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#$Date: 2023-03-24 18:37:27 +0200 (Fri, 24 Mar 2023) $
#$Revision: 282053 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/75/9007534.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9007534
loop_
_publ_author_name
'Baur, W. H.'
'Khan, A. A.'
_publ_section_title
;
 Rutile-type compounds. IV.
 SiO2, GeO2 and a comparison with other rutile-type structures
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2133
_journal_page_last               2139
_journal_paper_doi               10.1107/S0567740871005466
_journal_volume                  27
_journal_year                    1971
_chemical_formula_sum            'F2 Mg'
_chemical_name_mineral           Sellaite
_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_length_a                   4.6213
_cell_length_b                   4.6213
_cell_length_c                   3.0159
_cell_volume                     64.409
_database_code_amcsd             0009407
_exptl_crystal_density_diffrn    3.212
_cod_original_formula_sum        'Mg F2'
_cod_database_code               9007534
loop_
_space_group_symop_operation_xyz
x,y,z
-y,-x,z
y,x,-z
1/2+y,1/2-x,1/2-z
1/2-y,1/2+x,1/2+z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
x,y,-z
-x,-y,z
y,x,z
-y,-x,-z
1/2-y,1/2+x,1/2-z
1/2+y,1/2-x,1/2+z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
-x,-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Mg 0.00844 0.00844 0.00751 -0.00065 0.00000 0.00000
F 0.01287 0.01287 0.01101 -0.00281 0.00000 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mg 0.00000 0.00000 0.00000
F 0.30280 0.30280 0.00000