#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/21/1532193.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_1532193
loop_
_publ_author_name
'Schmidt, R.'
'Kraus, M.'
'Mueller, B.G.'
_publ_section_title
;
 Neue Fluorozirconate und -hafnate mit V(2+) und Ti(2+)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2344
_journal_page_last               2350
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'F7 K V Zr'
_chemical_name_systematic        'K (V Zr F7)'
_space_group_IT_number           52
_symmetry_space_group_name_Hall  '-P 2a 2bc'
_symmetry_space_group_name_H-M   'P n n a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.098
_cell_length_b                   7.88
_cell_length_c                   6.48
_cell_volume                     566.691
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Schmidt_ZAACAB_2001_42.cif
_cod_data_source_block           F7K1V1Zr1
_cod_original_cell_volume        566.6905
_cod_original_formula_sum        'F7 K1 V1 Zr1'
_cod_database_code               1532193
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z
x,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z
-x,y-1/2,z-1/2
x-1/2,-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
F3 F-1 0.5829 0.25 0.25 1 0.0
V1 V+2 0.09478 0.25 0.25 1 0.0
F4 F-1 -0.04437 0.305 0.4484 1 0.0
Zr1 Zr+4 0.40725 0.25 0.25 1 0.0
K1 K+1 0.25 0 0.73334 1 0.0
F1 F-1 0.25016 0.2091 0.0717 1 0.0
F2 F-1 0.10607 0.9965 0.3316 1 0.0
