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#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9002506.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_9002506
loop_
_publ_author_name
'Miura H'
'Hamada Y'
'Suzuki T'
'Akaogi M'
'Miyajima N'
'Fujino K'
_publ_section_title
;
 Crystal structure of MaMg2Al6O12, a new Al-rich high pressure form
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1799
_journal_page_last               1803
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Al3 Ca0.5 Mg O6'
_[local]_cod_chemical_formula_sum_orig 'Ca.5 Mg Al3 O6'
_chemical_name_mineral           CaMg2Al6O12
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   8.7616
_cell_length_b                   8.7616
_cell_length_c                   2.7850
_cell_volume                     185.150
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+y,-x,1/2-z
x-y,x,1/2+z
y,-x+y,-z
-y,x-y,z
x,y,1/2-z
-x,-y,1/2+z
x-y,x,-z
-x+y,-x,z
-y,x-y,1/2-z
y,-x+y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ca 0.00000 0.00000 0.25000 0.50000 0.03673
Mg 0.66667 0.33333 0.25000 1.00000 0.02280
Al -0.01000 0.34200 0.25000 1.00000 0.01900
O1 0.13400 0.60100 0.25000 1.00000 ?
O2 0.30600 0.19700 0.25000 1.00000 0.00633
_cod_database_code 9002506