#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/79/9007944.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_9007944
loop_
_publ_author_name
'Kolitsch, U.'
'Tillmanns, E.'
_publ_section_title
;
 Bi3ScMo2O12: the difference from Bi3FeMo2O12
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i43
_journal_page_last               i46
_journal_paper_doi               10.1107/S160053680300374X
_journal_volume                  59
_journal_year                    2003
_chemical_formula_structural     Bi3ScMo2O12
_chemical_formula_sum            'Bi3.041 Mo2 O12 Sc0.959'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.67
_cell_angle_gamma                90
_cell_length_a                   16.996
_cell_length_b                   11.601
_cell_length_c                   5.3190
_cell_formula_units_Z            4
_cell_volume                     1014.562
_database_code_amcsd             0010402
_exptl_crystal_density_diffrn    6.956
_cod_original_formula_sum        'Bi3.041 Sc.959 Mo2 O12'
_cod_database_code               9007944
_amcsd_formula_title             Bi3ScMo2O12
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Bi1 0.15448 0.88157 0.42921 1.00000 0.00517
Bi2 0.00000 0.66224 0.25000 1.00000 0.00605
Sc3 0.00000 0.09325 0.25000 0.95890 0.00630
Bi3 0.00000 0.09325 0.25000 0.04110 0.00630
Mo 0.16858 0.37156 0.42735 1.00000 0.00543
O1 0.08237 0.02380 0.58710 1.00000 0.00610
O2 0.05005 0.20550 0.02790 1.00000 0.00840
O3 0.21650 0.28770 0.23300 1.00000 0.01110
O4 0.11628 0.28250 0.61960 1.00000 0.00930
O5 0.09480 0.45560 0.22250 1.00000 0.01440
O6 0.24660 0.45440 0.63060 1.00000 0.01220
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010402
