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 = 61 GPa
;
_database_code_amcsd 0019933
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Fe2 Ti O4'
_cell_length_a 9.059
_cell_length_b 2.659
_cell_length_c 9.166
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 220.790
_exptl_crystal_density_diffrn      6.726
_symmetry_space_group_name_H-M 'P m m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,-y,z'
  '-x,y,-z'
  '1/2-x,y,z'
  '1/2+x,-y,-z'
  '1/2+x,y,-z'
  '1/2-x,-y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe1   0.25000   0.00000   0.39200
Fe2   0.25000   0.50000   0.89900
Fe3   0.09000   0.00000   0.13600
Ti   0.05700   0.50000   0.61000
O11   0.00000   0.00000   0.50000
O12   0.00000   0.50000   0.00000
O21   0.25000   0.50000   0.56100
O22   0.25000   0.00000   0.05100
O31   0.40000   0.50000   0.27200
O32   0.41800   0.00000   0.78300