#------------------------------------------------------------------------------
#$Date: 2016-01-09 13:29:11 +0100 (Sat, 09 Jan 2016) $
#$Revision: 174071 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/54/20/1542097.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_1542097
loop_
_publ_author_name
'Viebahn, W.'
'Epple, P.'
_publ_section_title
;
 Untersuchungen an quaternaeren Fluoriden Li M(II) M(III) F6. Ueber die
 Kationenverteilung in Fluortrirutilen
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              45
_journal_page_last               54
_journal_volume                  427
_journal_year                    1976
_chemical_formula_sum            'Cr0.752 F6 Li0.752 Zn1.496'
_chemical_name_systematic        'Li.752 Zn1.496 Cr.752 F6'
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.658
_cell_length_b                   4.658
_cell_length_c                   9.16
_cell_volume                     198.744
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Viebahn_ZAACAB_1976_1069.cif
_cod_data_source_block           Cr0.752F6Li0.752Zn1.496
_cod_original_cell_volume        198.7442
_cod_database_code               1542097
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+1/2
-x,-y,z
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y,x,-z
-x+1/2,y+1/2,-z+1/2
-y,-x,-z
-x,-y,-z
y-1/2,-x-1/2,-z-1/2
x,y,-z
-y-1/2,x-1/2,-z-1/2
-x-1/2,y-1/2,z-1/2
-y,-x,z
x-1/2,-y-1/2,z-1/2
y,x,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
Li1 Li+1 0 0 0 0.752 0.0
Zn2 Zn+2 0 0 0.3322 0.624 0.0
F1 F-1 0.3095 0.3095 0 1 0.0
Cr1 Cr+3 0 0 0.3322 0.376 0.0
Zn1 Zn+2 0 0 0 0.248 0.0
F2 F-1 0.2999 0.2999 0.3289 1 0.0
