The compound described by MgSb2O4 is Spinel-like structured and crystallizes in the trigonal R3m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(3) and three equivalent O(4) atoms to form MgO4 tetrahedra that share corners with three equivalent Mg(2)O6 octahedra and corners with nine equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-59°. In the second Mg site, Mg(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form MgO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Sb(1)O4 trigonal pyramids, and edges with six equivalent Sb(2)O6 octahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(2) and three equivalent O(1) atoms to form SbO4 trigonal pyramids that share corners with three equivalent Mg(2)O6 octahedra and corners with nine equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-71°. In the second Sb site, Sb(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form SbO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Sb(1)O4 trigonal pyramids, edges with two equivalent Mg(2)O6 octahedra, and edges with four equivalent Sb(2)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(2), one Sb(1), and two equivalent Sb(2) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sb(1) and three equivalent Sb(2) atoms. In the third O site, O(3) is bonded in a distorted trigonal pyramidal geometry to one Mg(1) and three equivalent Sb(2) atoms. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mg(2), and two equivalent Sb(2) 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   6.546
_cell_length_b   6.546
_cell_length_c   6.546
_cell_angle_alpha   61.757
_cell_angle_beta   61.757
_cell_angle_gamma   61.757
_symmetry_Int_Tables_number   1
_cell_volume   206.137
_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  0.995  0.995  0.995  1.0
  Mg  Mg1  1  0.372  0.372  0.372  1.0
  Sb  Sb2  1  0.775  0.775  0.775  1.0
  Sb  Sb3  1  0.873  0.381  0.381  1.0
  Sb  Sb4  1  0.381  0.381  0.873  1.0
  Sb  Sb5  1  0.381  0.873  0.381  1.0
  O  O6  1  0.592  0.149  0.592  1.0
  O  O7  1  0.592  0.592  0.149  1.0
  O  O8  1  0.149  0.592  0.592  1.0
  O  O9  1  0.650  0.650  0.650  1.0
  O  O10  1  0.134  0.134  0.134  1.0
  O  O11  1  0.598  0.130  0.130  1.0
  O  O12  1  0.130  0.130  0.598  1.0
  O  O13  1  0.130  0.598  0.130  1.0
[/CIF]
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The compound described by MgSb2O4 is Spinel-like structured and crystallizes in the trigonal R3m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(3) and three equivalent O(4) atoms to form MgO4 tetrahedra that share corners with three equivalent Mg(2)O6 octahedra and corners with nine equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-59°. In the second Mg site, Mg(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form MgO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Sb(1)O4 trigonal pyramids, and edges with six equivalent Sb(2)O6 octahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(2) and three equivalent O(1) atoms to form SbO4 trigonal pyramids that share corners with three equivalent Mg(2)O6 octahedra and corners with nine equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-71°. In the second Sb site, Sb(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form SbO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Sb(1)O4 trigonal pyramids, edges with two equivalent Mg(2)O6 octahedra, and edges with four equivalent Sb(2)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(2), one Sb(1), and two equivalent Sb(2) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sb(1) and three equivalent Sb(2) atoms. In the third O site, O(3) is bonded in a distorted trigonal pyramidal geometry to one Mg(1) and three equivalent Sb(2) atoms. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mg(2), and two equivalent Sb(2) 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   6.546
_cell_length_b   6.546
_cell_length_c   6.546
_cell_angle_alpha   61.757
_cell_angle_beta   61.757
_cell_angle_gamma   61.757
_symmetry_Int_Tables_number   1
_cell_volume   206.137
_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  0.995  0.995  0.995  1.0
  Mg  Mg1  1  0.372  0.372  0.372  1.0
  Sb  Sb2  1  0.775  0.775  0.775  1.0
  Sb  Sb3  1  0.873  0.381  0.381  1.0
  Sb  Sb4  1  0.381  0.381  0.873  1.0
  Sb  Sb5  1  0.381  0.873  0.381  1.0
  O  O6  1  0.592  0.149  0.592  1.0
  O  O7  1  0.592  0.592  0.149  1.0
  O  O8  1  0.149  0.592  0.592  1.0
  O  O9  1  0.650  0.650  0.650  1.0
  O  O10  1  0.134  0.134  0.134  1.0
  O  O11  1  0.598  0.130  0.130  1.0
  O  O12  1  0.130  0.130  0.598  1.0
  O  O13  1  0.130  0.598  0.130  1.0
[/CIF]
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