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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/96/1529671.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_1529671
loop_
_publ_author_name
'Bokii, G.B.'
'Khodashova, T.S.'
_publ_section_title
;
 The X-ray analysis of the crystals In F3 (H2 O)3
;
_journal_name_full               Kristallografiya
_journal_page_first              197
_journal_page_last               204
_journal_volume                  1
_journal_year                    1956
_chemical_formula_sum            'F3 H6 In O3'
_chemical_name_systematic        'In F3 (H2 O)3'
_space_group_IT_number           85
_symmetry_space_group_name_Hall  'P 4ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.94
_cell_length_b                   7.94
_cell_length_c                   4.21
_cell_volume                     265.414
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Bokii_KRISAJ_1956_1430.cif
_cod_data_source_block           H6F3In1O3
_cod_original_cell_volume        265.4136
_cod_original_sg_symbol_Hall     '-P 4a (x-1/4,y+1/4,z)'
_cod_original_formula_sum        'H6 F3 In1 O3'
_cod_database_code               1529671
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z
-x,-y,z
y+1/2,-x+1/2,z
-x+1/2,-y+1/2,-z
y,-x,-z
x+1/2,y+1/2,-z
-y,x,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O2 O-2 0 0.5 0.835 0.5 0.0
In1 In+3 0 0.5 0.335 1 0.0
F3 F-1 0 0 0 0.5 0.0
O1 O-2 0.739 0.113 0.335 0.5 0.0
F1 F-1 0.739 0.113 0.335 0.5 0.0
F2 F-1 0 0.5 0.835 0.5 0.0
O3 O-2 0 0 0 0.5 0.0
