The compound described by MgSb2O4 crystallizes in the orthorhombic Cmcm space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. Sb(1) is bonded to one O(2), two equivalent O(3), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles range from 0-70°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1) and three equivalent Sb(1) atoms to form OMg2Sb3 trigonal bipyramids that share corners with five equivalent O(2)Mg2Sb2 tetrahedra, corners with two equivalent O(1)Mg2Sb3 trigonal bipyramids,  an edgeedge with one O(2)Mg2Sb2 tetrahedra, and edges with five equivalent O(1)Mg2Sb3 trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Mg(1) and two equivalent Sb(1) atoms to form OMg2Sb2 tetrahedra that share corners with two equivalent O(2)Mg2Sb2 tetrahedra, corners with ten equivalent O(1)Mg2Sb3 trigonal bipyramids, and edges with two equivalent O(1)Mg2Sb3 trigonal bipyramids. In the third O site, O(3) is bonded in a square co-planar geometry to four equivalent Sb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(SbO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.748
_cell_length_b   5.748
_cell_length_c   10.953
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   147.804
_symmetry_Int_Tables_number   1
_cell_volume   192.795
_cell_formula_units_Z   2
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  0.615  0.385  0.750  1.0
  Mg  Mg1  1  0.385  0.615  0.250  1.0
  Sb  Sb2  1  0.132  0.868  0.080  1.0
  Sb  Sb3  1  0.868  0.132  0.920  1.0
  Sb  Sb4  1  0.132  0.868  0.420  1.0
  Sb  Sb5  1  0.868  0.132  0.580  1.0
  O  O6  1  0.783  0.217  0.376  1.0
  O  O7  1  0.217  0.783  0.624  1.0
  O  O8  1  0.217  0.783  0.876  1.0
  O  O9  1  0.783  0.217  0.124  1.0
  O  O10  1  0.014  0.986  0.250  1.0
  O  O11  1  0.986  0.014  0.750  1.0
  O  O12  1  0.500  0.500  0.000  1.0
  O  O13  1  0.500  0.500  0.500  1.0
[/CIF]
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The compound described by MgSb2O4 crystallizes in the orthorhombic Cmcm space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. Sb(1) is bonded to one O(2), two equivalent O(3), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles range from 0-70°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1) and three equivalent Sb(1) atoms to form OMg2Sb3 trigonal bipyramids that share corners with five equivalent O(2)Mg2Sb2 tetrahedra, corners with two equivalent O(1)Mg2Sb3 trigonal bipyramids,  an edgeedge with one O(2)Mg2Sb2 tetrahedra, and edges with five equivalent O(1)Mg2Sb3 trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Mg(1) and two equivalent Sb(1) atoms to form OMg2Sb2 tetrahedra that share corners with two equivalent O(2)Mg2Sb2 tetrahedra, corners with ten equivalent O(1)Mg2Sb3 trigonal bipyramids, and edges with two equivalent O(1)Mg2Sb3 trigonal bipyramids. In the third O site, O(3) is bonded in a square co-planar geometry to four equivalent Sb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(SbO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.748
_cell_length_b   5.748
_cell_length_c   10.953
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   147.804
_symmetry_Int_Tables_number   1
_cell_volume   192.795
_cell_formula_units_Z   2
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  0.615  0.385  0.750  1.0
  Mg  Mg1  1  0.385  0.615  0.250  1.0
  Sb  Sb2  1  0.132  0.868  0.080  1.0
  Sb  Sb3  1  0.868  0.132  0.920  1.0
  Sb  Sb4  1  0.132  0.868  0.420  1.0
  Sb  Sb5  1  0.868  0.132  0.580  1.0
  O  O6  1  0.783  0.217  0.376  1.0
  O  O7  1  0.217  0.783  0.624  1.0
  O  O8  1  0.217  0.783  0.876  1.0
  O  O9  1  0.783  0.217  0.124  1.0
  O  O10  1  0.014  0.986  0.250  1.0
  O  O11  1  0.986  0.014  0.750  1.0
  O  O12  1  0.500  0.500  0.000  1.0
  O  O13  1  0.500  0.500  0.500  1.0
[/CIF]
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