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#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/77/9007787.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9007787
loop_
_publ_author_name
'Gougeon, P.'
'Potel, M.'
'Sergent, M.'
_publ_section_title
;
 Structure of SnMo5O8 containing bioctahedral Mo10 clusters
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1188
_journal_page_last               1190
_journal_paper_doi               10.1107/S0108270189010759
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     SnMo5O8
_chemical_formula_sum            'Mo5 O8 Sn'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.73
_cell_angle_gamma                90
_cell_length_a                   7.533
_cell_length_b                   9.268
_cell_length_c                   9.970
_cell_formula_units_Z            4
_cell_volume                     655.201
_database_code_amcsd             0010149
_exptl_crystal_density_diffrn    7.364
_cod_original_formula_sum        'Sn Mo5 O8'
_cod_database_code               9007787
_amcsd_formula_title             SnMo5O8
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Sn 0.26701 0.51884 0.52159 0.01469
Mo1 0.61071 -0.11470 0.48243 0.00287
Mo2 0.38293 -0.11723 0.68149 0.00280
Mo3 0.17715 -0.12160 0.38412 0.00258
Mo4 0.80961 -0.13067 0.29737 0.00242
Mo5 -0.00029 -0.12236 0.58542 0.00255
O1 0.40180 0.00510 0.84980 0.00469
O2 0.00470 -0.23170 0.93060 0.00481
O3 -0.01520 0.00360 0.23580 0.00608
O4 0.39770 -0.25630 0.01860 0.00469
O5 0.79990 -0.25030 0.11970 0.00659
O6 0.20320 -0.25200 0.22010 0.00545
O7 0.59940 -0.24350 0.82470 0.00545
O8 0.38740 -0.00030 0.33400 0.00583
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010149
