2/3+z'
    36 '1/3+x,2/3+x-y,2/3+z'
_cell_length_a     4.27125(2)
_cell_length_b     4.27125(2)
_cell_length_c     63.8957(6)
_cell_angle_alpha     90.00000
_cell_angle_beta     90.00000
_cell_angle_gamma     120.00000
_cell_volume     1009.510(10)
_cell_formula_units_Z     ?
_cell_measurement_temperature     90.0
_exptl_crystal_colour     'silver'
_exptl_crystal_density_diffrn     ?
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     ?
_exptl_absorpt_coefficient_mu     ?
_exptl_absorpt_correction_type     ?
_exptl_absorpt_correction_T_min     ?
_exptl_absorpt_correction_T_max     ?
_diffrn_ambient_temperature     90
_diffrn_radiation_type     'synchrotron'
_diffrn_radiation_wavelength     0.42137
_diffrn_radiation_monochromator     'Si'
_diffrn_measurement_device_type     'Debye-Scherrer'
_refine_ls_structure_factor_coef     Inet
_refine_ls_matrix_type     ?
_refine_ls_goodness_of_fit_all     3.06
_refine_ls_number_parameters     ?
_refine_ls_number_constraints     ?
_refine_ls_hydrogen_treatment     noref
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details     'calc w=1/[Yi]'
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_thermal_displace_type
    _atom_site_occupancy
    _atom_site_type_symbol
    Te1 0.000000 0.000000 0.000000 Biso 1.0 Te
    Sb1 0.333333 0.666667 0.03290(4) Biso 1.0 Sb
    Te2 0.666667 0.333333 0.05840(3) Biso 1.0 Te
    Sb2 0.000000 0.000000 0.09430(4) Biso 1.0 Sb
    Sb3 0.333333 0.666667 0.11846(4) Biso 1.0 Sb
    Sb4 0.666667 0.333333 0.15457(4) Biso 1.0 Sb
data_Sb85Te15
_chemical_name_common     ?
_chemical_formula_moiety     '?'
_chemical_formula_sum     ?
_chemical_formula_structural     'Sb16 Te3'
_chemical_formula_analytical     'Sb85 Te15'
_chemical_formula_iupac     ?
_chemical_formula_weight     ?
_chemical_melting_point     ?
_symmetry_cell_setting     trigonal
_symmetry_space_group_name_H-M     'R -3 m:h'
_symmetry_space_group_name_Hall     '-R 3 2"'
loop_
    _symmetry_equiv_pos_site_id
    _symmetry_equiv_pos_as_xyz
    1 'x,y,z'
    2 '-y,x-y,z'
    3 '-x+y,-x,z'
    4 'y,x,-z'
    5 'x-y,-y,-z'
    6 '-x,-x+y,-z'
    7 '-x,-y,-z'
    8 'y,-x+y,-z'
    9 'x-y,x,-z'
    10 '-y,-x,z'
    11 '-x+y,y,z'
    12 'x,x-y,z'
    13 '2/3+x,1/3+y,1/3+z'
    14 '2/3-y,1/3+x-y,1/3+z'
    15 '2/3-x+y,1/3-x,1/3+z'
    16 '2/3+y,1/3+x,1/3-z'
    17 '2/3+x-y,1/3-y,1/3-z'
    18 '2/3-x,1/3-x+y,1/3-z'
    19 '2/3-x,1/3-y,1/3-z'
    20 '2/3+y,1/3-x+y,1/3-z'
    21 '2/3+x-y,1/3+x,1/3-z'
    22 '2/3-y,1/3-x,1/3+z'
    23 '2/3-x+y,1/3+y,1/3+z'
    24 '2/3+x,1/3+x-y,1/3+z'
    25 '1/3+x,2/3+y,2/3+z'
    26 '1/3-y,2/3+x-y,2/3+z'
    27 '1/3-x+y,2/3-x,2/3+z'
    28 '1/3+y,2/3+x,2/3-z'
    29 '1/3+x-y,2/3-y,2/3-z'
    30 '1/3-x,2/3-x+y,2/3-z'
    31 '1/3-x,2/3-y,2/3-z'
    32 '1/3+y,2/3-x+y,2/3-z'
    33 '1/3+x-y,2/3+x,2/3-z'
    34 '1/3-y,2/3-x,2/3+z'
    35 '1/3-x+y,2/3+y,2/3+z'
    36 '1/3+x,2/3+x-y,2/3+z'
_cell_length_a     4.28168(2)
_cell_length_b     4.28168(2)
_cell_length_c     108.7017(8)
_cell_angle_alpha     90.00000
_cell_angle_beta     90.00000
_cell_angle_gamma     120.00000
_cell_volume     1725.82(2)
_cell_formula_units_Z     ?
_cell_measurement_temperature     90.0
_exptl_crystal_colour     'silver'
_exptl_crystal_density_diffrn     ?
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     ?
_exptl_absorpt_coefficient_mu     ?
_exptl_absorpt_correction_type     ?
_exptl_absorpt_correction_T_min     ?
_exptl_absorpt_correction_T_max     ?
_diffrn_ambient_temperature     90
_diffrn_radiation_type     'synchrotron'
_diffrn_radiation_wavelength     0.42137
_diffrn_radiation_monochromator     'Si'
_diffrn_measurement_device_type     'Debye-Scherrer'
_refine_ls_structure_factor_coef     Inet
_refine_ls_matrix_type     ?
_refine_ls_goodness_of_fit_all     2.75
_refine_ls_number_parameters     ?
_refine_ls_number_constraints     ?
_refine_ls_hydrogen_treatment     noref
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details     'calc w=1/[Yi]'
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_thermal_displace_type
    _atom_site_occupancy
    _atom_site_type_symbol
    Te1 0.000000 0.000000 0.000000 Biso 1.0 Te
    Sb1 0.666667 0.333333 0.01902(3) Biso 1.0 Sb
    Te2 0.333333 0.666667 0.03413(3) Biso 1.0 Te
    Sb2 0.000000 0.000000 0.05560(3) Biso 1.0 Sb
    Sb3 0.666667 0.333333 0.06931(3) Biso 1.0 Sb
    Sb4 0.333333 0.666667 0.08982(3) Biso 1.0 Sb
    Sb5 0.000000 0.000000 0.10426(3) Biso 1.0 Sb
    Sb6 0.666667 0.333333 0.12508(3) Biso 1.0 Sb
    Sb7 0.333333 0.666667 0.13886(3) Biso 1.0 Sb
    Sb8 0.000000 0.000000 0.15972(3) Biso 1.0 Sb
