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#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/45/9014522.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_9014522
loop_
_publ_author_name
'Guesdon, A.'
'Borel, M.'
'Leclaire, A.'
'Grandin, A.'
'Raveau, B.'
_publ_section_title
;
 A series of Mixed-valent Molybdenum Monophosphates, Isotypic with
 Leucophosphite Represented by CsMo2P2O10 and
 K1.5Mo2P2O10.H2O
 _cod_database_code 1001553
;
_journal_name_full
'Zeitschrift fur Anorganische und Allgemeine Chemie'
_journal_page_first              1841
_journal_page_last               1849
_journal_volume                  619
_journal_year                    1993
_chemical_formula_sum            'Cs0.5 Mo O5 P'
_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                 127.38
_cell_angle_gamma                90
_cell_length_a                   9.428
_cell_length_b                   9.943
_cell_length_c                   12.348
_cell_formula_units_Z            8
_cell_volume                     919.807
_database_code_amcsd             0015801
_exptl_crystal_density_diffrn    3.948
_cod_original_formula_sum        'Mo Cs.5 P O5'
_cod_database_code               9014522
_amcsd_formula_title             'Cs Mo2 O10 P2'
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_occupancy
Mo1 0.23548 0.19384 0.15500 1.00000
Mo2 -0.00706 0.02639 0.40116 1.00000
Cs1 0.67813 0.18176 0.02814 0.90000
Cs2 0.63970 0.26430 0.08070 0.10000
P1 0.14430 0.30640 0.35150 1.00000
P2 0.62120 0.00130 0.33560 1.00000
O1 0.07680 0.08300 0.11000 1.00000
O2 0.27800 0.25510 0.32780 1.00000
O3 0.25390 0.15320 0.00290 1.00000
O4 0.05500 0.34900 0.05140 1.00000
O5 0.45810 0.08570 0.28080 1.00000
O6 0.42700 0.35600 0.20900 1.00000
O7 0.00930 0.19700 0.31670 1.00000
O8 -0.04510 -0.07090 0.24010 1.00000
O9 0.25350 -0.01060 0.50550 1.00000
O10 -0.26980 0.06090 0.28890 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015801
_cod_duplicate_entry 1001553
