The compound described by MgFe6Sb10(O3I)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one Sb(3), one I(2), one I(3), and one I(5) atom. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 3-coordinate geometry to one O(12), one O(3), one O(5), one I(3), and one I(5) atom. In the second Fe site, Fe(2) is bonded in a 3-coordinate geometry to one O(11), one O(4), one O(6), one I(4), and one I(6) atom. In the third Fe site, Fe(3) is bonded in a distorted see-saw-like geometry to one O(1), one O(10), one O(2), one O(5), one I(2), and one I(3) atom. In the fourth Fe site, Fe(4) is bonded in a distorted see-saw-like geometry to one O(1), one O(2), one O(6), one O(9), and one I(1) atom. In the fifth Fe site, Fe(5) is bonded in a 6-coordinate geometry to one O(18), one O(2), one O(5), one O(7), one O(8), and one I(1) atom. In the sixth Fe site, Fe(6) is bonded in a 6-coordinate geometry to one O(1), one O(17), one O(6), one O(7), one O(8), and one I(2) atom. There are ten inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 3-coordinate geometry to one O(16), one O(3), one O(4), and one I(5) atom. In the second Sb site, Sb(2) is bonded in a 3-coordinate geometry to one O(15), one O(3), one O(4), and one I(6) atom. In the third Sb site, Sb(3) is bonded in a 6-coordinate geometry to one Mg(1), one O(10), one O(12), one O(13), one O(16), and one O(18) atom. In the fourth Sb site, Sb(4) is bonded in a 5-coordinate geometry to one O(11), one O(14), one O(15), one O(17), and one O(9) atom. In the fifth Sb site, Sb(5) is bonded in a distorted T-shaped geometry to one O(11), one O(7), one O(9), and one I(1) atom. In the sixth Sb site, Sb(6) is bonded in a distorted T-shaped geometry to one O(10), one O(12), and one O(8) atom. In the seventh Sb site, Sb(7) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(13), one O(18), and one O(7) atom. In the eighth Sb site, Sb(8) is bonded in a 4-coordinate geometry to one O(14), one O(17), one O(2), and one O(8) atom. In the ninth Sb site, Sb(9) is bonded in a 3-coordinate geometry to one O(13), one O(16), one O(5), and one I(1) atom. In the tenth Sb site, Sb(10) is bonded in a 3-coordinate geometry to one O(14), one O(15), one O(6), and one I(2) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded to one Fe(3), one Fe(4), one Fe(6), and one Sb(7) atom to form OFe3Sb tetrahedra that share  a cornercorner with one O(5)Fe3Sb tetrahedra,  a cornercorner with one O(8)Fe2Sb2 trigonal pyramid,  an edgeedge with one O(2)Fe3Sb tetrahedra,  an edgeedge with one O(6)Fe3Sb tetrahedra, and  an edgeedge with one O(7)Fe2Sb2 trigonal pyramid. In the second O site, O(2) is bonded to one Fe(3), one Fe(4), one Fe(5), and one Sb(8) atom to form OFe3Sb tetrahedra that share  a cornercorner with one O(6)Fe3Sb tetrahedra,  a cornercorner with one O(7)Fe2Sb2 trigonal pyramid,  an edgeedge with one O(1)Fe3Sb tetrahedra,  an edgeedge with one O(5)Fe3Sb tetrahedra, and  an edgeedge with one O(8)Fe2Sb2 trigonal pyramid. