data_global
_amcsd_formula_title 'In(PO4)*2H2O'
loop_
_publ_author_name
'Sugiyama K'
'Yu J'
'Hiraga K'
'Terasaki O'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 55 
_journal_year 1999
_journal_page_first 279
_journal_page_last 281
_publ_section_title
;
 Monoclinic InPO4*2H2O
 Note: H positions from ICSD
;
_database_code_amcsd 0010317
_chemical_formula_sum 'In P O6 H4'
_cell_length_a 5.4508
_cell_length_b 10.2229
_cell_length_c 8.8830
_cell_angle_alpha 90
_cell_angle_beta 91.50
_cell_angle_gamma 90
_cell_volume 494.818
_exptl_crystal_density_diffrn      3.300
_symmetry_space_group_name_H-M 'P 1 21/n 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-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
In   0.40951   0.33006   0.30193   0.00935
P  -0.08927   0.14992   0.18222   0.00841
O1   0.16990   0.17220   0.25010   0.01620
O2  -0.11920   0.21920   0.02990   0.01740
O3  -0.27930   0.20510   0.28990   0.01390
O4  -0.12700   0.00140   0.16490   0.01310
Ow1   0.09750   0.45510   0.28960   0.04700
Ow2   0.44390   0.36460   0.06190   0.02580
H1a   0.12400   0.53300   0.28600   0.05100
H1b  -0.06300   0.46000   0.30600   0.05100
H2a   0.34400   0.33200  -0.00600   0.05100
H2b   0.56900   0.34000   0.02000   0.05100
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
In 0.00824 0.00931 0.01051 -0.00023 0.00038 -0.00048
P 0.00770 0.00860 0.00900 0.00060 0.00060 -0.00030
O1 0.01010 0.01270 0.02560 -0.00130 -0.00390 -0.00370
O2 0.02700 0.01660 0.00860 0.00480 0.00280 0.00210
O3 0.01260 0.01730 0.01210 0.00540 0.00240 0.00090
O4 0.01040 0.00790 0.02110 0.00140 -0.00090 -0.00060
Ow1 0.00970 0.01170 0.12000 0.00300 0.00940 0.01030
Ow2 0.03250 0.03220 0.01250 -0.00380 -0.00210 -0.00060