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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/97/1529759.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1529759
loop_
_publ_author_name
'Chen, J.J.'
'Lii, K.-H.'
'Wang, S.-L.'
_publ_section_title
;
 A New Mo5+ Phosphate with a Tunnel Structure: gamma Cs Mo2 P3 O13
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              204
_journal_page_last               209
_journal_volume                  76
_journal_year                    1988
_chemical_formula_sum            'Cs Mo2 O13 P3'
_chemical_name_systematic        'Cs (Mo2 P3 O13)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                83.083
_cell_angle_beta                 97.42
_cell_angle_gamma                108.3
_cell_formula_units_Z            2
_cell_length_a                   6.342
_cell_length_b                   9.676
_cell_length_c                   10.0349
_cell_volume                     577.664
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Chen_JSSCBI_1988_1645.cif
_cod_data_source_block           Cs1Mo2O13P3
_cod_original_cell_volume        577.6636
_cod_original_formula_sum        'Cs1 Mo2 O13 P3'
_cod_database_code               1529759
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
P2 P+5 0.29853 -0.00032 0.13486 1 0.0
O10 O-2 0.2328 0.3163 0.5224 1 0.0
O1 O-2 -0.1656 0.6654 0.2367 1 0.0
O5 O-2 0.165 0.7183 0.4462 1 0.0
O12 O-2 0.2758 0.8393 0.1754 1 0.0
P1 P+5 -0.30096 0.72079 0.32152 1 0.0
P3 P+5 -0.00958 0.30305 0.44613 1 0.0
O6 O-2 0.1052 0.5575 0.1112 1 0.0
O3 O-2 0.4568 0.6284 0.3034 1 0.0
O11 O-2 0.0763 0.8314 0.632 1 0.0
O2 O-2 0.5358 0.0938 0.1809 1 0.0
Cs2 Cs+1 0.5101 0.57126 0.95471 0.5 0.0
Mo2 Mo+5 -0.14807 0.09037 0.18014 1 0.0
O9 O-2 0.1435 0.0462 0.2127 1 0.0
Cs1 Cs+1 0.5 0 0.5 1 0.0
O4 O-2 0.0113 0.4414 0.3573 1 0.0
Mo1 Mo+5 0.14289 0.63704 0.2529 1 0.0
O8 O-2 0.2493 0.0272 -0.0174 1 0.0
O13 O-2 0.9513 0.251 0.0971 1 0.0
O7 O-2 0.2638 0.1177 0.7011 1 0.0