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Fe(1), one Sb(1), and one Sb(2) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Fe(2), one Sb(1), and one Sb(2) atom. In the fifth O site, O(5) is bonded to one Fe(1), one Fe(3), one Fe(5), and one Sb(9) atom to form OFe3Sb tetrahedra that share  a cornercorner with one O(1)Fe3Sb tetrahedra,  a cornercorner with one O(7)Fe2Sb2 trigonal pyramid,  a cornercorner with one O(8)Fe2Sb2 trigonal pyramid, and  an edgeedge with one O(2)Fe3Sb tetrahedra. In the sixth O site, O(6) is bonded to one Fe(2), one Fe(4), one Fe(6), and one Sb(10) atom to form OFe3Sb tetrahedra that share  a cornercorner with one O(2)Fe3Sb tetrahedra,  a cornercorner with one O(7)Fe2Sb2 trigonal pyramid,  a cornercorner with one O(8)Fe2Sb2 trigonal pyramid, and  an edgeedge with one O(1)Fe3Sb tetrahedra. In the seventh O site, O(7) is bonded to one Fe(5), one Fe(6), one Sb(5), and one Sb(7) atom to form distorted OFe2Sb2 trigonal pyramids that share  a cornercorner with one O(2)Fe3Sb tetrahedra,  a cornercorner with one O(5)Fe3Sb tetrahedra,  a cornercorner with one O(6)Fe3Sb tetrahedra,  an edgeedge with one O(1)Fe3Sb tetrahedra, and  an edgeedge with one O(8)Fe2Sb2 trigonal pyramid. In the eighth O site, O(8) is bonded to one Fe(5), one Fe(6), one Sb(6), and one Sb(8) atom to form distorted OFe2Sb2 trigonal pyramids that share  a cornercorner with one O(1)Fe3Sb tetrahedra,  a cornercorner with one O(5)Fe3Sb tetrahedra,  a cornercorner with one O(6)Fe3Sb tetrahedra,  an edgeedge with one O(2)Fe3Sb tetrahedra, and  an edgeedge with one O(7)Fe2Sb2 trigonal pyramid. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Fe(4), one Sb(4), and one Sb(5) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Fe(3), one Sb(3), and one Sb(6) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Fe(2), one Sb(4), and one Sb(5) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Fe(1), one Sb(3), and one Sb(6) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Sb(3), one Sb(7), and one Sb(9) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Sb(10), one Sb(4), and one Sb(8) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Sb(10), one Sb(2), and one Sb(4) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Sb(1), one Sb(3), and one Sb(9) atom. In the seventeenth O site, O(17) is bonded in a trigonal non-coplanar geometry to one Fe(6), one Sb(4), and one Sb(8) atom. In the eighteenth O site, O(18) is bonded in a trigonal planar geometry to one Fe(5), one Sb(3), and one Sb(7) atom. There are six inequivalent I sites. In the first I site, I(1) is bonded in a 4-coordinate geometry to one Fe(4), one Fe(5), one Sb(5), and one Sb(9) atom. In the second I site, I(2) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(3), one Fe(6), and one Sb(10) atom. In the third I site, I(3) is bonded in a 3-coordinate geometry to one Mg(1), one Fe(1), and one Fe(3) atom. In the fourth I site, I(4) is bonded in a 1-coordinate geometry to one Fe(2) atom. In the fifth I site, I(5) is bonded in a 3-coordinate geometry to one Mg(1), one Fe(1), and one Sb(1) atom. In the sixth I site, I(6) is bonded in a 2-coordinate geometry to one Fe(2) and one Sb(2) atom. is represented by the CIF file [CIF]
data_MgFe6Sb10(IO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.150
_cell_length_b   9.504
_cell_length_c   12.672
_cell_angle_alpha   85.229
_cell_angle_beta   86.038
_cell_angle_gamma   74.030
_symmetry_Int_Tables_number   1
_cell_volume   939.225
