The material structure described by MgFe2(SbO3)4 crystallizes in the tetragonal P-4 space group. Mg(1) is bonded to four equivalent O(3) atoms to form distorted MgO4 tetrahedra that share corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 61°. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with four equivalent Sb(1)O6 octahedra, corners with two equivalent Mg(1)O4 tetrahedra, and  an edgeedge with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SbO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Sb(1), and one Sb(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(1) and two equivalent Sb(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(1), and two equivalent Sb(2) atoms. is represented by the CIF card [CIF]
data_MgFe2(SbO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.962
_cell_length_b   4.962
_cell_length_c   9.894
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   243.598
_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  0.500  0.000  0.750  1.0
  Fe  Fe1  1  0.000  0.000  0.003  1.0
  Fe  Fe2  1  0.500  0.500  0.497  1.0
  Sb  Sb3  1  0.000  0.000  0.319  1.0
  Sb  Sb4  1  0.500  0.500  0.865  1.0
  Sb  Sb5  1  0.500  0.500  0.181  1.0
  Sb  Sb6  1  0.000  0.000  0.635  1.0
  O  O7  1  0.312  0.313  0.021  1.0
  O  O8  1  0.187  0.812  0.479  1.0
  O  O9  1  0.813  0.188  0.479  1.0
  O  O10  1  0.688  0.687  0.021  1.0
  O  O11  1  0.300  0.300  0.326  1.0
  O  O12  1  0.209  0.809  0.837  1.0
  O  O13  1  0.791  0.191  0.837  1.0
  O  O14  1  0.800  0.200  0.174  1.0
  O  O15  1  0.200  0.800  0.174  1.0
  O  O16  1  0.700  0.700  0.326  1.0
  O  O17  1  0.309  0.291  0.663  1.0
  O  O18  1  0.691  0.709  0.663  1.0
[/CIF]
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The material structure described by MgFe2(SbO3)4 crystallizes in the tetragonal P-4 space group. Mg(1) is bonded to four equivalent O(3) atoms to form distorted MgO4 tetrahedra that share corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 61°. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with four equivalent Sb(1)O6 octahedra, corners with two equivalent Mg(1)O4 tetrahedra, and  an edgeedge with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SbO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Sb(1), and one Sb(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(1) and two equivalent Sb(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(1), and two equivalent Sb(2) atoms. is represented by the CIF card [CIF]
data_MgFe2(SbO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.962
_cell_length_b   4.962
_cell_length_c   9.894
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   243.598
_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  0.500  0.000  0.750  1.0
  Fe  Fe1  1  0.000  0.000  0.003  1.0
  Fe  Fe2  1  0.500  0.500  0.497  1.0
  Sb  Sb3  1  0.000  0.000  0.319  1.0
  Sb  Sb4  1  0.500  0.500  0.865  1.0
  Sb  Sb5  1  0.500  0.500  0.181  1.0
  Sb  Sb6  1  0.000  0.000  0.635  1.0
  O  O7  1  0.312  0.313  0.021  1.0
  O  O8  1  0.187  0.812  0.479  1.0
  O  O9  1  0.813  0.188  0.479  1.0
  O  O10  1  0.688  0.687  0.021  1.0
  O  O11  1  0.300  0.300  0.326  1.0
  O  O12  1  0.209  0.809  0.837  1.0
  O  O13  1  0.791  0.191  0.837  1.0
  O  O14  1  0.800  0.200  0.174  1.0
  O  O15  1  0.200  0.800  0.174  1.0
  O  O16  1  0.700  0.700  0.326  1.0
  O  O17  1  0.309  0.291  0.663  1.0
  O  O18  1  0.691  0.709  0.663  1.0
[/CIF]
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