The material described by TaMoZn2O6 crystallizes in the monoclinic P2_1/m space group. Ta(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with four equivalent Mo(1)O6 octahedra, corners with four equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-48°. 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, corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-48°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form distorted ZnO4 tetrahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Mo(1)O6 octahedra, and corners with two equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 63-84°. In the second Zn site, Zn(2) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form distorted ZnO4 tetrahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Mo(1)O6 octahedra, and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 67-81°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ta(1), one Mo(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ta(1), one Mo(1), and one Zn(2) atom. In the third O site, O(3) is bonded to two equivalent Ta(1), one Zn(1), and one Zn(2) atom to form distorted OTa2Zn2 tetrahedra that share corners with two equivalent O(3)Ta2Zn2 tetrahedra and corners with two equivalent O(4)Zn2Mo2 tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Mo(1), one Zn(1), and one Zn(2) atom to form distorted OZn2Mo2 tetrahedra that share corners with two equivalent O(3)Ta2Zn2 tetrahedra and corners with two equivalent O(4)Zn2Mo2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaZn2MoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.858
_cell_length_b   5.391
_cell_length_c   5.402
_cell_angle_alpha   88.316
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   228.757
_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
  Ta  Ta0  1  0.000  0.500  0.000  1.0
  Ta  Ta1  1  0.500  0.500  0.000  1.0
  Zn  Zn2  1  0.250  0.985  0.980  1.0
  Zn  Zn3  1  0.250  0.469  0.506  1.0
  Zn  Zn4  1  0.750  0.531  0.494  1.0
  Zn  Zn5  1  0.750  0.015  0.020  1.0
  Mo  Mo6  1  0.000  0.000  0.500  1.0
  Mo  Mo7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.567  0.819  0.847  1.0
  O  O9  1  0.434  0.661  0.313  1.0
  O  O10  1  0.433  0.181  0.153  1.0
  O  O11  1  0.934  0.339  0.687  1.0
  O  O12  1  0.750  0.424  0.121  1.0
  O  O13  1  0.566  0.339  0.687  1.0
  O  O14  1  0.066  0.661  0.313  1.0
  O  O15  1  0.933  0.819  0.847  1.0
  O  O16  1  0.250  0.103  0.623  1.0
  O  O17  1  0.067  0.181  0.153  1.0
  O  O18  1  0.750  0.897  0.377  1.0
  O  O19  1  0.250  0.576  0.879  1.0
[/CIF]
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The material described by TaMoZn2O6 crystallizes in the monoclinic P2_1/m space group. Ta(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with four equivalent Mo(1)O6 octahedra, corners with four equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-48°. 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, corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-48°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form distorted ZnO4 tetrahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Mo(1)O6 octahedra, and corners with two equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 63-84°. In the second Zn site, Zn(2) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form distorted ZnO4 tetrahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Mo(1)O6 octahedra, and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 67-81°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ta(1), one Mo(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ta(1), one Mo(1), and one Zn(2) atom. In the third O site, O(3) is bonded to two equivalent Ta(1), one Zn(1), and one Zn(2) atom to form distorted OTa2Zn2 tetrahedra that share corners with two equivalent O(3)Ta2Zn2 tetrahedra and corners with two equivalent O(4)Zn2Mo2 tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Mo(1), one Zn(1), and one Zn(2) atom to form distorted OZn2Mo2 tetrahedra that share corners with two equivalent O(3)Ta2Zn2 tetrahedra and corners with two equivalent O(4)Zn2Mo2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaZn2MoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.858
_cell_length_b   5.391
_cell_length_c   5.402
_cell_angle_alpha   88.316
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   228.757
_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
  Ta  Ta0  1  0.000  0.500  0.000  1.0
  Ta  Ta1  1  0.500  0.500  0.000  1.0
  Zn  Zn2  1  0.250  0.985  0.980  1.0
  Zn  Zn3  1  0.250  0.469  0.506  1.0
  Zn  Zn4  1  0.750  0.531  0.494  1.0
  Zn  Zn5  1  0.750  0.015  0.020  1.0
  Mo  Mo6  1  0.000  0.000  0.500  1.0
  Mo  Mo7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.567  0.819  0.847  1.0
  O  O9  1  0.434  0.661  0.313  1.0
  O  O10  1  0.433  0.181  0.153  1.0
  O  O11  1  0.934  0.339  0.687  1.0
  O  O12  1  0.750  0.424  0.121  1.0
  O  O13  1  0.566  0.339  0.687  1.0
  O  O14  1  0.066  0.661  0.313  1.0
  O  O15  1  0.933  0.819  0.847  1.0
  O  O16  1  0.250  0.103  0.623  1.0
  O  O17  1  0.067  0.181  0.153  1.0
  O  O18  1  0.750  0.897  0.377  1.0
  O  O19  1  0.250  0.576  0.879  1.0
[/CIF]
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