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#$Date: 2015-09-29 08:18:02 +0300 (Tue, 29 Sep 2015) $
#$Revision: 158848 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/28/1532847.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_1532847
loop_
_publ_author_name
'Margadonna, S.'
'Pissas, M.'
'Prassides, K.'
'Arvanitidis, I.'
'Papavassiliou, M.'
'Fitch, A.N.'
_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            'Al0.48 B2.2 Mg0.52'
_chemical_name_systematic        '(Mg0.52 Al0.48) B2.2'
_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                   3.04436
_cell_length_b                   3.04436
_cell_length_c                   6.71248
_cell_volume                     53.877
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Margadonna_PRBMDO_2002_21.cif
_cod_data_source_block           Al0.48B2.2Mg0.52
_cod_original_cell_volume        53.87728
_cod_database_code               1532847
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
Al1 Al 0 0 0 0.96 0.0
Mg1 Mg 0 0 0.5 1.04 0.0
B1 B 0.3333 0.6667 0.2413 1.1 0.0