#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/44/8104483.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_8104483
loop_
_publ_author_name
'Herbstein, F.H.'
'Kapon, M.'
'Reisner, G.M.'
_publ_section_title
;
 Crystal structures of chromium(III) fluoride trihydrate and chromium(III)
 fluoride pentahydrate. Structural chemistry of hydrated transition metal
 fluorides. Thermal decomposition of chromium(III) fluoride nonahydrate
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              209
_journal_page_last               224
_journal_volume                  171
_journal_year                    1985
_chemical_formula_sum            'Cr F3 H6 O3'
_chemical_name_systematic        'Cr F3 (H2 O)3'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                112.5
_cell_angle_beta                 112.5
_cell_angle_gamma                112.5
_cell_formula_units_Z            1
_cell_length_a                   5.668
_cell_length_b                   5.668
_cell_length_c                   5.668
_cell_volume                     121.957
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Herbstein_ZEKRDZ_1985_1981.cif
_cod_data_source_block           H6Cr1F3O3
_cod_original_cell_volume        121.9571
_cod_original_sg_symbol_Hall     '-R 3 2" (-y+z,x+z,-x+y+z)'
_cod_original_formula_sum        'H6 Cr1 F3 O3'
_cod_database_code               8104483
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
-y,-x,-z
-z,-y,-x
-x,-z,-y
-x,-y,-z
-z,-x,-y
-y,-z,-x
y,x,z
z,y,x
x,z,y
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
O1 O-2 0.192 0.42 0.947 0.25 0.0
F1 F-1 0.192 0.42 0.947 0.25 0.0
Cr1 Cr+3 0 0 0 1 0.0
