#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/62/1536232.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_1536232
loop_
_publ_author_name
'Dahlke, P.'
'Babel, D.'
'Pebler, J.'
_publ_section_title
;
 Struktur- und magnetochemische Untersuchungen an K Cu Ga F6
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              115
_journal_page_last               121
_journal_volume                  631
_journal_year                    2005
_chemical_formula_sum            'Cu F6 Ga K'
_chemical_name_systematic        'K Cu Ga F6'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.12
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.2856
_cell_length_b                   9.8951
_cell_length_c                   6.7627
_cell_volume                     486.812
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Dahlke_ZAACAB_2005_1811.cif
_cod_data_source_block           Cu1F6Ga1K1
_cod_original_cell_volume        486.8122
_cod_original_formula_sum        'Cu1 F6 Ga1 K1'
_cod_database_code               1536232
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-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
F1 F-1 0.0215 -0.16294 0.1319 1 0.0
F4 F-1 0.7538 0.018 0.0808 1 0.0
F2 F-1 0.5063 -0.17762 0.1014 1 0.0
F3 F-1 0.2457 0.33099 1.0761 1 0.0
Ga2 Ga+3 0.5 0 0 1 0.0
K1 K+1 0.24149 0.88434 0.49812 1 0.0
Ga1 Ga+3 0 0 0 1 0.0
Cu1 Cu+2 0.25512 0.26532 0.81565 1 0.0
F5 F-1 0.0737 0.4108 0.7374 1 0.0
F6 F-1 0.4451 0.06329 0.2478 1 0.0
