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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/82/1528224.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_1528224
loop_
_publ_author_name
'Yagi, T.'
'Jamieson, J. C.'
'Moore, P. B.'
_publ_section_title
;
 Polymorphism in MnF₂ (Rutil Type) at high pressures
;
_journal_issue                   B3
_journal_name_full               'Journal of Geophysical Research'
_journal_page_first              1113
_journal_page_last               1115
_journal_paper_doi               10.1029/JB084iB03p01113
_journal_volume                  84
_journal_year                    1979
_chemical_formula_sum            'F2 Mn'
_chemical_name_systematic        'Mn F2'
_space_group_IT_number           111
_symmetry_space_group_name_Hall  'P -4 2'
_symmetry_space_group_name_H-M   'P -4 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.122
_cell_length_b                   5.122
_cell_length_c                   5.256
_cell_volume                     137.891
_citation_journal_id_ASTM        JGREA2
_cod_data_source_file            Yagi_JGREA2_1979_694.cif
_cod_data_source_block           F2Mn1
_cod_original_cell_volume        137.8906
_cod_original_formula_sum        'F2 Mn1'
_cod_database_code               1528224
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
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 0.199 0.199 0.622 1 0.0
Mn1 Mn+2 0 0 0 1 0.0
Mn3 Mn+2 0.5 0 0.5 1 0.0
Mn2 Mn+2 0.5 0.5 0 1 0.0
F1 F-1 0.295 0.295 0.28 1 0.0