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mg  Mg0  1  0.320  0.475  0.258  1.0
  Fe  Fe1  1  0.723  0.989  0.345  1.0
  Fe  Fe2  1  0.288  0.011  0.655  1.0
  Fe  Fe3  1  0.027  0.960  0.123  1.0
  Fe  Fe4  1  0.979  0.040  0.876  1.0
  Fe  Fe5  1  0.623  0.085  0.063  1.0
  Fe  Fe6  1  0.382  0.916  0.931  1.0
  Sb  Sb7  1  0.900  0.175  0.510  1.0
  Sb  Sb8  1  0.117  0.831  0.490  1.0
  Sb  Sb9  1  0.261  0.160  0.266  1.0
  Sb  Sb10  1  0.741  0.853  0.734  1.0
  Sb  Sb11  1  0.541  0.197  0.776  1.0
  Sb  Sb12  1  0.463  0.811  0.222  1.0
  Sb  Sb13  1  0.207  0.249  0.002  1.0
  Sb  Sb14  1  0.797  0.750  0.994  1.0
  Sb  Sb15  1  0.817  0.296  0.224  1.0
  Sb  Sb16  1  0.186  0.706  0.773  1.0
  I  I17  1  0.738  0.335  0.960  1.0
  I  I18  1  0.274  0.655  0.032  1.0
  I  I19  1  0.905  0.699  0.282  1.0
  I  I20  1  0.113  0.299  0.718  1.0
  I  I21  1  0.518  0.266  0.461  1.0
  I  I22  1  0.494  0.717  0.570  1.0
  O  O23  1  0.151  0.056  0.987  1.0
  O  O24  1  0.854  0.942  0.012  1.0
  O  O25  1  0.872  0.977  0.468  1.0
  O  O26  1  0.150  0.026  0.527  1.0
  O  O27  1  0.801  0.094  0.202  1.0
  O  O28  1  0.208  0.906  0.798  1.0
  O  O29  1  0.449  0.129  0.918  1.0
  O  O30  1  0.556  0.871  0.077  1.0
  O  O31  1  0.782  0.048  0.781  1.0
  O  O32  1  0.225  0.951  0.214  1.0
  O  O33  1  0.503  0.026  0.709  1.0
  O  O34  1  0.506  0.979  0.290  1.0
  O  O35  1  0.056  0.256  0.156  1.0
  O  O36  1  0.947  0.752  0.842  1.0
  O  O37  1  0.051  0.783  0.640  1.0
  O  O38  1  0.948  0.237  0.360  1.0
  O  O39  1  0.624  0.811  0.878  1.0
  O  O40  1  0.380  0.184  0.117  1.0
[/CIF]
.
The compound described by MgFe6Sb10(O3I)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one Sb(3), one I(2), one I(3), and one I(5) atom. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 3-coordinate geometry to one O(12), one O(3), one O(5), one I(3), and one I(5) atom. In the second Fe site, Fe(2) is bonded in a 3-coordinate geometry to one O(11), one O(4), one O(6), one I(4), and one I(6) atom. In the third Fe site, Fe(3) is bonded in a distorted see-saw-like geometry to one O(1), one O(10), one O(2), one O(5), one I(2), and one I(3) atom. In the fourth Fe site, Fe(4) is bonded in a distorted see-saw-like geometry to one O(1), one O(2), one O(6), one O(9), and one I(1) atom. In the fifth Fe site, Fe(5) is bonded in a 6-coordinate geometry to one O(18), one O(2), one O(5), one O(7), one O(8), and one I(1) atom. In the sixth Fe site, Fe(6) is bonded in a 6-coordinate geometry to one O(1), one O(17), one O(6), one O(7), one O(8), and one I(2) atom. There are ten inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 3-coordinate geometry to one O(16), one O(3), one O(4), and one I(5) atom. In the second Sb site, Sb(2) is bonded in a 3-coordinate geometry to one O(15), one O(3), one O(4), and one I(6) atom. In the third Sb site, Sb(3) is bonded in a 6-coordinate geometry to one Mg(1), one O(10), one O(12), one O(13), one O(16), and one O(18) atom. In the fourth Sb site, Sb(4) is bonded in a 5-coordinate geometry to one O(11), one O(14), one O(15), one O(17), and one O(9) atom. In the fifth Sb site, Sb(5) is bonded in a distorted T-shaped geometry to one O(11), one O(7), one O(9), and one