The structure described by MgFe6Sb10(O3I)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 2-coordinate geometry to one O(14), one O(15), one I(1), and one I(4) 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 distorted T-shaped 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), and one I(2) atom. In the fourth Fe site, Fe(4) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(6), one O(9), and one I(4) atom. In the fifth Fe site, Fe(5) is bonded in a 5-coordinate geometry to one O(18), one O(2), one O(5), one O(7), and one O(8) atom. In the sixth Fe site, Fe(6) is bonded in a 4-coordinate geometry to one O(1), one O(17), 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 5-coordinate geometry to 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 2-coordinate geometry to one O(11), 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), and one O(9) atom. In the sixth Sb site, Sb(6) is bonded in a 3-coordinate geometry to one O(10), one O(12), one O(8), and one I(2) atom. In the seventh Sb site, Sb(7) is bonded in a distorted trigonal pyramidal 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 distorted rectangular see-saw-like 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 distorted T-shaped geometry to one O(13), one O(16), and one O(5) 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 a mixture of corner and edge-sharing OFe3Sb tetrahedra. 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 edge-sharing OFe3Sb tetrahedra. 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 planar 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 a mixture of corner and edge-sharing OFe3Sb tetrahedra. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one Sb(10) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Fe(5), one Fe(6), one Sb(5), and one Sb(7) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Fe(5), one Fe(6), one Sb(6), and one Sb(8) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Fe(4), one Sb(4), and one Sb(5) atom. In the tenth O site, O(10) is bonded in a 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 3-coordinate 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 Mg(1), one Sb(10), and one Sb(8) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Mg(1), one Sb(10), and one Sb(2) 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 planar 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 non-coplanar 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 distorted single-bond geometry to one Mg(1) atom. In the second I site, I(2) is bonded in a 4-coordinate geometry to one Fe(3), one Fe(6), one Sb(10), and one Sb(6) atom. In the third I site, I(3) is bonded in a distorted single-bond geometry to one Fe(1) atom. In the fourth I site, I(4) is bonded in a 3-coordinate geometry to one Mg(1), one Fe(2), and one Fe(4) atom. In the fifth I site, I(5) is bonded in a 2-coordinate geometry to 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   8.113
_cell_length_b   9.419
_cell_length_c   12.518
_cell_angle_alpha   75.912
_cell_angle_beta   84.787
_cell_angle_gamma   74.713
_symmetry_Int_Tables_number   1
_cell_volume   894.613
_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  0.895  0.583  0.758  1.0
  Fe  Fe1  1  0.721  0.963  0.348  1.0
  Fe  Fe2  1  0.299  0.005  0.644  1.0
  Fe  Fe3  1  0.024  0.959  0.125  1.0
  Fe  Fe4  1  0.979  0.065  0.864  1.0
  Fe  Fe5  1  0.623  0.086  0.062  1.0
  Fe  Fe6  1  0.393  0.933  0.945  1.0
  Sb  Sb7  1  0.885  0.125  0.519  1.0
  Sb  Sb8  1  0.118  0.786  0.506  1.0
  Sb  Sb9  1  0.256  0.138  0.262  1.0
  Sb  Sb10  1  0.729  0.894  0.719  1.0
  Sb  Sb11  1  0.529  0.238  0.758  1.0
  Sb  Sb12  1  0.457  0.791  0.243  1.0
  Sb  Sb13  1  0.208  0.267  0.988  1.0
  Sb  Sb14  1  0.797  0.750  0.010  1.0
  Sb  Sb15  1  0.817  0.287  0.213  1.0
  Sb  Sb16  1  0.203  0.697  0.809  1.0
  I  I17  1  0.710  0.417  0.929  1.0
  I  I18  1  0.265  0.665  0.067  1.0
  I  I19  1  0.882  0.673  0.307  1.0
  I  I20  1  0.086  0.318  0.679  1.0
  I  I21  1  0.509  0.255  0.424  1.0
  I  I22  1  0.499  0.722  0.582  1.0
  O  O23  1  0.153  0.071  0.979  1.0
  O  O24  1  0.860  0.946  0.011  1.0
  O  O25  1  0.868  0.926  0.478  1.0
  O  O26  1  0.138  0.987  0.538  1.0
  O  O27  1  0.789  0.091  0.189  1.0
  O  O28  1  0.181  0.916  0.793  1.0
  O  O29  1  0.446  0.158  0.913  1.0
  O  O30  1  0.549  0.874  0.092  1.0
  O  O31  1  0.764  0.129  0.786  1.0
  O  O32  1  0.216  0.943  0.227  1.0
  O  O33  1  0.491  0.053  0.706  1.0
  O  O34  1  0.496  0.959  0.301  1.0
  O  O35  1  0.055  0.250  0.140  1.0
  O  O36  1  0.962  0.696  0.866  1.0
  O  O37  1  0.070  0.697  0.666  1.0
  O  O38  1  0.947  0.184  0.350  1.0
  O  O39  1  0.634  0.850  0.887  1.0
  O  O40  1  0.379  0.195  0.110  1.0
[/CIF]
.
