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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/8/10/38/8103869.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_8103869
loop_
_publ_author_name
'Schroetter, F.'
'Mueller, B.G.'
_publ_section_title
;
 Zur Kristallstruktur ternaerer Cu(II)-Fluoride Cu M(IV) F6 (M(IV) = Sn,
 Pb, Ti, Mn, Pd)
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              261
_journal_page_last               268
_journal_volume                  196
_journal_year                    1991
_chemical_formula_sum            'Cu F6 Sn'
_chemical_name_systematic        'Cu (Sn F6)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                120.21
_cell_angle_beta                 92.52
_cell_angle_gamma                116.33
_cell_formula_units_Z            1
_cell_length_a                   5.503
_cell_length_b                   5.105
_cell_length_c                   5.263
_cell_volume                     107.489
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Schroetter_ZEKRDZ_1991_5.cif
_cod_data_source_block           Cu1F6Sn1
_cod_original_cell_volume        107.4891
_cod_original_formula_sum        'Cu1 F6 Sn1'
_cod_database_code               8103869
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-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
F3 F-1 -0.252 0.118 0.871 1 0.0
F1 F-1 -0.263 -0.124 0.266 1 0.0
Sn1 Sn+4 0.5 0 0.5 1 0.0
Cu1 Cu+2 0 0 0 1 0.0
F2 F-1 0.25 0.497 0.364 1 0.0
