#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/41/4344107.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_4344107
loop_
_publ_author_name
'Budonec, P.'
'Kaucic, V.'
_publ_section_title
;
 Reinvestigation of the crystal structure of indium trifluoride trihydrate
;
_journal_name_full               'Inorganic and Nuclear Chemistry Letters'
_journal_page_first              79
_journal_page_last               81
_journal_volume                  14
_journal_year                    1978
_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 4a'
_symmetry_space_group_name_H-M   'P 4/n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.945
_cell_length_b                   7.945
_cell_length_c                   4.13
_cell_volume                     260.698
_citation_journal_id_ASTM        INUCAF
_cod_data_source_file            Budonec_INUCAF_1978_245.cif
_cod_data_source_block           H6F3In1O3
_cod_original_cell_volume        260.6981
_cod_original_formula_sum        'H6 F3 In1 O3'
_cod_database_code               4344107
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x,z
-x+1/2,-y+1/2,z
y,-x+1/2,z
-x,-y,-z
y-1/2,-x,-z
x-1/2,y-1/2,-z
-y,x-1/2,-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
In1 In+3 0.25 0.25 0.16261 1 0.0
F2 F-1 0.14033 0.48685 0.15028 0.5 0.0
O2 O-2 0.14033 0.48685 0.15028 0.5 0.0
F1 F-1 0.25 0.25 0.66068 1 0.0
O1 O-2 0.25 0.75 0.5 1 0.0