I(1) atom. In the sixth Sb site, Sb(6) is bonded in a distorted T-shaped geometry to one O(10), one O(12), and one O(8) atom. In the seventh Sb site, Sb(7) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(13), one O(18), and one O(7) atom. In the eighth Sb site, Sb(8) is bonded in a 4-coordinate geometry to one O(14), one O(17), one O(2), and one O(8) atom. In the ninth Sb site, Sb(9) is bonded in a 3-coordinate geometry to one O(13), one O(16), one O(5), and one I(1) atom. In the tenth Sb site, Sb(10) is bonded in a 3-coordinate geometry to one O(14), one O(15), one O(6), and one I(2) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded to one Fe(3), one Fe(4), one Fe(6), and one Sb(7) atom to form OFe3Sb tetrahedra that share  a cornercorner with one O(5)Fe3Sb tetrahedra,  a cornercorner with one O(8)Fe2Sb2 trigonal pyramid,  an edgeedge with one O(2)Fe3Sb tetrahedra,  an edgeedge with one O(6)Fe3Sb tetrahedra, and  an edgeedge with one O(7)Fe2Sb2 trigonal pyramid. In the second O site, O(2) is bonded to one Fe(3), one Fe(4), one Fe(5), and one Sb(8) atom to form OFe3Sb tetrahedra that share  a cornercorner with one O(6)Fe3Sb tetrahedra,  a cornercorner with one O(7)Fe2Sb2 trigonal pyramid,  an edgeedge with one O(1)Fe3Sb tetrahedra,  an edgeedge with one O(5)Fe3Sb tetrahedra, and  an edgeedge with one O(8)Fe2Sb2 trigonal pyramid. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Fe(1), one Sb(1), and one Sb(2) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Fe(2), one Sb(1), and one Sb(2) atom. In the fifth O site, O(5) is bonded to one Fe(1), one Fe(3), one Fe(5), and one Sb(9) atom to form OFe3Sb tetrahedra that share  a cornercorner with one O(1)Fe3Sb tetrahedra,  a cornercorner with one O(7)Fe2Sb2 trigonal pyramid,  a cornercorner with one O(8)Fe2Sb2 trigonal pyramid, and  an edgeedge with one O(2)Fe3Sb tetrahedra. In the sixth O site, O(6) is bonded to one Fe(2), one Fe(4), one Fe(6), and one Sb(10) atom to form OFe3Sb tetrahedra that share  a cornercorner with one O(2)Fe3Sb tetrahedra,  a cornercorner with one O(7)Fe2Sb2 trigonal pyramid,  a cornercorner with one O(8)Fe2Sb2 trigonal pyramid, and  an edgeedge with one O(1)Fe3Sb tetrahedra. In the seventh O site, O(7) is bonded to one Fe(5), one Fe(6), one Sb(5), and one Sb(7) atom to form distorted OFe2Sb2 trigonal pyramids that share  a cornercorner with one O(2)Fe3Sb tetrahedra,  a cornercorner with one O(5)Fe3Sb tetrahedra,  a cornercorner with one O(6)Fe3Sb tetrahedra,  an edgeedge with one O(1)Fe3Sb tetrahedra, and  an edgeedge with one O(8)Fe2Sb2 trigonal pyramid. In the eighth O site, O(8) is bonded to one Fe(5), one Fe(6), one Sb(6), and one Sb(8) atom to form distorted OFe2Sb2 trigonal pyramids that share  a cornercorner with one O(1)Fe3Sb tetrahedra,  a cornercorner with one O(5)Fe3Sb tetrahedra,  a cornercorner with one O(6)Fe3Sb tetrahedra,  an edgeedge with one O(2)Fe3Sb tetrahedra, and  an edgeedge with one O(7)Fe2Sb2 trigonal pyramid. