#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/20/1542069.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_1542069
loop_
_publ_author_name
'Papiernik, R.'
'Frit, B.'
_publ_section_title
;
 Structure cristalline d'une phase cubique desordonnee de type Re O3
 excedentaire en anions: Zr F2.67 O.67
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              509
_journal_page_last               516
_journal_volume                  19
_journal_year                    1984
_chemical_formula_sum            'F2.67 O0.67 Zr'
_chemical_name_systematic        'Zr F2.67 O.67'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.997
_cell_length_b                   3.997
_cell_length_c                   3.997
_cell_volume                     63.856
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Papiernik_MRBUAC_1984_1294.cif
_cod_data_source_block           F2.67O0.67Zr1
_cod_original_cell_volume        63.85611
_cod_original_formula_sum        'F2.67 O0.67 Zr1'
_cod_database_code               1542069
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
z,x,y
-x,z,y
-z,-x,y
x,-z,y
z,-x,-y
x,z,-y
-z,x,-y
-x,-z,-y
y,z,x
y,-z,-x
z,y,-x
-y,z,-x
-z,-y,-x
-y,-z,x
z,-y,x
-z,y,x
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
-z,-x,-y
x,-z,-y
z,x,-y
-x,z,-y
-z,x,y
-x,-z,y
z,-x,y
x,z,y
-y,-z,-x
-y,z,x
-z,-y,x
y,-z,x
z,y,x
y,z,-x
-z,y,-x
z,-y,-x
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
F2 F-1 0.5 0.287 0.037 0.031 0.0
O1 O-2 0.5 0.048 0.048 0.04 0.0
O2 O-2 0.5 0.287 0.037 0.008 0.0
F1 F-1 0.5 0.048 0.048 0.161 0.0
Zr1 Zr+4 0.0489 0 0 0.167 0.0
