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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/1/53/73/1537346.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_1537346
loop_
_publ_author_name
'Grandjean, D.'
'Weiss, R.'
_publ_section_title
;
 Etude structurale des complexes oxofluores et oxoperoxofluores du
 molybdene V et VI. IV. - Structure cristalline de
 l'oxopentafluoromolybdate de potassium a une molecule d'eau
;
_journal_name_full
'Bulletin de la Societe Chimique de France (Vol=Year)'
_journal_page_first              3054
_journal_page_last               3058
_journal_volume                  1967
_journal_year                    1967
_chemical_formula_sum            'F5 H2 K2 Mo O2'
_chemical_name_systematic        'K2 (Mo O F5) (H2 O)'
_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                 100.05
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.533
_cell_length_b                   8.508
_cell_length_c                   9.107
_cell_volume                     651.012
_citation_journal_id_ASTM        BSCFAS
_cod_data_source_file            Grandjean_BSCFAS_1967_367.cif
_cod_data_source_block           H2F5K2Mo1O2
_cod_original_cell_volume        651.0121
_cod_original_formula_sum        'H2 F5 K2 Mo1 O2'
_cod_database_code               1537346
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
K2 K+1 0.5 0.7387 0.5 1 0.0
O1 O-2 0.206 -0.032 0.084 1 0.0
Mo1 Mo+5 0.2131 0 0.265 1 0.0
F5 F-1 -0.001 -0.047 0.268 1 0.0
F2 F-1 0.442 -0.012 0.312 1 0.0
K3 K+1 0.5 0.2508 0.5 1 0.0
F1 F-1 0.233 0.003 0.4902 1 0.0
O2 O-2 0 0.324 0 1 0.0
O3 O-2 0 0.749 0 1 0.0
K1 K+1 0.1977 0.4902 0.2047 1 0.0
F4 F-1 0.214 -0.215 0.301 1 0.0
F3 F-1 0.232 0.218 0.251 1 0.0
