The structure described by MgCd2Te2(MoO6)2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a distorted T-shaped geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a tetrahedral geometry to one O(1), one O(3), and two equivalent O(4) atoms. In the second Mo site, Mo(2) is bonded in a 4-coordinate geometry to one O(5), one O(6), two equivalent O(2), and two equivalent O(8) atoms. Cd(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), one O(7), one O(9), two equivalent O(4), and two equivalent O(8) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted see-saw-like geometry to one O(7), one O(9), and two equivalent O(4) atoms. In the second Te site, Te(2) is bonded in a 4-coordinate geometry to one O(5), one O(6), and two equivalent O(8) atoms. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mo(1) atom. In the second O site, O(2) is bonded in an L-shaped geometry to one Mg(1) and one Mo(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Mo(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Mo(1), two equivalent Cd(1), and one Te(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Mo(2), two equivalent Cd(1), and one Te(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Mo(2), two equivalent Cd(1), and one Te(2) atom. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to two equivalent Cd(1) and one Te(1) atom. In the eighth O site, O(8) is bonded to one Mo(2), two equivalent Cd(1), and one Te(2) atom to form distorted corner-sharing OCd2TeMo tetrahedra. In the ninth O site, O(9) is bonded in a trigonal planar geometry to two equivalent Cd(1) and one Te(1) atom. is represented by the CIF card [CIF]
data_MgCd2Te2(MoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.342
_cell_length_b   5.342
_cell_length_c   11.287
_cell_angle_alpha   86.332
_cell_angle_beta   93.668
_cell_angle_gamma   92.978
_symmetry_Int_Tables_number   1
_cell_volume   320.462
_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  0.124  0.376  0.985  1.0
  Cd  Cd1  1  0.997  0.012  0.503  1.0
  Cd  Cd2  1  0.488  0.503  0.503  1.0
  Te  Te3  1  0.968  0.532  0.294  1.0
  Te  Te4  1  0.525  0.975  0.721  1.0
  Mo  Mo5  1  0.459  0.041  0.230  1.0
  Mo  Mo6  1  0.028  0.472  0.739  1.0
  O  O7  1  0.246  0.254  0.136  1.0
  O  O8  1  0.240  0.618  0.859  1.0
  O  O9  1  0.647  0.853  0.150  1.0
  O  O10  1  0.882  0.260  0.859  1.0
  O  O11  1  0.260  0.807  0.327  1.0
  O  O12  1  0.244  0.256  0.672  1.0
  O  O13  1  0.693  0.240  0.327  1.0
  O  O14  1  0.785  0.715  0.689  1.0
  O  O15  1  0.181  0.319  0.395  1.0
  O  O16  1  0.304  0.785  0.612  1.0
  O  O17  1  0.813  0.687  0.416  1.0
  O  O18  1  0.715  0.196  0.612  1.0
[/CIF]
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The structure described by MgCd2Te2(MoO6)2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a distorted T-shaped geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a tetrahedral geometry to one O(1), one O(3), and two equivalent O(4) atoms. In the second Mo site, Mo(2) is bonded in a 4-coordinate geometry to one O(5), one O(6), two equivalent O(2), and two equivalent O(8) atoms. Cd(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), one O(7), one O(9), two equivalent O(4), and two equivalent O(8) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted see-saw-like geometry to one O(7), one O(9), and two equivalent O(4) atoms. In the second Te site, Te(2) is bonded in a 4-coordinate geometry to one O(5), one O(6), and two equivalent O(8) atoms. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mo(1) atom. In the second O site, O(2) is bonded in an L-shaped geometry to one Mg(1) and one Mo(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Mo(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Mo(1), two equivalent Cd(1), and one Te(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Mo(2), two equivalent Cd(1), and one Te(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Mo(2), two equivalent Cd(1), and one Te(2) atom. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to two equivalent Cd(1) and one Te(1) atom. In the eighth O site, O(8) is bonded to one Mo(2), two equivalent Cd(1), and one Te(2) atom to form distorted corner-sharing OCd2TeMo tetrahedra. In the ninth O site, O(9) is bonded in a trigonal planar geometry to two equivalent Cd(1) and one Te(1) atom. is represented by the CIF card [CIF]
data_MgCd2Te2(MoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.342
_cell_length_b   5.342
_cell_length_c   11.287
_cell_angle_alpha   86.332
_cell_angle_beta   93.668
_cell_angle_gamma   92.978
_symmetry_Int_Tables_number   1
_cell_volume   320.462
_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  0.124  0.376  0.985  1.0
  Cd  Cd1  1  0.997  0.012  0.503  1.0
  Cd  Cd2  1  0.488  0.503  0.503  1.0
  Te  Te3  1  0.968  0.532  0.294  1.0
  Te  Te4  1  0.525  0.975  0.721  1.0
  Mo  Mo5  1  0.459  0.041  0.230  1.0
  Mo  Mo6  1  0.028  0.472  0.739  1.0
  O  O7  1  0.246  0.254  0.136  1.0
  O  O8  1  0.240  0.618  0.859  1.0
  O  O9  1  0.647  0.853  0.150  1.0
  O  O10  1  0.882  0.260  0.859  1.0
  O  O11  1  0.260  0.807  0.327  1.0
  O  O12  1  0.244  0.256  0.672  1.0
  O  O13  1  0.693  0.240  0.327  1.0
  O  O14  1  0.785  0.715  0.689  1.0
  O  O15  1  0.181  0.319  0.395  1.0
  O  O16  1  0.304  0.785  0.612  1.0
  O  O17  1  0.813  0.687  0.416  1.0
  O  O18  1  0.715  0.196  0.612  1.0
[/CIF]
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