data_global
_amcsd_formula_title 'CoAl2O4'
loop_
_publ_author_name
'Bosi F'
'Halenius U'
'D'Ippolito V'
'Andreozzi G B'
_journal_name_full 'American Mineralogist'
_journal_volume 97 
_journal_year 2012
_journal_page_first 1834
_journal_page_last 1840
_publ_section_title
;
 Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II.
 Cation ordering over short-range and long-range scales
 Sample: CoAl100
;
_database_code_amcsd 0019583
_chemical_compound_source 'Synthetic'
_chemical_formula_sum '(Co Al2) O4'
_cell_length_a 8.1047
_cell_length_b 8.1047
_cell_length_c 8.1047
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 532.367
_exptl_crystal_density_diffrn      4.414
_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
CoT   0.12500   0.12500   0.12500   0.87000
AlT   0.12500   0.12500   0.12500   0.13000
CoM   0.50000   0.50000   0.50000   0.06500
AlM   0.50000   0.50000   0.50000   0.93500
O   0.26355   0.26355   0.26355   1.00000
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
CoT 0.00524 0.00524 0.00524 0.00000 0.00000 0.00000
AlT 0.00524 0.00524 0.00524 0.00000 0.00000 0.00000
CoM 0.00400 0.00400 0.00400 -0.00028 -0.00028 -0.00028
AlM 0.00400 0.00400 0.00400 -0.00028 -0.00028 -0.00028
O 0.00740 0.00740 0.00740 -0.00020 -0.00020 -0.00020