The material structure described by MgZn2(MoO4)2 crystallizes in the monoclinic P2 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Zn(2)O4 tetrahedra, edges with two equivalent Mo(1)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra, and  an edgeedge with one Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 24°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted MoO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles are 24°. In the second Mo site, Mo(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted MoO6 octahedra that share corners with two equivalent Zn(1)O4 tetrahedra, corners with four equivalent Zn(2)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Mo(1)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent Zn(2)O4 tetrahedra, and  an edgeedge with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-61°. In the second Zn site, Zn(2) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form distorted ZnO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, corners with four equivalent Mo(2)O6 octahedra, and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-77°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Mg(1), one Mo(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Mo(2), one Zn(1), and one Zn(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Mo(1), and one Mo(2) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Mo(1), one Mo(2), and one Zn(2) atom to form distorted corner-sharing OMgZnMo2 trigonal pyramids. is represented by the CIF file [CIF]
data_MgZn2(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.951
_cell_length_b   4.894
_cell_length_c   7.059
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   102.173
_symmetry_Int_Tables_number   1
_cell_volume   167.188
_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  0.500  0.750  0.927  1.0
  Zn  Zn1  1  0.500  0.750  0.521  1.0
  Zn  Zn2  1  0.500  0.250  0.237  1.0
  Mo  Mo3  1  0.000  0.250  0.873  1.0
  Mo  Mo4  1  0.000  0.750  0.195  1.0
  O  O5  1  0.748  0.016  0.723  1.0
  O  O6  1  0.252  0.484  0.723  1.0
  O  O7  1  0.265  0.953  0.389  1.0
  O  O8  1  0.735  0.547  0.389  1.0
  O  O9  1  0.219  0.998  0.956  1.0
  O  O10  1  0.781  0.502  0.956  1.0
  O  O11  1  0.760  0.015  0.109  1.0
  O  O12  1  0.240  0.485  0.109  1.0
[/CIF]
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The material structure described by MgZn2(MoO4)2 crystallizes in the monoclinic P2 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Zn(2)O4 tetrahedra, edges with two equivalent Mo(1)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra, and  an edgeedge with one Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 24°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted MoO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles are 24°. In the second Mo site, Mo(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted MoO6 octahedra that share corners with two equivalent Zn(1)O4 tetrahedra, corners with four equivalent Zn(2)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Mo(1)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent Zn(2)O4 tetrahedra, and  an edgeedge with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-61°. In the second Zn site, Zn(2) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form distorted ZnO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, corners with four equivalent Mo(2)O6 octahedra, and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-77°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Mg(1), one Mo(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Mo(2), one Zn(1), and one Zn(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Mo(1), and one Mo(2) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Mo(1), one Mo(2), and one Zn(2) atom to form distorted corner-sharing OMgZnMo2 trigonal pyramids. is represented by the CIF file [CIF]
data_MgZn2(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.951
_cell_length_b   4.894
_cell_length_c   7.059
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   102.173
_symmetry_Int_Tables_number   1
_cell_volume   167.188
_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  0.500  0.750  0.927  1.0
  Zn  Zn1  1  0.500  0.750  0.521  1.0
  Zn  Zn2  1  0.500  0.250  0.237  1.0
  Mo  Mo3  1  0.000  0.250  0.873  1.0
  Mo  Mo4  1  0.000  0.750  0.195  1.0
  O  O5  1  0.748  0.016  0.723  1.0
  O  O6  1  0.252  0.484  0.723  1.0
  O  O7  1  0.265  0.953  0.389  1.0
  O  O8  1  0.735  0.547  0.389  1.0
  O  O9  1  0.219  0.998  0.956  1.0
  O  O10  1  0.781  0.502  0.956  1.0
  O  O11  1  0.760  0.015  0.109  1.0
  O  O12  1  0.240  0.485  0.109  1.0
[/CIF]
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