The material described by W3MoCd4O16 crystallizes in the monoclinic C2 space group. There are three inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(8) atoms to form distorted WO6 octahedra that share corners with four equivalent Cd(1)O6 octahedra, corners with four equivalent Cd(2)O6 octahedra, and edges with two equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-59°. In the second W site, W(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms to form distorted WO6 octahedra that share corners with four equivalent Cd(1)O6 octahedra, corners with four equivalent Cd(2)O6 octahedra, and edges with two equivalent W(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-59°. In the third W site, W(3) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms to form distorted WO6 octahedra that share corners with four equivalent Cd(1)O6 octahedra, corners with four equivalent Cd(2)O6 octahedra, and edges with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-59°. Mo(1) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(8) atoms to form distorted MoO6 octahedra that share corners with four equivalent Cd(1)O6 octahedra, corners with four equivalent Cd(2)O6 octahedra, and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-60°. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form distorted CdO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with two equivalent W(2)O6 octahedra, corners with two equivalent W(3)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Cd(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-60°. In the second Cd site, Cd(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted CdO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with two equivalent W(2)O6 octahedra, corners with two equivalent W(3)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-59°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one W(1), one Cd(1), and one Cd(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one W(2), one Cd(1), and one Cd(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mo(1), one Cd(1), and one Cd(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one W(3), one Cd(1), and one Cd(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one W(2), one W(3), and one Cd(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one W(1), one Mo(1), and one Cd(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one W(2), one W(3), and one Cd(1) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one W(1), one Mo(1), and one Cd(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd4MoW3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.859
_cell_length_b   7.859
_cell_length_c   5.187
_cell_angle_alpha   88.545
_cell_angle_beta   88.545
_cell_angle_gamma   98.758
_symmetry_Int_Tables_number   1
_cell_volume   316.408
_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
  Cd  Cd0  1  0.595  0.900  0.499  1.0
  Cd  Cd1  1  0.100  0.405  0.501  1.0
  Cd  Cd2  1  0.404  0.096  0.002  1.0
  Cd  Cd3  1  0.904  0.596  0.998  1.0
  Mo  Mo4  1  0.589  0.411  0.500  1.0
  W  W5  1  0.413  0.587  0.000  1.0
  W  W6  1  0.914  0.086  0.000  1.0
  W  W7  1  0.086  0.914  0.500  1.0
  O  O8  1  0.435  0.807  0.862  1.0
  O  O9  1  0.936  0.306  0.862  1.0
  O  O10  1  0.694  0.064  0.138  1.0
  O  O11  1  0.193  0.565  0.138  1.0
  O  O12  1  0.564  0.195  0.637  1.0
  O  O13  1  0.063  0.694  0.636  1.0
  O  O14  1  0.306  0.937  0.364  1.0
  O  O15  1  0.805  0.436  0.363  1.0
  O  O16  1  0.149  0.053  0.801  1.0
  O  O17  1  0.648  0.553  0.798  1.0
  O  O18  1  0.447  0.352  0.202  1.0
  O  O19  1  0.947  0.851  0.199  1.0
  O  O20  1  0.851  0.948  0.699  1.0
  O  O21  1  0.350  0.446  0.704  1.0
  O  O22  1  0.554  0.650  0.296  1.0
  O  O23  1  0.052  0.149  0.301  1.0
[/CIF]
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The material described by W3MoCd4O16 crystallizes in the monoclinic C2 space group. There are three inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(8) atoms to form distorted WO6 octahedra that share corners with four equivalent Cd(1)O6 octahedra, corners with four equivalent Cd(2)O6 octahedra, and edges with two equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-59°. In the second W site, W(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms to form distorted WO6 octahedra that share corners with four equivalent Cd(1)O6 octahedra, corners with four equivalent Cd(2)O6 octahedra, and edges with two equivalent W(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-59°. In the third W site, W(3) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms to form distorted WO6 octahedra that share corners with four equivalent Cd(1)O6 octahedra, corners with four equivalent Cd(2)O6 octahedra, and edges with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-59°. Mo(1) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(8) atoms to form distorted MoO6 octahedra that share corners with four equivalent Cd(1)O6 octahedra, corners with four equivalent Cd(2)O6 octahedra, and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-60°. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form distorted CdO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with two equivalent W(2)O6 octahedra, corners with two equivalent W(3)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Cd(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-60°. In the second Cd site, Cd(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted CdO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with two equivalent W(2)O6 octahedra, corners with two equivalent W(3)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-59°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one W(1), one Cd(1), and one Cd(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one W(2), one Cd(1), and one Cd(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mo(1), one Cd(1), and one Cd(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one W(3), one Cd(1), and one Cd(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one W(2), one W(3), and one Cd(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one W(1), one Mo(1), and one Cd(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one W(2), one W(3), and one Cd(1) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one W(1), one Mo(1), and one Cd(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd4MoW3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.859
_cell_length_b   7.859
_cell_length_c   5.187
_cell_angle_alpha   88.545
_cell_angle_beta   88.545
_cell_angle_gamma   98.758
_symmetry_Int_Tables_number   1
_cell_volume   316.408
_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
  Cd  Cd0  1  0.595  0.900  0.499  1.0
  Cd  Cd1  1  0.100  0.405  0.501  1.0
  Cd  Cd2  1  0.404  0.096  0.002  1.0
  Cd  Cd3  1  0.904  0.596  0.998  1.0
  Mo  Mo4  1  0.589  0.411  0.500  1.0
  W  W5  1  0.413  0.587  0.000  1.0
  W  W6  1  0.914  0.086  0.000  1.0
  W  W7  1  0.086  0.914  0.500  1.0
  O  O8  1  0.435  0.807  0.862  1.0
  O  O9  1  0.936  0.306  0.862  1.0
  O  O10  1  0.694  0.064  0.138  1.0
  O  O11  1  0.193  0.565  0.138  1.0
  O  O12  1  0.564  0.195  0.637  1.0
  O  O13  1  0.063  0.694  0.636  1.0
  O  O14  1  0.306  0.937  0.364  1.0
  O  O15  1  0.805  0.436  0.363  1.0
  O  O16  1  0.149  0.053  0.801  1.0
  O  O17  1  0.648  0.553  0.798  1.0
  O  O18  1  0.447  0.352  0.202  1.0
  O  O19  1  0.947  0.851  0.199  1.0
  O  O20  1  0.851  0.948  0.699  1.0
  O  O21  1  0.350  0.446  0.704  1.0
  O  O22  1  0.554  0.650  0.296  1.0
  O  O23  1  0.052  0.149  0.301  1.0
[/CIF]
.