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#$Date: 2023-03-24 18:37:27 +0200 (Fri, 24 Mar 2023) $
#$Revision: 282053 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/22/9012212.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9012212
loop_
_publ_author_name
'Xu, Y.'
'Koh, L. L.'
'An, L. H.'
'Xu, R. R.'
'Qiu, S. L.'
_publ_section_title
;
 A comparative study of a novel microporous indiumphosphate and other
 M(III)X(V)O4-type microporous materials
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              373
_journal_page_last               378
_journal_paper_doi               10.1006/jssc.1995.1287
_journal_volume                  117
_journal_year                    1995
_chemical_formula_structural     In(PO4)*2H2O
_chemical_formula_sum            'H4 In O6 P'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.842
_cell_length_b                   10.187
_cell_length_c                   10.327
_cell_volume                     930.189
_database_code_amcsd             0013871
_exptl_crystal_density_diffrn    3.511
_cod_original_formula_sum        'In P O6 H4'
_cod_database_code               9012212
_amcsd_formula_title             In(PO4)*2H2O
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
In 0.15270 0.67230 0.86910
P 0.03270 0.35810 0.84810
O3 -0.00620 0.80400 0.78870
O4 0.08160 0.70860 0.06040
O5 0.30450 0.83240 0.89190
O6 0.00490 0.50790 0.85200
O1 0.34400 0.55600 0.94840
O2 0.23320 0.60480 0.68400
H1a 0.31920 0.47480 0.94430
H1b 0.37260 0.57330 0.02980
H2a 0.22410 0.66010 0.63280
H2b 0.32820 0.58050 0.67700