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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/9/01/22/9012218.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_9012218
loop_
_publ_author_name
'Hriljac, J. A.'
'Grey, C. P.'
'Cheetham, A. K.'
'VerNooy, P. D.'
'Torardi, C. C.'
_publ_section_title
;Synthesis and structure of KIn(OH)PO4: Chains of hydroxide-bridged InO4(OH)2
 octahedra
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              243
_journal_page_last               248
_journal_paper_doi               10.1006/jssc.1996.0174
_journal_volume                  123
_journal_year                    1996
_chemical_formula_structural     KIn(OH)PO4
_chemical_formula_sum            'H In2 K2 O10 P2'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.277
_cell_length_b                   9.339
_cell_length_c                   11.245
_cell_volume                     974.243
_database_code_amcsd             0013888
_exptl_crystal_density_diffrn    3.619
_cod_original_formula_sum        'K2 In2 P2 O10 H'
_cod_database_code               9012218
_amcsd_formula_title             KIn(OH)PO4
loop_
_space_group_symop_operation_xyz
x,y,z
-x,1/2+y,1/2-z
1/2+x,1/2-y,-z
1/2-x,-y,1/2+z
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
K1 0.07800 0.02200 0.02300 0.02300 -0.01400 -0.00600
K2 0.02600 0.05800 0.04300 0.02400 0.00300 0.00600
In1 0.00690 0.00640 0.00890 -0.00090 -0.00070 -0.00020
In2 0.00770 0.00660 0.00840 0.00030 -0.00070 0.00050
P1 0.00700 0.00730 0.00930 0.00070 0.00000 0.00000
P2 0.00820 0.00670 0.00920 0.00030 0.00200 0.00000
O1 0.02000 0.01700 0.00800 -0.00300 -0.00600 0.00000
O2 0.01200 0.01500 0.02100 0.00200 -0.00200 0.00800
O3 0.01200 0.01200 0.01600 -0.00100 -0.00200 0.00500
O4 0.01000 0.01200 0.02000 0.00200 0.00300 -0.00300
Oh5 0.01600 0.01000 0.01900 0.00000 -0.00400 -0.00800
Oh6 0.00800 0.01000 0.02100 0.00200 -0.00100 0.00000
O7 0.01600 0.01000 0.01300 0.00000 -0.00700 -0.00100
O8 0.01200 0.01200 0.02100 0.00000 0.00400 -0.01100
O9 0.00900 0.00900 0.01800 -0.00700 0.00300 -0.00300
O10 0.01100 0.01100 0.02100 -0.00400 -0.00400 0.00400
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
K1 0.01960 0.46870 0.09840
K2 -0.25840 0.13780 0.16490
In1 0.14813 0.10651 0.12268
In2 0.39842 0.15400 0.37663
P1 -0.06690 0.15990 -0.12220
P2 0.07950 0.31240 0.36920
O1 0.02990 0.20640 -0.01760
O2 0.49900 0.27290 0.23620
O3 0.57130 0.00300 0.36570
O4 0.24440 0.32180 0.38060
O-h5 0.28850 0.01940 0.25310
O-h6 0.24160 -0.03860 0.00070
O7 0.51100 0.25500 0.51950
O8 0.03510 0.21880 0.26150
O9 -0.02660 -0.03390 0.15360
O10 0.27990 0.29080 0.09620
H 0.31000 -0.07000 0.24000