The material described by Mg2MoSbO6 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(1) atoms. In the second Mg site, Mg(2) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(2) atoms. Mo(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. Sb(1) 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(1)O6 octahedra and corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-48°. 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 Mo(1), and one Sb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(2), one Mo(1), and one Sb(1) atom. In the third O site, O(3) is bonded to one Mg(1), one Mg(2), and two equivalent Sb(1) atoms to form distorted OMg2Sb2 trigonal pyramids that share corners with two equivalent O(4)Mg2Mo2 trigonal pyramids and corners with two equivalent O(3)Mg2Sb2 trigonal pyramids. In the fourth O site, O(4) is bonded to one Mg(1), one Mg(2), and two equivalent Mo(1) atoms to form distorted OMg2Mo2 trigonal pyramids that share corners with two equivalent O(4)Mg2Mo2 trigonal pyramids and corners with two equivalent O(3)Mg2Sb2 trigonal pyramids. is represented by the CIF card [CIF]
data_Mg2SbMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.816
_cell_length_b   5.343
_cell_length_c   5.465
_cell_angle_alpha   89.410
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   228.190
_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  0.250  0.493  0.445  1.0
  Mg  Mg1  1  0.750  0.507  0.555  1.0
  Mg  Mg2  1  0.250  0.987  0.969  1.0
  Mg  Mg3  1  0.750  0.013  0.031  1.0
  Sb  Sb4  1  0.500  0.000  0.500  1.0
  Sb  Sb5  1  0.000  0.000  0.500  1.0
  Mo  Mo6  1  0.500  0.500  0.000  1.0
  Mo  Mo7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.571  0.686  0.336  1.0
  O  O9  1  0.929  0.843  0.814  1.0
  O  O10  1  0.071  0.314  0.664  1.0
  O  O11  1  0.429  0.157  0.186  1.0
  O  O12  1  0.571  0.843  0.814  1.0
  O  O13  1  0.071  0.157  0.186  1.0
  O  O14  1  0.750  0.138  0.417  1.0
  O  O15  1  0.929  0.686  0.336  1.0
  O  O16  1  0.250  0.633  0.094  1.0
  O  O17  1  0.429  0.314  0.664  1.0
  O  O18  1  0.250  0.862  0.583  1.0
  O  O19  1  0.750  0.367  0.906  1.0
[/CIF]
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The material described by Mg2MoSbO6 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(1) atoms. In the second Mg site, Mg(2) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(2) atoms. Mo(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. Sb(1) 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(1)O6 octahedra and corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-48°. 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 Mo(1), and one Sb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(2), one Mo(1), and one Sb(1) atom. In the third O site, O(3) is bonded to one Mg(1), one Mg(2), and two equivalent Sb(1) atoms to form distorted OMg2Sb2 trigonal pyramids that share corners with two equivalent O(4)Mg2Mo2 trigonal pyramids and corners with two equivalent O(3)Mg2Sb2 trigonal pyramids. In the fourth O site, O(4) is bonded to one Mg(1), one Mg(2), and two equivalent Mo(1) atoms to form distorted OMg2Mo2 trigonal pyramids that share corners with two equivalent O(4)Mg2Mo2 trigonal pyramids and corners with two equivalent O(3)Mg2Sb2 trigonal pyramids. is represented by the CIF card [CIF]
data_Mg2SbMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.816
_cell_length_b   5.343
_cell_length_c   5.465
_cell_angle_alpha   89.410
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   228.190
_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  0.250  0.493  0.445  1.0
  Mg  Mg1  1  0.750  0.507  0.555  1.0
  Mg  Mg2  1  0.250  0.987  0.969  1.0
  Mg  Mg3  1  0.750  0.013  0.031  1.0
  Sb  Sb4  1  0.500  0.000  0.500  1.0
  Sb  Sb5  1  0.000  0.000  0.500  1.0
  Mo  Mo6  1  0.500  0.500  0.000  1.0
  Mo  Mo7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.571  0.686  0.336  1.0
  O  O9  1  0.929  0.843  0.814  1.0
  O  O10  1  0.071  0.314  0.664  1.0
  O  O11  1  0.429  0.157  0.186  1.0
  O  O12  1  0.571  0.843  0.814  1.0
  O  O13  1  0.071  0.157  0.186  1.0
  O  O14  1  0.750  0.138  0.417  1.0
  O  O15  1  0.929  0.686  0.336  1.0
  O  O16  1  0.250  0.633  0.094  1.0
  O  O17  1  0.429  0.314  0.664  1.0
  O  O18  1  0.250  0.862  0.583  1.0
  O  O19  1  0.750  0.367  0.906  1.0
[/CIF]
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