data_global
_chemical_name_mineral 'Spinelloid'
loop_
_publ_author_name
'Woodland A B'
'Angel R J'
'Koch M'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 24 
_journal_year 2012
_journal_page_first 657
_journal_page_last 668
_publ_section_title
;
 Structural systematics of spinel and spinelloid phases in the system
 MFe2O4-M2SiO4 with M = Fe2+ and Mg
 Sample: 4f8v0095, Spinelloid-II
;
_database_code_amcsd 0019352
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Mg.17 Fe2.38 Si.45 O4'
_cell_length_a 5.8448
_cell_length_b 17.9749
_cell_length_c 8.3771
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 880.096
_exptl_crystal_density_diffrn      4.838
_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
MgM1   0.25000   0.25000   0.75000   0.04550   0.00720
FeM1   0.25000   0.25000   0.75000   0.95450   0.00720
MgM2   0.25000   0.08441   0.75000   0.01300   0.00760
FeM2   0.25000   0.08441   0.75000   0.98700   0.00760
MgM3   0.00000   0.16670   0.02907   0.18800   0.00500
FeM3   0.00000   0.16670   0.02907   0.81200   0.00500
MgM4   0.00000   0.00000   0.00000   0.06300   0.00610
FeM4   0.00000   0.00000   0.00000   0.93700   0.00610
SiT1   0.00000   0.42074   0.38011   0.27560   0.00570
FeT1   0.00000   0.42074   0.38011   0.72440   0.00570
SiT2   0.00000   0.25000   0.38790   0.79870   0.00310
FeT2   0.00000   0.25000   0.38790   0.20130   0.00310
O1   0.00000   0.83190   0.22680   1.00000   0.01160
O2   0.00000  -0.00060   0.24970   1.00000   0.01480
O3   0.00000   0.17140   0.27750   1.00000   0.01720
O4   0.25930   0.25000  -0.00090   1.00000   0.01060
O5   0.24670   0.08136  -0.00300   1.00000   0.01140
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
MgM1 0.00910 0.00360 0.00880 0.00000 0.00090 0.00000
FeM1 0.00910 0.00360 0.00880 0.00000 0.00090 0.00000
MgM2 0.01030 0.00480 0.00750 0.00000 0.00060 0.00000
FeM2 0.01030 0.00480 0.00750 0.00000 0.00060 0.00000
MgM3 0.00520 0.00360 0.00620 0.00000 0.00000 -0.00020
FeM3 0.00520 0.00360 0.00620 0.00000 0.00000 -0.00020
MgM4 0.00630 0.00320 0.00890 0.00000 0.00000 -0.00030
FeM4 0.00630 0.00320 0.00890 0.00000 0.00000 -0.00030
SiT1 0.00630 0.00340 0.00730 0.00000 0.00000 0.00080
FeT1 0.00630 0.00340 0.00730 0.00000 0.00000 0.00080
SiT2 0.00320 0.00080 0.00530 0.00000 0.00000 0.00000
FeT2 0.00320 0.00080 0.00530 0.00000 0.00000 0.00000
O1 0.01200 0.00700 0.01600 0.00000 0.00000 0.00130
O2 0.01100 0.01700 0.01600 0.00000 0.00000 0.00200
O3 0.01200 0.02800 0.01100 0.00000 0.00000 -0.00220
O4 0.01600 0.00420 0.01100 0.00000 -0.00100 0.00000
O5 0.01600 0.00270 0.01510 -0.00020 0.00610 0.00080