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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/1/52/98/1529823.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_1529823
loop_
_publ_author_name
'Dubler, E.'
'Linowsky, L.'
'Oswald, H.R.'
'Matthieu, J.P.'
_publ_section_title
;
 Synthese, Kristallstruktur und thermische Entwaesserung von Cs Mn F4 (H2
 O)2
;
_journal_name_full               'Helvetica Chimica Acta'
_journal_page_first              1589
_journal_page_last               1600
_journal_volume                  60
_journal_year                    1977
_chemical_formula_sum            'Cs F4 H4 Mn O2'
_chemical_name_systematic        'Cs (Mn F4 (H2 O)2)'
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 131.46
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.891
_cell_length_b                   6.589
_cell_length_c                   10.558
_cell_volume                     619.932
_citation_journal_id_ASTM        HCACAV
_cod_data_source_file            Dubler_HCACAV_1977_121.cif
_cod_data_source_block           H4Cs1F4Mn1O2
_cod_original_cell_volume        619.9315
_cod_original_formula_sum        'H4 Cs1 F4 Mn1 O2'
_cod_database_code               1529823
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
x+1/2,y+1/2,z
-x+1/2,y+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
F1 F-1 0.3557 0.0785 0.2613 1 0.0
H2 H+1 0.244 0.838 0.42 1 0.0
O1 O-2 0.3447 0.8988 0.4759 1 0.0
H1 H+1 0.358 0.97 0.402 1 0.0
F2 F-1 0.0782 0.7548 0.3074 1 0.0
F4 F-1 0.135 0.4226 0.2333 1 0.0
Cs2 Cs+1 0 0.9709 0.5 1 0.0
H3 H+1 0.247 0.654 0.068 1 0.0
F3 F-1 0.4249 0.7381 0.191 1 0.0
Mn1 Mn+3 0.5001 0 0.2502 1 0.0
H4 H+1 0.131 0.528 0.085 1 0.0
Cs1 Cs+1 0 0.0278 0 1 0.0
O2 O-2 0.1456 0.5911 0.01 1 0.0