The structure described by MgFe6Sb10(O3I)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 2-coordinate geometry to one O(14), one O(15), one I(1), and one I(4) 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 distorted T-shaped 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), and one I(2) atom. In the fourth Fe site, Fe(4) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(6), one O(9), and one I(4) atom. In the fifth Fe site, Fe(5) is bonded in a 5-coordinate geometry to one O(18), one O(2), one O(5), one O(7), and one O(8) atom. In the sixth Fe site, Fe(6) is bonded in a 4-coordinate geometry to one O(1), one O(17), 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 5-coordinate geometry to 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 2-coordinate geometry to one O(11), 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), and one O(9) atom. In the sixth Sb site, Sb(6) is bonded in a 3-coordinate geometry to one O(10), one O(12), one O(8), and one I(2) atom. In the seventh Sb site, Sb(7) is bonded in a distorted trigonal pyramidal 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 distorted rectangular see-saw-like 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 distorted T-shaped geometry to one O(13), one O(16), and one O(5) 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 a mixture of corner and edge-sharing OFe3Sb tetrahedra. 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 edge-sharing OFe3Sb tetrahedra. 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 planar 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 a mixture of corner and edge-sharing OFe3Sb tetrahedra. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one Sb(10) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Fe(5), one Fe(6), one Sb(5), and one Sb(7) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Fe(5), one Fe(6), one Sb(6), and one Sb(8) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Fe(4), one Sb(4), and one Sb(5) atom. In the tenth O site, O(10) is bonded in a 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 3-coordinate 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 Mg(1), one Sb(10), and one Sb(8) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Mg(1), one Sb(10), and one Sb(2) 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 planar 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 non-coplanar 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 distorted single-bond geometry to one Mg(1) atom. In the second I site, I(2) is bonded in a 4-coordinate geometry to one Fe(3), one Fe(6), one Sb(10), and one Sb(6) atom. In the third I site, I(3) is bonded in a distorted single-bond geometry to one Fe(1) atom. In the fourth I site, I(4) is bonded in a 3-coordinate geometry to one Mg(1), one Fe(2), and one Fe(4) atom. In the fifth I site, I(5) is bonded in a 2-coordinate geometry to 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   8.113
_cell_length_b   9.419
_cell_length_c   12.518
_cell_angle_alpha   75.912
_cell_angle_beta   84.787
_cell_angle_gamma   74.713
_symmetry_Int_Tables_number   1
_cell_volume   894.613
_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  0.895  0.583  0.758  1.0
  Fe  Fe1  1  0.721  0.963  0.348  1.0
  Fe  Fe2  1  0.299  0.005  0.644  1.0
  Fe  Fe3  1  0.024  0.959  0.125  1.0
  Fe  Fe4  1  0.979  0.065  0.864  1.0
  Fe  Fe5  1  0.623  0.086  0.062  1.0
  Fe  Fe6  1  0.393  0.933  0.945  1.0
  Sb  Sb7  1  0.885  0.125  0.519  1.0
  Sb  Sb8  1  0.118  0.786  0.506  1.0
  Sb  Sb9  1  0.256  0.138  0.262  1.0
  Sb  Sb10  1  0.729  0.894  0.719  1.0
  Sb  Sb11  1  0.529  0.238  0.758  1.0
  Sb  Sb12  1  0.457  0.791  0.243  1.0
  Sb  Sb13  1  0.208  0.267  0.988  1.0
  Sb  Sb14  1  0.797  0.750  0.010  1.0
  Sb  Sb15  1  0.817  0.287  0.213  1.0
  Sb  Sb16  1  0.203  0.697  0.809  1.0
  I  I17  1  0.710  0.417  0.929  1.0
  I  I18  1  0.265  0.665  0.067  1.0
  I  I19  1  0.882  0.673  0.307  1.0
  I  I20  1  0.086  0.318  0.679  1.0
  I  I21  1  0.509  0.255  0.424  1.0
  I  I22  1  0.499  0.722  0.582  1.0
  O  O23  1  0.153  0.071  0.979  1.0
  O  O24  1  0.860  0.946  0.011  1.0
  O  O25  1  0.868  0.926  0.478  1.0
  O  O26  1  0.138  0.987  0.538  1.0
  O  O27  1  0.789  0.091  0.189  1.0
  O  O28  1  0.181  0.916  0.793  1.0
  O  O29  1  0.446  0.158  0.913  1.0
  O  O30  1  0.549  0.874  0.092  1.0
  O  O31  1  0.764  0.129  0.786  1.0
  O  O32  1  0.216  0.943  0.227  1.0
  O  O33  1  0.491  0.053  0.706  1.0
  O  O34  1  0.496  0.959  0.301  1.0
  O  O35  1  0.055  0.250  0.140  1.0
  O  O36  1  0.962  0.696  0.866  1.0
  O  O37  1  0.070  0.697  0.666  1.0
  O  O38  1  0.947  0.184  0.350  1.0
  O  O39  1  0.634  0.850  0.887  1.0
  O  O40  1  0.379  0.195  0.110  1.0
[/CIF]
.