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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/51/1535142.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_1535142
loop_
_publ_author_name
'Benkic, P.'
'Mazej, Z.'
'Zemva, B.'
_publ_section_title
;
 A new crystal modification of chromium tetrafluoride: beta-(Cr F4)
;
_journal_name_full               'Angew. Chem. Int. ed.'
_journal_page_first              1398
_journal_page_last               1399
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'Cr F4'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.68
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   14.57
_cell_length_b                   9.72
_cell_length_c                   7.19
_cell_volume                     993.417
_citation_journal_id_ASTM        ACIEF5
_cod_data_source_file            Benkic_ACIEF5_2002_339.cif
_cod_data_source_block           Cr1F4
_cod_original_cell_volume        993.4168
_cod_original_formula_sum        'Cr1 F4'
_cod_database_code               1535142
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
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
Cr2 Cr+4 0.00242 0.25877 0.498 1 0.0
F5 F-1 0.24284 0.14808 0.6957 1 0.0
F9 F-1 -0.0685 0.3915 0.40771 1 0.0
F4 F-1 0.28047 -0.10124 0.6044 1 0.0
F7 F-1 0 0.19109 0.25 1 0.0
F1 F-1 0.06855 0.09356 0.59594 1 0.0
F2 F-1 0.10401 -0.14455 0.50147 1 0.0
F8 F-1 0.10818 0.33551 0.5114 1 0.0
Cr1 Cr+4 0.1873 0.00178 0.60755 1 0.0
F6 F-1 0 0.31225 0.75 1 0.0
F3 F-1 0.18193 0.06162 0.35417 1 0.0
