data_global
_amcsd_formula_title 'CsIn2(PO4)(HPO4)2*2H2O'
loop_
_publ_author_name
'Dhingra S S'
'Haushalter R C'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 112 
_journal_year 1994
_journal_page_first 96
_journal_page_last 99
_publ_section_title
;
 Synthesis and crystal structure of the octahedral-tetrahedral framework
 indium phosphate Cs[In2(PO4)(HPO4)2(H2O)2]
;
_database_code_amcsd 0013823
_chemical_formula_sum 'Cs In2 P3 O14 H6'
_cell_length_a 6.580
_cell_length_b 18.092
_cell_length_c 10.180
_cell_angle_alpha 90
_cell_angle_beta 97.92
_cell_angle_gamma 90
_cell_volume 1200.322
_exptl_crystal_density_diffrn      3.793
_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_U_iso_or_equiv
Cs1   0.79928   0.19859   0.52948   0.02495
In1   0.28878   0.14093   0.82299   0.00874
In2   0.23292   0.04655   0.31482   0.00925
P1   0.80230   0.10790   0.87240   0.00925
P2   0.25270  -0.01330   0.62870   0.00785
P3   0.32810   0.30180   0.63970   0.00798
O1   0.97640   0.15410   0.83420   0.01646
O-H2   0.80010   0.11750   0.02850   0.01773
O3   0.60060   0.13810   0.80340   0.01520
O4   0.83280   0.02560   0.84920   0.01520
O5   0.26830  -0.02360   0.47950   0.01267
O6   0.21880   0.06970   0.65630   0.01267
O7   0.45200  -0.04120   0.71520   0.01267
O8   0.08050  -0.06130   0.66950   0.01520
O-H9   0.54950   0.31380   0.71790   0.01520
O10   0.19620   0.36960   0.65960   0.01140
O11   0.34680   0.28990   0.49290   0.01267
O12   0.24380   0.23220   0.69360   0.01520
Wat13   0.32590   0.04140   0.94260   0.01773
Wat14   0.31200   0.14020   0.45090   0.02153