The compound described by CaMgBiSbO6 crystallizes in the tetragonal I-4 space group. Ca(1) is bonded to four equivalent O(1) and four equivalent O(2) atoms to form distorted CaO8 hexagonal bipyramids that share corners with four equivalent Ca(1)O8 hexagonal bipyramids, edges with six equivalent Bi(1)O8 hexagonal bipyramids, edges with four equivalent Mg(1)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. Mg(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra, edges with four equivalent Ca(1)O8 hexagonal bipyramids, and edges with four equivalent Bi(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 0-56°. Bi(1) is bonded to four equivalent O(1) and four equivalent O(2) atoms to form distorted BiO8 hexagonal bipyramids that share corners with four equivalent Bi(1)O8 hexagonal bipyramids, edges with six equivalent Ca(1)O8 hexagonal bipyramids, edges with four equivalent Mg(1)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. Sb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SbO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with four equivalent Ca(1)O8 hexagonal bipyramids, and edges with four equivalent Bi(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 0-56°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ca(1), one Mg(1), two equivalent Bi(1), and one Sb(1) atom to form a mixture of edge and corner-sharing OCa2MgBi2Sb octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ca(1), one Mg(1), one Bi(1), one Sb(1), and one O(2) atom. is represented by the CIF card [CIF]
data_CaMgBiSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.228
_cell_length_b   5.763
_cell_length_c   5.228
_cell_angle_alpha   116.973
_cell_angle_beta   90.000
_cell_angle_gamma   116.973
_symmetry_Int_Tables_number   1
_cell_volume   120.825
_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
  Ca  Ca0  1  0.250  0.500  0.750  1.0
  Mg  Mg1  1  0.000  0.000  0.000  1.0
  Bi  Bi2  1  0.750  0.500  0.250  1.0
  Sb  Sb3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.244  0.487  0.244  1.0
  O  O5  1  0.756  0.513  0.756  1.0
  O  O6  1  0.082  0.969  0.343  1.0
  O  O7  1  0.887  0.969  0.626  1.0
  O  O8  1  0.374  0.031  0.918  1.0
  O  O9  1  0.657  0.031  0.113  1.0
[/CIF]
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The compound described by CaMgBiSbO6 crystallizes in the tetragonal I-4 space group. Ca(1) is bonded to four equivalent O(1) and four equivalent O(2) atoms to form distorted CaO8 hexagonal bipyramids that share corners with four equivalent Ca(1)O8 hexagonal bipyramids, edges with six equivalent Bi(1)O8 hexagonal bipyramids, edges with four equivalent Mg(1)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. Mg(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra, edges with four equivalent Ca(1)O8 hexagonal bipyramids, and edges with four equivalent Bi(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 0-56°. Bi(1) is bonded to four equivalent O(1) and four equivalent O(2) atoms to form distorted BiO8 hexagonal bipyramids that share corners with four equivalent Bi(1)O8 hexagonal bipyramids, edges with six equivalent Ca(1)O8 hexagonal bipyramids, edges with four equivalent Mg(1)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. Sb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SbO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with four equivalent Ca(1)O8 hexagonal bipyramids, and edges with four equivalent Bi(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 0-56°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ca(1), one Mg(1), two equivalent Bi(1), and one Sb(1) atom to form a mixture of edge and corner-sharing OCa2MgBi2Sb octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ca(1), one Mg(1), one Bi(1), one Sb(1), and one O(2) atom. is represented by the CIF card [CIF]
data_CaMgBiSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.228
_cell_length_b   5.763
_cell_length_c   5.228
_cell_angle_alpha   116.973
_cell_angle_beta   90.000
_cell_angle_gamma   116.973
_symmetry_Int_Tables_number   1
_cell_volume   120.825
_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
  Ca  Ca0  1  0.250  0.500  0.750  1.0
  Mg  Mg1  1  0.000  0.000  0.000  1.0
  Bi  Bi2  1  0.750  0.500  0.250  1.0
  Sb  Sb3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.244  0.487  0.244  1.0
  O  O5  1  0.756  0.513  0.756  1.0
  O  O6  1  0.082  0.969  0.343  1.0
  O  O7  1  0.887  0.969  0.626  1.0
  O  O8  1  0.374  0.031  0.918  1.0
  O  O9  1  0.657  0.031  0.113  1.0
[/CIF]
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