#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/79/9007922.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_9007922
loop_
_publ_author_name
'Gougeon, P.'
'Gall, P.'
_publ_section_title
;
 CaMo5O8
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i65
_journal_page_last               i67
_journal_volume                  58
_journal_year                    2002
_chemical_formula_structural     CaMo5O8
_chemical_formula_sum            'Ca Mo5 O8'
_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                 110.07
_cell_angle_gamma                90
_cell_length_a                   7.550
_cell_length_b                   9.068
_cell_length_c                   9.983
_cell_formula_units_Z            4
_cell_volume                     641.966
_exptl_crystal_density_diffrn    6.702
_cod_database_code               9007922
loop_
_symmetry_equiv_pos_as_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
Ca 0.26502 0.50520 0.52649 0.01094
Mo1 0.61063 -0.11555 0.48386 0.00331
Mo2 0.38311 -0.11560 0.68223 0.00319
Mo3 0.17729 -0.12651 0.38673 0.00322
Mo4 0.81176 -0.13391 0.30011 0.00319
Mo5 0.00045 -0.12368 0.58644 0.00299
O1 0.39940 0.00790 0.84170 0.00440
O2 0.00730 -0.22120 0.93610 0.00440
O3 -0.01330 0.00070 0.23660 0.00490
O4 0.40090 -0.25320 0.02050 0.00470
O5 0.80110 -0.24580 0.11750 0.00560
O6 0.20550 -0.24690 0.21700 0.00540
O7 0.60660 -0.23390 0.83090 0.00510
O8 0.38420 -0.00140 0.33260 0.00550
_journal_paper_doi 10.1107/S1600536802010218
_cod_duplicate_entry 2201242
