data_global
_chemical_name_mineral 'Spinel'
loop_
_publ_author_name
'Carbonin S'
'Martignago F'
'Menegazzo G'
'Dal Negro A'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 29 
_journal_year 2002
_journal_page_first 503
_journal_page_last 514
_publ_section_title
;
 X-ray single-crystal study of spinels: in situ heating
 Sample: NAT, Heating, 3rd run, T = 500 C
;
_database_code_amcsd 0008670
_chemical_formula_sum 'Al1.937 Mg.996 Zn.004 Cr.061 Fe.002 O4'
_cell_length_a 8.1282
_cell_length_b 8.1282
_cell_length_c 8.1282
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 537.011
_exptl_crystal_density_diffrn      3.563
_symmetry_space_group_name_H-M 'F d 3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '3/4+z,1/2-x,1/4+y'
  '3/4+z,-x,3/4+y'
  '1/4+z,1/2-x,3/4+y'
  '1/4+z,-x,1/4+y'
  '3/4-y,1/2+z,1/4-x'
  '3/4-y,+z,3/4-x'
  '1/4-y,1/2+z,3/4-x'
  '1/4-y,+z,1/4-x'
  '3/4+x,1/2-y,1/4+z'
  '3/4+x,-y,3/4+z'
  '1/4+x,1/2-y,3/4+z'
  '1/4+x,-y,1/4+z'
  '3/4-z,1/2+x,1/4-y'
  '3/4-z,+x,3/4-y'
  '1/4-z,1/2+x,3/4-y'
  '1/4-z,+x,1/4-y'
  '3/4+y,1/2-z,1/4+x'
  '3/4+y,-z,3/4+x'
  '1/4+y,1/2-z,3/4+x'
  '1/4+y,-z,1/4+x'
  '3/4-x,1/2+y,1/4-z'
  '3/4-x,+y,3/4-z'
  '1/4-x,1/2+y,3/4-z'
  '1/4-x,+y,1/4-z'
  '1/2+x,3/4-z,1/4-y'
  '1/2+x,1/4-z,3/4-y'
  '+x,3/4-z,3/4-y'
  '+x,1/4-z,1/4-y'
  '1/2-z,3/4+y,1/4+x'
  '1/2-z,1/4+y,3/4+x'
  '-z,3/4+y,3/4+x'
  '-z,1/4+y,1/4+x'
  '1/2+y,3/4-x,1/4-z'
  '1/2+y,1/4-x,3/4-z'
  '+y,3/4-x,3/4-z'
  '+y,1/4-x,1/4-z'
  '1/2-x,3/4+z,1/4+y'
  '1/2-x,1/4+z,3/4+y'
  '-x,3/4+z,3/4+y'
  '-x,1/4+z,1/4+y'
  '1/2+z,3/4-y,1/4-x'
  '1/2+z,1/4-y,3/4-x'
  '+z,3/4-y,3/4-x'
  '+z,1/4-y,1/4-x'
  '1/2-y,3/4+x,1/4+z'
  '1/2-y,1/4+x,3/4+z'
  '-y,3/4+x,3/4+z'
  '-y,1/4+x,1/4+z'
  'x,1/2+z,1/2+y'
  'x,+z,+y'
  '1/2+x,1/2+z,+y'
  '1/2+x,+z,1/2+y'
  '-z,1/2-y,1/2-x'
  '-z,-y,-x'
  '1/2-z,1/2-y,-x'
  '1/2-z,-y,1/2-x'
  'y,1/2+x,1/2+z'
  'y,+x,+z'
  '1/2+y,1/2+x,+z'
  '1/2+y,+x,1/2+z'
  '-x,1/2-z,1/2-y'
  '-x,-z,-y'
  '1/2-x,1/2-z,-y'
  '1/2-x,-z,1/2-y'
  'z,1/2+y,1/2+x'
  'z,+y,+x'
  '1/2+z,1/2+y,+x'
  '1/2+z,+y,1/2+x'
  '-y,1/2-x,1/2-z'
  '-y,-x,-z'
  '1/2-y,1/2-x,-z'
  '1/2-y,-x,1/2-z'
  '3/4+z,1/4+x,1/2-y'
  '3/4+z,3/4+x,-y'
  '1/4+z,1/4+x,-y'
  '1/4+z,3/4+x,1/2-y'
  '3/4-y,1/4-z,1/2+x'
  '3/4-y,3/4-z,+x'
  '1/4-y,1/4-z,+x'
  '1/4-y,3/4-z,1/2+x'
  '3/4+x,1/4+y,1/2-z'
  '3/4+x,3/4+y,-z'
  '1/4+x,1/4+y,-z'
  '1/4+x,3/4+y,1/2-z'
  '3/4-z,1/4-x,1/2+y'
  '3/4-z,3/4-x,+y'
  '1/4-z,1/4-x,+y'
  '1/4-z,3/4-x,1/2+y'
