Design in solid state chemistry based on phase homologies. Sb4Te3 and Sb8Te9 as new members of the series (Sb2Te3)m.(Sb2)n.
Poudeu, Pierre F. P.; Kanatzidis, Mercouri G.; Chemical communications (Cambridge, England)  (2005) 2672–2674; doi:10.1039/b500695c

data_7113353
_publ_section_title
;
 Design in solid state chemistry based on phase homologies. Sb4Te3 and
 Sb8Te9 as new members of the series (Sb2Te3)m.(Sb2)n.
;
_journal_issue                   21
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              2672
_journal_page_last               2674
_journal_paper_doi               10.1039/b500695c
_journal_year                    2005
_chemical_formula_sum            'Sb4 Te3'
_chemical_formula_weight         869.8
_chemical_melting_point          813.15
_chemical_name_systematic
;
antimony telluride (4/3)
;
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   4.2754(6)
_cell_length_b                   4.2754(6)
_cell_length_c                   83.564(2)
_cell_measurement_reflns_used    4015
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26
_cell_measurement_theta_min      1.15
_cell_volume                     1322.8(3)
_computing_cell_refinement       'Cell (STOE & Cie GmbH, 2003)'
_computing_data_collection       'WinXpose (STOE & Cie GmbH, 2003)'
_computing_data_reduction        'Integrate (STOE & Cie GmbH, 2003)'
_computing_molecular_graphics    'Diamond (Brandenburg, 1995)'
_computing_publication_material  'Shelxl-97 and Diamond'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type  'IPDS-II (STOE)'
_diffrn_measurement_method       'incremental omega oscillation 0.7\%'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0949
_diffrn_reflns_av_sigmaI/netI    0.0277
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -4
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       102
_diffrn_reflns_limit_l_min       -102
_diffrn_reflns_number            4015
_diffrn_reflns_theta_full        25.90
_diffrn_reflns_theta_max         25.90
_diffrn_reflns_theta_min         2.19
_diffrn_standards_interval_count 0.7\%
_diffrn_standards_interval_time  '2 min'
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    21.753
_exptl_absorpt_correction_T_max  0.1937
_exptl_absorpt_correction_T_min  0.0536
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
crystal description with a video camera using FacietVideo
(STOE & Cie GmbH, 2002) and optimized with X-SHAPE
(STOE & Cie GmbH, 1999) using a set of equivalent reflections
;
_exptl_crystal_colour            silver-like
_exptl_crystal_density_diffrn    6.551
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             2160
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.076
_refine_diff_density_max         1.916
_refine_diff_density_min         -1.526
_refine_diff_density_rms         0.309
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.905
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     22
_refine_ls_number_reflns         407
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.905
_refine_ls_R_factor_all          0.0663
_refine_ls_R_factor_gt           0.0410
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0639P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0964
_refine_ls_wR_factor_ref         0.1064
_reflns_number_gt                253
_reflns_number_total             407
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b500695c.txt
_cod_data_source_block           Sb4Te3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '540\% C' was changed to '813.15' -
it was converted from degrees Celsius(C) to
Kelvins(K).

'_symmetry_cell_setting' value 'Trigonal' changed to
'trigonal' according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        1322.8(4)
_cod_original_sg_symbol_H-M      R-3m
_cod_database_code               7113353