data_global
_amcsd_formula_title 'MgAl2O4'
loop_
_publ_author_name
'Kojitani H'
'Hisatomi R'
'Akaogi M'
_journal_name_full 'American Mineralogist'
_journal_volume 92 
_journal_year 2007
_journal_page_first 1112
_journal_page_last 1118
_publ_section_title
;
 High-pressure relations and crystal chemistry of calcium ferrite-type solid
 solutions in the system MgAl2O4-Mg2SiO4
 Note: synthesized from MgAl2O4 spinel at 27 GPa and 2200 C
 Note: data collected at room conditinos
;
_database_code_amcsd 0004381
_chemical_formula_sum 'Mg Al2 O4'
_cell_length_a 9.9498
_cell_length_b 8.6468
_cell_length_c 2.7901
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 240.043
_exptl_crystal_density_diffrn      3.937
_symmetry_space_group_name_H-M 'P b n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mg   0.35030   0.75760   0.25000   0.00811
Al1   0.38540   0.43880   0.25000   0.00494
Al2   0.89640   0.41590   0.25000   0.00380
O1   0.83440   0.20050   0.25000   0.02014
O2   0.52790   0.12010   0.25000   0.01064
O3   0.21500   0.53570   0.25000   0.01115
O4   0.57090   0.40890   0.25000   0.01988