The material structure described by Mg6HfSbO8 crystallizes in the tetragonal P4/mmm space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form MgO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, edges with four equivalent Mg(2)O6 octahedra, and edges with eight equivalent Mg(3)O5 square pyramids. The corner-sharing octahedra are not tilted. In the second Mg site, Mg(2) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent Hf(1)O6 octahedra, corners with four equivalent Mg(2)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with eight equivalent Mg(3)O5 square pyramids. The corner-sharing octahedra are not tilted. In the third Mg site, Mg(3) is bonded to one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted MgO5 square pyramids that share corners with two equivalent Hf(1)O6 octahedra, corners with five equivalent Mg(3)O5 square pyramids, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra, and edges with four equivalent Mg(3)O5 square pyramids. The corner-sharing octahedral tilt angles are 81°. Hf(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form HfO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra, corners with four equivalent Hf(1)O6 octahedra, and corners with eight equivalent Mg(3)O5 square pyramids. The corner-sharing octahedra are not tilted. Sb(1) is bonded in a square co-planar geometry to four equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1) and four equivalent Mg(3) atoms to form OMg5 square pyramids that share corners with five equivalent O(1)Mg5 square pyramids, edges with four equivalent O(2)HfMg5 octahedra, and edges with four equivalent O(4)Mg6 octahedra. In the second O site, O(2) is bonded to one Mg(2), four equivalent Mg(3), and one Hf(1) atom to form distorted OHfMg5 octahedra that share corners with six equivalent O(2)HfMg5 octahedra, edges with four equivalent O(4)Mg6 octahedra, and edges with four equivalent O(1)Mg5 square pyramids. The corner-sharing octahedral tilt angles range from 0-18°. In the third O site, O(3) is bonded in a distorted square co-planar geometry to two equivalent Hf(1) and two equivalent Sb(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(3) atoms to form OMg6 octahedra that share corners with four equivalent O(4)Mg6 octahedra, edges with four equivalent O(2)HfMg5 octahedra, edges with four equivalent O(4)Mg6 octahedra, and edges with four equivalent O(1)Mg5 square pyramids. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_HfMg6SbO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.950
_cell_length_b   4.359
_cell_length_c   4.359
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   189.071
_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
  Hf  Hf0  1  0.000  0.500  0.500  1.0
  Mg  Mg1  1  0.500  0.000  0.000  1.0
  Mg  Mg2  1  0.500  0.500  0.500  1.0
  Mg  Mg3  1  0.280  0.000  0.500  1.0
  Mg  Mg4  1  0.720  0.000  0.500  1.0
  Mg  Mg5  1  0.280  0.500  0.000  1.0
  Mg  Mg6  1  0.720  0.500  0.000  1.0
  Sb  Sb7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.302  0.000  0.000  1.0
  O  O9  1  0.698  0.000  0.000  1.0
  O  O10  1  0.244  0.500  0.500  1.0
  O  O11  1  0.756  0.500  0.500  1.0
  O  O12  1  0.000  0.000  0.500  1.0
  O  O13  1  0.500  0.000  0.500  1.0
  O  O14  1  0.000  0.500  0.000  1.0
  O  O15  1  0.500  0.500  0.000  1.0
[/CIF]
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The material structure described by Mg6HfSbO8 crystallizes in the tetragonal P4/mmm space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form MgO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, edges with four equivalent Mg(2)O6 octahedra, and edges with eight equivalent Mg(3)O5 square pyramids. The corner-sharing octahedra are not tilted. In the second Mg site, Mg(2) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent Hf(1)O6 octahedra, corners with four equivalent Mg(2)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with eight equivalent Mg(3)O5 square pyramids. The corner-sharing octahedra are not tilted. In the third Mg site, Mg(3) is bonded to one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted MgO5 square pyramids that share corners with two equivalent Hf(1)O6 octahedra, corners with five equivalent Mg(3)O5 square pyramids, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra, and edges with four equivalent Mg(3)O5 square pyramids. The corner-sharing octahedral tilt angles are 81°. Hf(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form HfO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra, corners with four equivalent Hf(1)O6 octahedra, and corners with eight equivalent Mg(3)O5 square pyramids. The corner-sharing octahedra are not tilted. Sb(1) is bonded in a square co-planar geometry to four equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1) and four equivalent Mg(3) atoms to form OMg5 square pyramids that share corners with five equivalent O(1)Mg5 square pyramids, edges with four equivalent O(2)HfMg5 octahedra, and edges with four equivalent O(4)Mg6 octahedra. In the second O site, O(2) is bonded to one Mg(2), four equivalent Mg(3), and one Hf(1) atom to form distorted OHfMg5 octahedra that share corners with six equivalent O(2)HfMg5 octahedra, edges with four equivalent O(4)Mg6 octahedra, and edges with four equivalent O(1)Mg5 square pyramids. The corner-sharing octahedral tilt angles range from 0-18°. In the third O site, O(3) is bonded in a distorted square co-planar geometry to two equivalent Hf(1) and two equivalent Sb(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(3) atoms to form OMg6 octahedra that share corners with four equivalent O(4)Mg6 octahedra, edges with four equivalent O(2)HfMg5 octahedra, edges with four equivalent O(4)Mg6 octahedra, and edges with four equivalent O(1)Mg5 square pyramids. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_HfMg6SbO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.950
_cell_length_b   4.359
_cell_length_c   4.359
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   189.071
_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
  Hf  Hf0  1  0.000  0.500  0.500  1.0
  Mg  Mg1  1  0.500  0.000  0.000  1.0
  Mg  Mg2  1  0.500  0.500  0.500  1.0
  Mg  Mg3  1  0.280  0.000  0.500  1.0
  Mg  Mg4  1  0.720  0.000  0.500  1.0
  Mg  Mg5  1  0.280  0.500  0.000  1.0
  Mg  Mg6  1  0.720  0.500  0.000  1.0
  Sb  Sb7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.302  0.000  0.000  1.0
  O  O9  1  0.698  0.000  0.000  1.0
  O  O10  1  0.244  0.500  0.500  1.0
  O  O11  1  0.756  0.500  0.500  1.0
  O  O12  1  0.000  0.000  0.500  1.0
  O  O13  1  0.500  0.000  0.500  1.0
  O  O14  1  0.000  0.500  0.000  1.0
  O  O15  1  0.500  0.500  0.000  1.0
[/CIF]
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