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#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/60/9016001.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_9016001
loop_
_publ_author_name
'Biot, C.'
'Leclaire, A.'
'Borel, M.'
'Raveau, B.'
_publ_section_title
;
 Revised crystal structure of molybdenum hydroxymonophosphate,
 (MoO2).(H2O).(P(O3OH))
 _cod_database_code 1001833
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              792
_journal_page_last               794
_journal_volume                  212
_journal_year                    1997
_chemical_formula_sum            'Mo O7 P'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.13
_cell_angle_gamma                90
_cell_length_a                   6.758
_cell_length_b                   6.339
_cell_length_c                   7.054
_cell_volume                     283.727
_database_code_amcsd             0011073
_exptl_crystal_density_diffrn    2.796
_cod_original_formula_sum        'Mo P O7'
_cod_database_code               9016001
_amcsd_formula_title             'H3 Mo O7 P'
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mo1 0.27780 0.25000 0.17480
P1 0.34240 0.75000 0.33480
O1 0.04600 0.25000 0.21400
O2 0.19700 0.25000 -0.08500
O3 0.32500 0.56160 0.19720
O4 0.46300 0.25000 0.48400
O5 0.61000 0.25000 0.16600
O6 0.15300 0.75000 0.41600