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Fe(4), one Sb(4), and one Sb(5) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Fe(3), one Sb(3), and one Sb(6) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Fe(2), one Sb(4), and one Sb(5) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Fe(1), one Sb(3), and one Sb(6) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Sb(3), one Sb(7), and one Sb(9) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Sb(10), one Sb(4), and one Sb(8) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Sb(10), one Sb(2), and one Sb(4) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Sb(1), one Sb(3), and one Sb(9) atom. In the seventeenth O site, O(17) is bonded in a trigonal non-coplanar geometry to one Fe(6), one Sb(4), and one Sb(8) atom. In the eighteenth O site, O(18) is bonded in a trigonal planar geometry to one Fe(5), one Sb(3), and one Sb(7) atom. There are six inequivalent I sites. In the first I site, I(1) is bonded in a 4-coordinate geometry to one Fe(4), one Fe(5), one Sb(5), and one Sb(9) atom. In the second I site, I(2) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(3), one Fe(6), and one Sb(10) atom. In the third I site, I(3) is bonded in a 3-coordinate geometry to one Mg(1), one Fe(1), and one Fe(3) atom. In the fourth I site, I(4) is bonded in a 1-coordinate geometry to one Fe(2) atom. In the fifth I site, I(5) is bonded in a 3-coordinate geometry to one Mg(1), one Fe(1), and one Sb(1) atom. In the sixth I site, I(6) is bonded in a 2-coordinate geometry to one Fe(2) and one Sb(2) atom. is represented by the CIF file [CIF]
data_MgFe6Sb10(IO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.150
_cell_length_b   9.504
_cell_length_c   12.672
_cell_angle_alpha   85.229
_cell_angle_beta   86.038
_cell_angle_gamma   74.030
_symmetry_Int_Tables_number   1
_cell_volume   939.225
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mg  Mg0  1  0.320  0.475  0.258  1.0
  Fe  Fe1  1  0.723  0.989  0.345  1.0
  Fe  Fe2  1  0.288  0.011  0.655  1.0
  Fe  Fe3  1  0.027  0.960  0.123  1.0
  Fe  Fe4  1  0.979  0.040  0.876  1.0
  Fe  Fe5  1  0.623  0.085  0.063  1.0
  Fe  Fe6  1  0.382  0.916  0.931  1.0
  Sb  Sb7  1  0.900  0.175  0.510  1.0
  Sb  Sb8  1  0.117  0.831  0.490  1.0
  Sb  Sb9  1  0.261  0.160  0.266  1.0
  Sb  Sb10  1  0.741  0.853  0.734  1.0
  Sb  Sb11  1  0.541  0.197  0.776  1.0
  Sb  Sb12  1  0.463  0.811  0.222  1.0
  Sb  Sb13  1  0.207  0.249  0.002  1.0
  Sb  Sb14  1  0.797  0.750  0.994  1.0
  Sb  Sb15  1  0.817  0.296  0.224  1.0
  Sb  Sb16  1  0.186  0.706  0.773  1.0
  I  I17  1  0.738  0.335  0.960  1.0
  I  I18  1  0.274  0.655  0.032  1.0
  I  I19  1  0.905  0.699  0.282  1.0
  I  I20  1  0.113  0.299  0.718  1.0
  I  I21  1  0.518  0.266  0.461  1.0
  I  I22  1  0.494  0.717  0.570  1.0
  O  O23  1  0.151  0.056  0.987  1.0
  O  O24  1  0.854  0.942  0.012  1.0
  O  O25  1  0.872  0.977  0.468  1.0
  O  O26  1  0.150  0.026  0.527  1.0
  O  O27  1  0.801  0.094  0.202  1.0
  O  O28  1  0.208  0.906  0.798  1.0
  O  O29  1  0.449  0.129  0.918  1.0
  O  O30  1  0.556  0.871  0.077  1.0
  O  O31  1  0.782  0.048  0.781  1.0
  O  O32  1  0.225  0.951  0.214  1.0
  O  O33  1  0.503  0.026  0.709  1.0
  O  O34  1  0.506  0.979  0.290  1.0
  O  O35  1  0.056  0.256  0.156  1.0
  O  O36  1  0.947  0.752  0.842  1.0
  O  O37  1  0.051  0.783  0.640  1.0
  O  O38  1  0.948  0.237  0.360  1.0
  O  O39  1  0.624  0.811  0.878  1.0
  O  O40  1  0.380  0.184  0.117  1.0
[/CIF]
.