data_global
_amcsd_formula_title 'Cs3Mo4P4O22'
loop_
_publ_author_name
'Borel M'
'Leclaire A'
'Grandin A'
'Raveau B'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 108 
_journal_year 1994
_journal_page_first 336
_journal_page_last 339
_publ_section_title
;
 Cs3Mo4P4O22: A mixed valent monophosphate isotypic with K2Mo2P2O11
 _cod_database_code 1001617
;
_database_code_amcsd 0013795
_chemical_formula_sum 'Mo2 P2 Cs1.5 O11'
_cell_length_a 10.134
_cell_length_b 10.104
_cell_length_c 9.952
_cell_angle_alpha 90
_cell_angle_beta 100.44
_cell_angle_gamma 90
_cell_volume 1002.155
_exptl_crystal_density_diffrn      4.170
_symmetry_space_group_name_H-M 'P 1 21/c 1'
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   0.33546   0.07135   0.11965   1.00000
Mo2   0.08735   0.32081   0.13275   1.00000
P1   0.40570   0.35520   0.32230   1.00000
P2   0.11840   0.06260   0.33730   1.00000
Cs1   0.75585   0.19686   0.25889   1.00000
Cs2   0.50120   0.01610   0.49930   0.50000
O1   0.27490  -0.05950   0.02580   1.00000
O2   0.43040   0.15780  -0.02030   1.00000
O3   0.24800   0.01970   0.28910   1.00000
O4   0.50230  -0.03180   0.21150   1.00000
O5   0.19640   0.19000   0.07940   1.00000
O6   0.44260   0.22390   0.26090   1.00000
O7  -0.06150   0.27380   0.04080   1.00000
O8  -0.00080   0.47340   0.22310   1.00000
O9   0.14510   0.44860  -0.00540   1.00000
O10   0.07800   0.20620   0.29830   1.00000
O11   0.26260   0.39610   0.26450   1.00000