#------------------------------------------------------------------------------
#$Date: 2015-09-29 07:18:54 +0200 (mar 29 de sep de 2015) $
#$Revision: 158849 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/28/1532848.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_1532848
loop_
_publ_author_name
'Margadonna, S.'
'Prassides, K.'
'Arvanitidis, I.'
'Pissas, M.'
'Fitch, A.N.'
'Papavassiliou, M.'
_publ_section_title
;
 Crystal structure of the Mg1-x Alx B2 superconductors near x = 0.5
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              014518-1
_journal_page_last               014518-5
_journal_volume                  66
_journal_year                    2002
_chemical_formula_sum            'Al0.45 B2 Mg0.56'
_chemical_name_systematic        'Mg0.51 (Mg0.05 Al0.45) 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            2
_cell_length_a                   3.04988
_cell_length_b                   3.04988
_cell_length_c                   6.7319
_cell_volume                     54.229
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Margadonna_PRBMDO_2002_22.cif
_cod_data_source_block           Al0.45B2Mg0.56
_cod_original_cell_volume        54.22928
_cod_database_code               1532848
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
B1 B 0.3333 0.6667 0.2494 1 0.0
Mg2 Mg 0 0 0 0.1 0.0
Al1 Al 0 0 0 0.9 0.0
Mg1 Mg 0 0 0.5 1.02 0.0
