The material described by MgFe2(SbO3)4 crystallizes in the monoclinic P2 space group. Mg(1) is bonded to two equivalent O(2) and two equivalent O(6) atoms to form distorted MgO4 tetrahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-65°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with four equivalent Sb(2)O6 octahedra, corners with four equivalent Sb(3)O6 octahedra, and  an edgeedge with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the second Fe site, Fe(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form distorted FeO6 octahedra that share corners with four equivalent Sb(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra,  an edgeedge with one Sb(3)O6 octahedra, and edges with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-49°. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form SbO6 octahedra that share corners with four equivalent Fe(2)O6 octahedra, corners with four equivalent Sb(3)O6 octahedra, corners with two equivalent Mg(1)O4 tetrahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-49°. In the second Sb site, Sb(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form SbO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, corners with two equivalent Mg(1)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Sb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. In the third Sb site, Sb(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form SbO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the fourth Sb site, Sb(4) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(1), one Sb(2), and one Sb(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(2), one Sb(1), and one Sb(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Fe(2), one Sb(1), and one Sb(3) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Fe(1), one Sb(2), and one Sb(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(1), one Sb(1), and one Sb(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(2), one Sb(2), and one Sb(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe2(SbO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.916
_cell_length_b   4.956
_cell_length_c   9.762
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   88.149
_symmetry_Int_Tables_number   1
_cell_volume   237.696
_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  0.000  0.500  0.548  1.0
  Fe  Fe1  1  0.000  0.000  0.011  1.0
  Fe  Fe2  1  0.500  0.500  0.486  1.0
  Sb  Sb3  1  0.000  0.000  0.322  1.0
  Sb  Sb4  1  0.500  0.500  0.843  1.0
  Sb  Sb5  1  0.500  0.500  0.168  1.0
  Sb  Sb6  1  0.000  0.000  0.701  1.0
  O  O7  1  0.308  0.325  0.006  1.0
  O  O8  1  0.196  0.800  0.472  1.0
  O  O9  1  0.804  0.200  0.472  1.0
  O  O10  1  0.692  0.675  0.006  1.0
  O  O11  1  0.290  0.307  0.320  1.0
  O  O12  1  0.226  0.813  0.850  1.0
  O  O13  1  0.774  0.187  0.850  1.0
  O  O14  1  0.793  0.192  0.171  1.0
  O  O15  1  0.207  0.808  0.171  1.0
  O  O16  1  0.710  0.693  0.320  1.0
  O  O17  1  0.287  0.351  0.679  1.0
  O  O18  1  0.713  0.649  0.679  1.0
[/CIF]
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The material described by MgFe2(SbO3)4 crystallizes in the monoclinic P2 space group. Mg(1) is bonded to two equivalent O(2) and two equivalent O(6) atoms to form distorted MgO4 tetrahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-65°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with four equivalent Sb(2)O6 octahedra, corners with four equivalent Sb(3)O6 octahedra, and  an edgeedge with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the second Fe site, Fe(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form distorted FeO6 octahedra that share corners with four equivalent Sb(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra,  an edgeedge with one Sb(3)O6 octahedra, and edges with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-49°. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form SbO6 octahedra that share corners with four equivalent Fe(2)O6 octahedra, corners with four equivalent Sb(3)O6 octahedra, corners with two equivalent Mg(1)O4 tetrahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-49°. In the second Sb site, Sb(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form SbO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, corners with two equivalent Mg(1)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Sb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. In the third Sb site, Sb(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form SbO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the fourth Sb site, Sb(4) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(1), one Sb(2), and one Sb(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(2), one Sb(1), and one Sb(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Fe(2), one Sb(1), and one Sb(3) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Fe(1), one Sb(2), and one Sb(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(1), one Sb(1), and one Sb(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(2), one Sb(2), and one Sb(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe2(SbO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.916
_cell_length_b   4.956
_cell_length_c   9.762
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   88.149
_symmetry_Int_Tables_number   1
_cell_volume   237.696
_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  0.000  0.500  0.548  1.0
  Fe  Fe1  1  0.000  0.000  0.011  1.0
  Fe  Fe2  1  0.500  0.500  0.486  1.0
  Sb  Sb3  1  0.000  0.000  0.322  1.0
  Sb  Sb4  1  0.500  0.500  0.843  1.0
  Sb  Sb5  1  0.500  0.500  0.168  1.0
  Sb  Sb6  1  0.000  0.000  0.701  1.0
  O  O7  1  0.308  0.325  0.006  1.0
  O  O8  1  0.196  0.800  0.472  1.0
  O  O9  1  0.804  0.200  0.472  1.0
  O  O10  1  0.692  0.675  0.006  1.0
  O  O11  1  0.290  0.307  0.320  1.0
  O  O12  1  0.226  0.813  0.850  1.0
  O  O13  1  0.774  0.187  0.850  1.0
  O  O14  1  0.793  0.192  0.171  1.0
  O  O15  1  0.207  0.808  0.171  1.0
  O  O16  1  0.710  0.693  0.320  1.0
  O  O17  1  0.287  0.351  0.679  1.0
  O  O18  1  0.713  0.649  0.679  1.0
[/CIF]
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