#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/82/2008283.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_2008283
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1999
_journal_volume 55
_journal_page_first  279
_journal_page_last  281
_publ_section_title
;
Monoclinic InPO~4~^.^2H~2~O
;
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/n'
loop_
_publ_author_name
  'Sugiyama, Kazumasa'
  'Yu,  Jihong'
  'Hiraga, Kenji'
  'Terasaki, Osamu'
_chemical_name_common  'indium phosphate dihydrate'
_chemical_formula_sum  'H4 In O6 P'
_chemical_formula_iupac  'In1 P1 O4, 2H2 O1'
_chemical_formula_weight  245.82
_symmetry_cell_setting  'monoclinic'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x+1/2, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x-1/2, -y-1/2, z-1/2'
_cell_length_a  5.4508(12)
_cell_length_b  10.2229(12)
_cell_length_c  8.8830(17)
_cell_angle_alpha  90.00
_cell_angle_beta  91.50(2)
_cell_angle_gamma  90.00
_cell_volume  494.82(16)
_cell_formula_units_Z  4
_cell_measurement_temperature  298(2)
_exptl_crystal_density_diffrn  3.300
_diffrn_ambient_temperature  298(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  In 0.40951(3) 0.33006(2) 0.30193(2) 0.00935(6) Uani d . 1 . . In
  P -0.08927(12) 0.14992(7) 0.18222(8) 0.00841(12) Uani d . 1 . . P
  O1 0.1699(4) 0.1722(2) 0.2501(3) 0.0162(4) Uani d . 1 . . O
  O2 -0.1192(5) 0.2192(2) 0.0299(2) 0.0174(4) Uani d . 1 . . O
  O3 -0.2793(4) 0.2051(2) 0.2899(2) 0.0139(4) Uani d . 1 . . O
  O4 -0.1270(4) 0.0014(2) 0.1649(2) 0.0131(4) Uani d . 1 . . O
  OW1 0.0975(5) 0.4551(3) 0.2896(6) 0.0470(11) Uani d . 1 . . O
  OW2 0.4439(5) 0.3646(3) 0.0619(3) 0.0258(5) Uani d . 1 . . O
  H1A 0.1240 0.5330 0.2860 0.051(10) Uiso d . 1 . . H
  H1B -0.0630 0.4600 0.3060 0.051(10) Uiso d . 1 . . H
  H2A 0.3440 0.3320 -0.0060 0.051(10) Uiso d . 1 . . H
  H2B 0.5690 0.3400 0.0200 0.051(10) Uiso d . 1 . . H
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(8) 0.00931(8) 0.01051(8) -0.00023(6) 0.00038(5) -0.00048(6)
  P 0.0077(3) 0.0086(3) 0.0090(3) 0.0006(2) 0.0006(2) -0.0003(2)
  O1 0.0101(8) 0.0127(9) 0.0256(11) -0.0013(7) -0.0039(8) -0.0037(8)
  O2 0.0270(11) 0.0166(10) 0.0086(8) 0.0048(9) 0.0028(8) 0.0021(7)
  O3 0.0126(8) 0.0173(9) 0.0121(8) 0.0054(7) 0.0024(7) 0.0009(7)
  O4 0.0104(8) 0.0079(8) 0.0211(10) 0.0014(7) -0.0009(7) -0.0006(7)
  OW1 0.0097(10) 0.0117(11) 0.120(4) 0.0030(9) 0.0094(15) 0.0103(16)
  OW2 0.0325(14) 0.0322(14) 0.0125(10) -0.0038(11) -0.0021(9) -0.0006(9)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  In O2 4_666 2.097(2) yes
  In O1 . 2.119(2) yes
  In OW1 . 2.128(3) yes
  In O3 1_655 2.128(2) yes
  In O4 2 2.131(2) yes
  In OW2 . 2.174(3) yes
  P O2 . 1.532(2) yes
  P O3 . 1.536(2) yes
  P O1 . 1.538(2) yes
  P O4 . 1.539(2) yes
  O2 In 4_565 2.097(2) ?
  O3 In 1_455 2.128(2) ?
  O4 In 2_545 2.131(2) ?
_cod_database_code 2008283
_amcsd_database_code             AMCSD#0009998