#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/65/1526507.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_1526507
loop_
_publ_author_name
'Jorgensen, J.D.'
'Hinks, D.G.'
'Short, S.'
_publ_section_title
;
 Lattice properties of Mg B2 versus temperature and pressure
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              2245221
_journal_page_last               2245225
_journal_volume                  63
_journal_year                    2001
_chemical_formula_sum            'B2 Mg'
_chemical_name_systematic        'Mg B2'
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.0823
_cell_length_b                   3.0823
_cell_length_c                   3.51461
_cell_volume                     28.917
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Jorgensen_PRBMDO_2001_1896.cif
_cod_data_source_block           B2Mg1
_cod_original_cell_volume        28.91729
_cod_original_formula_sum        'B2 Mg1'
_cod_database_code               1526507
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z
-y,x-y,z
-x,-y,z
-x+y,-x,z
y,-x+y,z
-y,-x,-z
x-y,-y,-z
x,x-y,-z
y,x,-z
-x+y,y,-z
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z
y,-x+y,-z
x,y,-z
x-y,x,-z
-y,x-y,-z
y,x,z
-x+y,y,z
-x,-x+y,z
-y,-x,z
x-y,-y,z
x,x-y,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
Mg1 Mg 0 0 0 1 0.0
B1 B 0.3333 0.6667 0.5 1 0.0
