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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/62/1526229.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_1526229
loop_
_publ_author_name
'Haines, J.'
'Leger, J.M.'
'Gorelli, F.'
'Klug, D.D.'
'Tse, J.S.'
'Li, Z.Q.'
_publ_section_title
;
 X-ray diffraction and theoretical studies of the high-pressure structures
 and phase transitions in magnesium fluoride
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              1341101
_journal_page_last               13411010
_journal_volume                  64
_journal_year                    2001
_chemical_formula_sum            'F2 Mg'
_chemical_name_systematic        'Mg F2'
_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_formula_units_Z            2
_cell_length_a                   4.5967
_cell_length_b                   4.5967
_cell_length_c                   3.0376
_cell_volume                     64.183
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Haines_PRBMDO_2001_1908.cif
_cod_data_source_block           F2Mg1
_cod_original_cell_volume        64.18343
_cod_original_formula_sum        'F2 Mg1'
_cod_database_code               1526229
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+1/2
-x,-y,z
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y,x,-z
-x+1/2,y+1/2,-z+1/2
-y,-x,-z
-x,-y,-z
y-1/2,-x-1/2,-z-1/2
x,y,-z
-y-1/2,x-1/2,-z-1/2
-x-1/2,y-1/2,z-1/2
-y,-x,z
x-1/2,-y-1/2,z-1/2
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
F1 F-1 0.3018 0.3018 0 1 0.0
Mg1 Mg+2 0 0 0 1 0.0