#------------------------------------------------------------------------------
#$Date: 2024-05-23 11:45:01 +0200 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/9/01/45/9014586.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_9014586
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 1001554
;
_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            'K3 Mo4 O22 P4'
_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                 128.73
_cell_angle_gamma                90
_cell_length_a                   9.721
_cell_length_b                   9.805
_cell_length_c                   12.329
_cell_formula_units_Z            2
_cell_volume                     916.723
_database_code_amcsd             0015802
_exptl_crystal_density_diffrn    3.539
_cod_original_formula_sum        'Mo4 K3 P4 O22'
_cod_database_code               9014586
_amcsd_formula_title             'H2 K1.5 Mo2 O11 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
Mo1 0.24381 0.19915 0.16639
Mo2 -0.01509 0.03244 0.39774
K1 0.50000 0.00000 0.00000
K2 0.68340 0.34720 0.15380
P1 0.15110 0.30980 0.36000
P2 0.62780 0.01240 0.34150
O1 0.10310 0.07240 0.12360
O2 0.28250 0.25550 0.34060
O3 0.26640 0.16060 0.01830
O4 0.06220 0.35010 0.05890
O5 0.46600 0.09330 0.29880
O6 0.42800 0.36850 0.21720
O7 0.00370 0.21050 0.31440
O8 -0.07070 -0.05820 0.22250
O9 0.24340 -0.00760 0.49610
O10 -0.27970 0.08370 0.29020
O11 0.72390 0.33110 0.50630
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015802
