#------------------------------------------------------------------------------
#$Date: 2016-09-18 19:34:50 +0200 (Sun, 18 Sep 2016) $
#$Revision: 186638 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/88/1528846.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_1528846
loop_
_publ_author_name
'Sassoye, C.'
'de Kozak, A.'
_publ_section_title
;
 Crystal structure and thermal behaviour of K2 [Cr F5 . H2 O]
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              445
_journal_page_last               448
_journal_volume                  632
_journal_year                    2006
_chemical_formula_sum            'Cr F5 H2 K2 O'
_chemical_name_systematic        'K2 (Cr F5) (H2 O)'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.94
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.6835
_cell_length_b                   7.7359
_cell_length_c                   7.9564
_cell_volume                     592.818
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Sassoye_ZAACAB_2006_795.cif
_cod_data_source_block           H2Cr1F5K2O1
_cod_original_cell_volume        592.8185
_cod_original_formula_sum        'H2 Cr1 F5 K2 O1'
_cod_database_code               1528846
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z-1/2
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
_atom_site_attached_hydrogens
F3 F-1 -0.1839 0.2023 0.2939 1 0.0 0
F2 F-1 0 0.451 0.25 1 0.0 0
F1 F-1 0.0611 0.2044 0.4838 1 0.0 0
O1 O-2 0 -0.0551 0.25 1 0.0 2
Cr1 Cr+3 0 0.2062 0.25 1 0.0 0
K1 K+1 0.2986 -0.003 0.4736 1 0.0 0
