data_global
_chemical_name_mineral 'Spinelloid'
loop_
_publ_author_name
'Angel R J'
'Woodland A B'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 10 
_journal_year 1998
_journal_page_first 607
_journal_page_last 611
_publ_section_title
;
 Crystal structure of spinelloid II in the system Fe3O4-Fe2SiO4
;
_database_code_amcsd 0006752
_chemical_formula_sum 'Fe2.57 Si.43 O4'
_cell_length_a 5.85928
_cell_length_b 17.9801
_cell_length_c 8.38395
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 883.253
_exptl_crystal_density_diffrn      4.954
_symmetry_space_group_name_H-M 'I m m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'x,1/2-y,z'
  '1/2+x,-y,1/2+z'
  '-x,1/2+y,-z'
  '1/2-x,+y,1/2-z'
  '-x,y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,-y,-z'
  '1/2+x,1/2-y,1/2-z'
  'x,1/2+y,-z'
  '1/2+x,+y,1/2-z'
  '-x,1/2-y,z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
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
FeM1   0.25000   0.25000   0.75000   1.00000   0.01229
FeM2   0.25000   0.08428   0.75000   1.00000   0.01292
FeM3   0.00000   0.16675   0.02950   1.00000   0.01127
FeM4   0.00000   0.00000   0.00000   1.00000   0.01191
SiT1   0.00000   0.42088   0.38048   0.43000   0.01039
FeT1   0.00000   0.42088   0.38048   0.57000   0.01039
SiT2   0.00000   0.25000   0.38763   0.43000   0.00937
FeT2   0.00000   0.25000   0.38763   0.57000   0.00937
O1   0.00000   0.83210   0.22750   1.00000   0.01279
O2   0.00000  -0.00035   0.24943   1.00000   0.01710
O3   0.00000   0.17090   0.27754   1.00000   0.01900
O4   0.26020   0.25000  -0.00132   1.00000   0.01368
O5   0.24800   0.08100  -0.00328   1.00000   0.01456
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
FeM1 0.01391 0.01179 0.01154 0.00000 0.00075 0.00000
FeM2 0.01496 0.01196 0.01168 0.00000 0.00017 0.00000
FeM3 0.01096 0.01212 0.01065 0.00000 0.00000 -0.00008
FeM4 0.01096 0.01179 0.01275 0.00000 0.00000 -0.00008
SiT1 0.00957 0.01081 0.01068 0.00000 0.00000 0.00038
FeT1 0.00957 0.01081 0.01068 0.00000 0.00000 0.00038
SiT2 0.00887 0.00966 0.00997 0.00000 0.00000 0.00000
FeT2 0.00887 0.00966 0.00997 0.00000 0.00000 0.00000
O1 0.01252 0.01441 0.01140 0.00000 0.00000 -0.00023
O2 0.01339 0.02211 0.01602 0.00000 0.00000 0.00466
O3 0.01339 0.03488 0.00855 0.00000 0.00000 0.00084
O4 0.01704 0.01228 0.01175 0.00000 -0.00025 0.00000
O5 0.01861 0.01097 0.01424 -0.00075 0.00324 -0.00107