  '3/4+y,1/4+z,1/2-x'
  '3/4+y,3/4+z,-x'
  '1/4+y,1/4+z,-x'
  '1/4+y,3/4+z,1/2-x'
  '3/4-x,1/4-y,1/2+z'
  '3/4-x,3/4-y,+z'
  '1/4-x,1/4-y,+z'
  '1/4-x,3/4-y,1/2+z'
  '-z,3/4+x,3/4+y'
  '-z,1/4+x,1/4+y'
  '1/2-z,3/4+x,1/4+y'
  '1/2-z,1/4+x,3/4+y'
  'y,3/4-z,3/4-x'
  'y,1/4-z,1/4-x'
  '1/2+y,3/4-z,1/4-x'
  '1/2+y,1/4-z,3/4-x'
  '-x,3/4+y,3/4+z'
  '-x,1/4+y,1/4+z'
  '1/2-x,3/4+y,1/4+z'
  '1/2-x,1/4+y,3/4+z'
  'z,3/4-x,3/4-y'
  'z,1/4-x,1/4-y'
  '1/2+z,3/4-x,1/4-y'
  '1/2+z,1/4-x,3/4-y'
  '-y,3/4+z,3/4+x'
  '-y,1/4+z,1/4+x'
  '1/2-y,3/4+z,1/4+x'
  '1/2-y,1/4+z,3/4+x'
  'x,3/4-y,3/4-z'
  'x,1/4-y,1/4-z'
  '1/2+x,3/4-y,1/4-z'
  '1/2+x,1/4-y,3/4-z'
  '1/4-x,1/2+z,3/4-y'
  '1/4-x,+z,1/4-y'
  '3/4-x,1/2+z,1/4-y'
  '3/4-x,+z,3/4-y'
  '1/4+z,1/2-y,3/4+x'
  '1/4+z,-y,1/4+x'
  '3/4+z,1/2-y,1/4+x'
  '3/4+z,-y,3/4+x'
  '1/4-y,1/2+x,3/4-z'
  '1/4-y,+x,1/4-z'
  '3/4-y,1/2+x,1/4-z'
  '3/4-y,+x,3/4-z'
  '1/4+x,1/2-z,3/4+y'
  '1/4+x,-z,1/4+y'
  '3/4+x,1/2-z,1/4+y'
  '3/4+x,-z,3/4+y'
  '1/4-z,1/2+y,3/4-x'
  '1/4-z,+y,1/4-x'
  '3/4-z,1/2+y,1/4-x'
  '3/4-z,+y,3/4-x'
  '1/4+y,1/2-x,3/4+z'
  '1/4+y,-x,1/4+z'
  '3/4+y,1/2-x,1/4+z'
  '3/4+y,-x,3/4+z'
  '3/4-x,3/4-z,y'
  '3/4-x,1/4-z,1/2+y'
  '1/4-x,3/4-z,1/2+y'
  '1/4-x,1/4-z,y'
  '3/4+z,3/4+y,-x'
  '3/4+z,1/4+y,1/2-x'
  '1/4+z,3/4+y,1/2-x'
  '1/4+z,1/4+y,-x'
  '3/4-y,3/4-x,z'
  '3/4-y,1/4-x,1/2+z'
  '1/4-y,3/4-x,1/2+z'
  '1/4-y,1/4-x,z'
  '3/4+x,3/4+z,-y'
  '3/4+x,1/4+z,1/2-y'
  '1/4+x,3/4+z,1/2-y'
  '1/4+x,1/4+z,-y'
  '3/4-z,3/4-y,x'
  '3/4-z,1/4-y,1/2+x'
  '1/4-z,3/4-y,1/2+x'
  '1/4-z,1/4-y,x'
  '3/4+y,3/4+x,-z'
  '3/4+y,1/4+x,1/2-z'
  '1/4+y,3/4+x,1/2-z'
  '1/4+y,1/4+x,-z'
  '-z,-x,-y'
  '-z,1/2-x,1/2-y'
  '1/2-z,-x,1/2-y'
  '1/2-z,1/2-x,-y'
  'y,z,x'
  'y,1/2+z,1/2+x'
  '1/2+y,z,1/2+x'
  '1/2+y,1/2+z,x'
  '-x,-y,-z'
  '-x,1/2-y,1/2-z'
  '1/2-x,-y,1/2-z'
  '1/2-x,1/2-y,-z'
  'z,x,y'
  'z,1/2+x,1/2+y'
  '1/2+z,x,1/2+y'
  '1/2+z,1/2+x,y'
  '-y,-z,-x'
  '-y,1/2-z,1/2-x'
  '1/2-y,-z,1/2-x'
  '1/2-y,1/2-z,-x'
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
AlT   0.12500   0.12500   0.12500   0.12500   0.01190
MgT   0.12500   0.12500   0.12500   0.87100   0.01190
ZnT   0.12500   0.12500   0.12500   0.00400   0.01190
AlM   0.50000   0.50000   0.50000   0.90600   0.00880
MgM   0.50000   0.50000   0.50000   0.06250   0.00880
CrM   0.50000   0.50000   0.50000   0.03050   0.00880
FeM   0.50000   0.50000   0.50000   0.00100   0.00880
O   0.26348   0.26348   0.26348   1.00000   0.01020