The compound described by Mg2Sb3O8 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), and four equivalent O(3) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form edge-sharing SbO6 octahedra. 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 edge-sharing SbO6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent Sb(2) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Sb(1), and two equivalent Sb(2) atoms. In the third O site, O(3) is bonded to two equivalent Mg(1), one Sb(1), and one Sb(2) atom to form a mixture of distorted edge and corner-sharing OMg2Sb2 tetrahedra. is represented by the CIF card [CIF]
data_Mg2Sb3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.419
_cell_length_b   6.419
_cell_length_c   5.516
_cell_angle_alpha   69.682
_cell_angle_beta   69.682
_cell_angle_gamma   59.863
_symmetry_Int_Tables_number   1
_cell_volume   180.090
_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  0.715  0.715  0.360  1.0
  Mg  Mg1  1  0.285  0.285  0.640  1.0
  Sb  Sb2  1  0.000  0.000  0.500  1.0
  Sb  Sb3  1  0.735  0.265  0.000  1.0
  Sb  Sb4  1  0.265  0.735  0.000  1.0
  O  O5  1  0.396  0.396  0.913  1.0
  O  O6  1  0.604  0.604  0.087  1.0
  O  O7  1  0.887  0.887  0.967  1.0
  O  O8  1  0.113  0.113  0.033  1.0
  O  O9  1  0.366  0.879  0.606  1.0
  O  O10  1  0.879  0.366  0.606  1.0
  O  O11  1  0.121  0.634  0.394  1.0
  O  O12  1  0.634  0.121  0.394  1.0
[/CIF]
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The compound described by Mg2Sb3O8 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), and four equivalent O(3) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form edge-sharing SbO6 octahedra. 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 edge-sharing SbO6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent Sb(2) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Sb(1), and two equivalent Sb(2) atoms. In the third O site, O(3) is bonded to two equivalent Mg(1), one Sb(1), and one Sb(2) atom to form a mixture of distorted edge and corner-sharing OMg2Sb2 tetrahedra. is represented by the CIF card [CIF]
data_Mg2Sb3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.419
_cell_length_b   6.419
_cell_length_c   5.516
_cell_angle_alpha   69.682
_cell_angle_beta   69.682
_cell_angle_gamma   59.863
_symmetry_Int_Tables_number   1
_cell_volume   180.090
_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  0.715  0.715  0.360  1.0
  Mg  Mg1  1  0.285  0.285  0.640  1.0
  Sb  Sb2  1  0.000  0.000  0.500  1.0
  Sb  Sb3  1  0.735  0.265  0.000  1.0
  Sb  Sb4  1  0.265  0.735  0.000  1.0
  O  O5  1  0.396  0.396  0.913  1.0
  O  O6  1  0.604  0.604  0.087  1.0
  O  O7  1  0.887  0.887  0.967  1.0
  O  O8  1  0.113  0.113  0.033  1.0
  O  O9  1  0.366  0.879  0.606  1.0
  O  O10  1  0.879  0.366  0.606  1.0
  O  O11  1  0.121  0.634  0.394  1.0
  O  O12  1  0.634  0.121  0.394  1.0
[/CIF]
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