data_global
_chemical_name_mineral 'Ulvospinel'
loop_
_publ_author_name
'Yamanaka T'
'Kyono A'
'Nakamoto Y'
'Meng Y'
'Kharlamova S'
'Struzhkin V V'
'Mao H'
_journal_name_full 'American Mineralogist'
_journal_volume 98 
_journal_year 2013
_journal_page_first 736
_journal_page_last 744
_publ_section_title
;
 High-pressure phase transitions of Fe3-xTixO4 solid solution
 up to 60 GPa correlated with electronic spin transition
 Note: P = 50 GPa
;
_database_code_amcsd 0019932
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Fe2 Ti O4'
_cell_length_a 2.685
_cell_length_b 9.228
_cell_length_c 9.099
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 225.448
_exptl_crystal_density_diffrn      6.587
_symmetry_space_group_name_H-M 'C m c m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,y,z'
  '1/2-x,1/2+y,z'
  'x,-y,-z'
  '1/2+x,1/2-y,-z'
  'x,y,1/2-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe1   0.00000   0.39600   0.25000   1.00000
Ti2   0.00000   0.13300   0.06800   0.50000
Fe2   0.00000   0.13300   0.06800   0.50000
O1   0.00000   0.10900   0.25000   1.00000
O2   0.00000   0.26100   0.62300   1.00000
O3   0.00000   0.50000   0.00000   1.00000