The material structure described by MgSbO3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form distorted MgO4 tetrahedra that share corners with four equivalent Sb(1)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, and corners with two equivalent Mg(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 64-81°. In the second Mg site, Mg(2) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form distorted MgO4 trigonal pyramids that share corners with four equivalent Sb(1)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, and corners with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-83°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form SbO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, corners with four equivalent Mg(1)O4 tetrahedra, and corners with four equivalent Mg(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 46-54°. In the second Sb site, Sb(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, corners with four equivalent Mg(1)O4 tetrahedra, and corners with four equivalent Mg(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 46-50°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(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 Mg(2), one Sb(1), and one Sb(2) atom. In the third O site, O(3) is bonded to one Mg(1), one Mg(2), and two equivalent Sb(2) atoms to form distorted corner-sharing OMg2Sb2 tetrahedra. In the fourth O site, O(4) is bonded to one Mg(1), one Mg(2), and two equivalent Sb(1) atoms to form distorted corner-sharing OMg2Sb2 tetrahedra. is represented by the CIF file [CIF]
data_MgSbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.950
_cell_length_b   5.550
_cell_length_c   5.565
_cell_angle_alpha   88.190
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   245.431
_cell_formula_units_Z   4
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  0.250  0.509  0.467  1.0
  Mg  Mg1  1  0.750  0.491  0.533  1.0
  Mg  Mg2  1  0.250  0.979  0.974  1.0
  Mg  Mg3  1  0.750  0.021  0.026  1.0
  Sb  Sb4  1  0.500  0.500  0.000  1.0
  Sb  Sb5  1  0.000  0.500  0.000  1.0
  Sb  Sb6  1  0.500  0.000  0.500  1.0
  Sb  Sb7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.570  0.690  0.351  1.0
  O  O9  1  0.931  0.861  0.818  1.0
  O  O10  1  0.070  0.310  0.649  1.0
  O  O11  1  0.431  0.139  0.182  1.0
  O  O12  1  0.569  0.861  0.818  1.0
  O  O13  1  0.069  0.139  0.182  1.0
  O  O14  1  0.750  0.138  0.403  1.0
  O  O15  1  0.930  0.690  0.351  1.0
  O  O16  1  0.250  0.638  0.116  1.0
  O  O17  1  0.430  0.310  0.649  1.0
  O  O18  1  0.250  0.862  0.597  1.0
  O  O19  1  0.750  0.362  0.884  1.0
[/CIF]
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The material structure described by MgSbO3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form distorted MgO4 tetrahedra that share corners with four equivalent Sb(1)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, and corners with two equivalent Mg(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 64-81°. In the second Mg site, Mg(2) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form distorted MgO4 trigonal pyramids that share corners with four equivalent Sb(1)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, and corners with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-83°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form SbO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, corners with four equivalent Mg(1)O4 tetrahedra, and corners with four equivalent Mg(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 46-54°. In the second Sb site, Sb(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, corners with four equivalent Mg(1)O4 tetrahedra, and corners with four equivalent Mg(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 46-50°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(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 Mg(2), one Sb(1), and one Sb(2) atom. In the third O site, O(3) is bonded to one Mg(1), one Mg(2), and two equivalent Sb(2) atoms to form distorted corner-sharing OMg2Sb2 tetrahedra. In the fourth O site, O(4) is bonded to one Mg(1), one Mg(2), and two equivalent Sb(1) atoms to form distorted corner-sharing OMg2Sb2 tetrahedra. is represented by the CIF file [CIF]
data_MgSbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.950
_cell_length_b   5.550
_cell_length_c   5.565
_cell_angle_alpha   88.190
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   245.431
_cell_formula_units_Z   4
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  0.250  0.509  0.467  1.0
  Mg  Mg1  1  0.750  0.491  0.533  1.0
  Mg  Mg2  1  0.250  0.979  0.974  1.0
  Mg  Mg3  1  0.750  0.021  0.026  1.0
  Sb  Sb4  1  0.500  0.500  0.000  1.0
  Sb  Sb5  1  0.000  0.500  0.000  1.0
  Sb  Sb6  1  0.500  0.000  0.500  1.0
  Sb  Sb7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.570  0.690  0.351  1.0
  O  O9  1  0.931  0.861  0.818  1.0
  O  O10  1  0.070  0.310  0.649  1.0
  O  O11  1  0.431  0.139  0.182  1.0
  O  O12  1  0.569  0.861  0.818  1.0
  O  O13  1  0.069  0.139  0.182  1.0
  O  O14  1  0.750  0.138  0.403  1.0
  O  O15  1  0.930  0.690  0.351  1.0
  O  O16  1  0.250  0.638  0.116  1.0
  O  O17  1  0.430  0.310  0.649  1.0
  O  O18  1  0.250  0.862  0.597  1.0
  O  O19  1  0.750  0.362  0.884  1.0
[/CIF]
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