The material described by MgZn2Te2(MoO6)2 crystallizes in the monoclinic P2 space group. Mg(1) is bonded to two equivalent O(4) and two equivalent O(5) atoms to form MgO4 tetrahedra that share corners with two equivalent Mo(1)O4 tetrahedra and corners with two equivalent Mo(2)O4 tetrahedra. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(2) and two equivalent O(5) atoms to form distorted MoO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra and corners with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. In the second Mo site, Mo(2) is bonded to two equivalent O(4) and two equivalent O(6) atoms to form distorted MoO4 tetrahedra that share corners with two equivalent Zn(2)O6 octahedra and corners with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 62°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted ZnO6 octahedra that share corners with four equivalent Zn(2)O6 octahedra and corners with two equivalent Mo(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-60°. In the second Zn site, Zn(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form distorted ZnO6 octahedra that share corners with four equivalent Zn(1)O6 octahedra and corners with two equivalent Mo(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-60°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted see-saw-like geometry to two equivalent O(1) and two equivalent O(6) atoms. In the second Te site, Te(2) is bonded in a distorted see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Zn(1), one Zn(2), and one Te(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mo(1), one Zn(1), and one Te(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Zn(1), one Zn(2), and one Te(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one Mo(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Mg(1) and one Mo(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mo(2), one Zn(2), and one Te(1) atom. is represented by the CIF file [CIF]
data_MgZn2Te2(MoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.095
_cell_length_b   5.343
_cell_length_c   10.266
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   88.279
_symmetry_Int_Tables_number   1
_cell_volume   279.336
_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  0.500  0.001  1.0
  Zn  Zn1  1  0.500  0.500  0.514  1.0
  Zn  Zn2  1  0.000  0.000  0.472  1.0
  Te  Te3  1  0.000  0.500  0.277  1.0
  Te  Te4  1  0.500  0.000  0.707  1.0
  Mo  Mo5  1  0.000  0.500  0.774  1.0
  Mo  Mo6  1  0.500  0.000  0.231  1.0
  O  O7  1  0.232  0.320  0.398  1.0
  O  O8  1  0.768  0.680  0.398  1.0
  O  O9  1  0.751  0.692  0.674  1.0
  O  O10  1  0.282  0.821  0.588  1.0
  O  O11  1  0.632  0.753  0.121  1.0
  O  O12  1  0.772  0.346  0.885  1.0
  O  O13  1  0.249  0.308  0.674  1.0
  O  O14  1  0.718  0.179  0.588  1.0
  O  O15  1  0.222  0.819  0.309  1.0
  O  O16  1  0.778  0.181  0.309  1.0
  O  O17  1  0.228  0.654  0.885  1.0
  O  O18  1  0.368  0.247  0.121  1.0
[/CIF]
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The material described by MgZn2Te2(MoO6)2 crystallizes in the monoclinic P2 space group. Mg(1) is bonded to two equivalent O(4) and two equivalent O(5) atoms to form MgO4 tetrahedra that share corners with two equivalent Mo(1)O4 tetrahedra and corners with two equivalent Mo(2)O4 tetrahedra. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(2) and two equivalent O(5) atoms to form distorted MoO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra and corners with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. In the second Mo site, Mo(2) is bonded to two equivalent O(4) and two equivalent O(6) atoms to form distorted MoO4 tetrahedra that share corners with two equivalent Zn(2)O6 octahedra and corners with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 62°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted ZnO6 octahedra that share corners with four equivalent Zn(2)O6 octahedra and corners with two equivalent Mo(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-60°. In the second Zn site, Zn(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form distorted ZnO6 octahedra that share corners with four equivalent Zn(1)O6 octahedra and corners with two equivalent Mo(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-60°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted see-saw-like geometry to two equivalent O(1) and two equivalent O(6) atoms. In the second Te site, Te(2) is bonded in a distorted see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Zn(1), one Zn(2), and one Te(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mo(1), one Zn(1), and one Te(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Zn(1), one Zn(2), and one Te(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one Mo(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Mg(1) and one Mo(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mo(2), one Zn(2), and one Te(1) atom. is represented by the CIF file [CIF]
data_MgZn2Te2(MoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.095
_cell_length_b   5.343
_cell_length_c   10.266
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   88.279
_symmetry_Int_Tables_number   1
_cell_volume   279.336
_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  0.500  0.001  1.0
  Zn  Zn1  1  0.500  0.500  0.514  1.0
  Zn  Zn2  1  0.000  0.000  0.472  1.0
  Te  Te3  1  0.000  0.500  0.277  1.0
  Te  Te4  1  0.500  0.000  0.707  1.0
  Mo  Mo5  1  0.000  0.500  0.774  1.0
  Mo  Mo6  1  0.500  0.000  0.231  1.0
  O  O7  1  0.232  0.320  0.398  1.0
  O  O8  1  0.768  0.680  0.398  1.0
  O  O9  1  0.751  0.692  0.674  1.0
  O  O10  1  0.282  0.821  0.588  1.0
  O  O11  1  0.632  0.753  0.121  1.0
  O  O12  1  0.772  0.346  0.885  1.0
  O  O13  1  0.249  0.308  0.674  1.0
  O  O14  1  0.718  0.179  0.588  1.0
  O  O15  1  0.222  0.819  0.309  1.0
  O  O16  1  0.778  0.181  0.309  1.0
  O  O17  1  0.228  0.654  0.885  1.0
  O  O18  1  0.368  0.247  0.121  1.0
[/CIF]
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