#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/17/1531785.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_1531785
loop_
_publ_author_name
'Mattes, R.'
'Mueller, G.'
'Becher, H.J.'
_publ_section_title
;
 Schwingungsspektren und Struktur von Dioxotrifluoromolybdaten und
 -wolframaten
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              177
_journal_page_last               187
_journal_volume                  389
_journal_year                    1972
_chemical_formula_sum            'Cs F3 Mo O2'
_chemical_name_systematic        'Cs Mo O2 F3'
_space_group_IT_number           74
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.492
_cell_length_b                   6.457
_cell_length_c                   14.124
_cell_volume                     500.863
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Mattes_ZAACAB_1972_1973.cif
_cod_data_source_block           Cs1F3Mo1O2
_cod_original_cell_volume        500.8631
_cod_original_formula_sum        'Cs1 F3 Mo1 O2'
_cod_database_code               1531785
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y+1/2,z
x,-y,-z
-x,y+1/2,-z
-x,-y,-z
x,y-1/2,-z
-x,y,z
x,-y-1/2,z
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1,z+1/2
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1,-z+1/2
-x+1/2,-y+1/2,-z+1/2
x+1/2,y,-z+1/2
-x+1/2,y+1/2,z+1/2
x+1/2,-y,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
F1 F-1 0.25 0.25 0.25 1 0.0
O1 O-2 0.241 0.25 0.063 1 0.0
Mo1 Mo+6 0 0.25 0.1364 1 0.0
F2 F-1 0 0.537 0.161 1 0.0
Cs1 Cs+1 0 0.25 0.6308 1 0.0
