The material structure described by LiMoCdO5 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form LiO5 trigonal bipyramids that share  a cornercorner with one Cd(1)O6 octahedra, corners with five equivalent Mo(1)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 59°. Mo(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form MoO4 tetrahedra that share corners with three equivalent Cd(1)O6 octahedra and corners with five equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 54-57°. Cd(1) is bonded to one O(3), two equivalent O(4), and three equivalent O(5) atoms to form CdO6 octahedra that share corners with four equivalent Cd(1)O6 octahedra, corners with three equivalent Mo(1)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and edges with two equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-58°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Mo(1), and one Cd(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mo(1) and two equivalent Cd(1) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to three equivalent Cd(1) atoms. is represented by the CIF card [CIF]
data_LiCdMoO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.815
_cell_length_b   8.021
_cell_length_c   10.032
_cell_angle_alpha   74.764
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   451.466
_cell_formula_units_Z   4
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
  Li  Li0  1  0.081  0.350  0.449  1.0
  Li  Li1  1  0.581  0.150  0.551  1.0
  Li  Li2  1  0.919  0.650  0.551  1.0
  Li  Li3  1  0.419  0.850  0.449  1.0
  Cd  Cd4  1  0.239  0.374  0.064  1.0
  Cd  Cd5  1  0.739  0.126  0.936  1.0
  Cd  Cd6  1  0.761  0.626  0.936  1.0
  Cd  Cd7  1  0.261  0.874  0.064  1.0
  Mo  Mo8  1  0.582  0.534  0.312  1.0
  Mo  Mo9  1  0.082  0.966  0.688  1.0
  Mo  Mo10  1  0.418  0.466  0.688  1.0
  Mo  Mo11  1  0.918  0.034  0.312  1.0
  O  O12  1  0.425  0.371  0.436  1.0
  O  O13  1  0.925  0.129  0.564  1.0
  O  O14  1  0.575  0.629  0.564  1.0
  O  O15  1  0.075  0.871  0.436  1.0
  O  O16  1  0.871  0.543  0.368  1.0
  O  O17  1  0.371  0.957  0.632  1.0
  O  O18  1  0.129  0.457  0.632  1.0
  O  O19  1  0.629  0.043  0.368  1.0
  O  O20  1  0.056  0.242  0.277  1.0
  O  O21  1  0.556  0.258  0.723  1.0
  O  O22  1  0.944  0.758  0.723  1.0
  O  O23  1  0.444  0.742  0.277  1.0
  O  O24  1  0.928  0.973  0.149  1.0
  O  O25  1  0.428  0.527  0.851  1.0
  O  O26  1  0.072  0.027  0.851  1.0
  O  O27  1  0.572  0.473  0.149  1.0
  O  O28  1  0.419  0.130  0.063  1.0
  O  O29  1  0.919  0.370  0.937  1.0
  O  O30  1  0.581  0.870  0.937  1.0
  O  O31  1  0.081  0.630  0.063  1.0
[/CIF]
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The material structure described by LiMoCdO5 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form LiO5 trigonal bipyramids that share  a cornercorner with one Cd(1)O6 octahedra, corners with five equivalent Mo(1)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 59°. Mo(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form MoO4 tetrahedra that share corners with three equivalent Cd(1)O6 octahedra and corners with five equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 54-57°. Cd(1) is bonded to one O(3), two equivalent O(4), and three equivalent O(5) atoms to form CdO6 octahedra that share corners with four equivalent Cd(1)O6 octahedra, corners with three equivalent Mo(1)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and edges with two equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-58°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Mo(1), and one Cd(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mo(1) and two equivalent Cd(1) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to three equivalent Cd(1) atoms. is represented by the CIF card [CIF]
data_LiCdMoO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.815
_cell_length_b   8.021
_cell_length_c   10.032
_cell_angle_alpha   74.764
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   451.466
_cell_formula_units_Z   4
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
  Li  Li0  1  0.081  0.350  0.449  1.0
  Li  Li1  1  0.581  0.150  0.551  1.0
  Li  Li2  1  0.919  0.650  0.551  1.0
  Li  Li3  1  0.419  0.850  0.449  1.0
  Cd  Cd4  1  0.239  0.374  0.064  1.0
  Cd  Cd5  1  0.739  0.126  0.936  1.0
  Cd  Cd6  1  0.761  0.626  0.936  1.0
  Cd  Cd7  1  0.261  0.874  0.064  1.0
  Mo  Mo8  1  0.582  0.534  0.312  1.0
  Mo  Mo9  1  0.082  0.966  0.688  1.0
  Mo  Mo10  1  0.418  0.466  0.688  1.0
  Mo  Mo11  1  0.918  0.034  0.312  1.0
  O  O12  1  0.425  0.371  0.436  1.0
  O  O13  1  0.925  0.129  0.564  1.0
  O  O14  1  0.575  0.629  0.564  1.0
  O  O15  1  0.075  0.871  0.436  1.0
  O  O16  1  0.871  0.543  0.368  1.0
  O  O17  1  0.371  0.957  0.632  1.0
  O  O18  1  0.129  0.457  0.632  1.0
  O  O19  1  0.629  0.043  0.368  1.0
  O  O20  1  0.056  0.242  0.277  1.0
  O  O21  1  0.556  0.258  0.723  1.0
  O  O22  1  0.944  0.758  0.723  1.0
  O  O23  1  0.444  0.742  0.277  1.0
  O  O24  1  0.928  0.973  0.149  1.0
  O  O25  1  0.428  0.527  0.851  1.0
  O  O26  1  0.072  0.027  0.851  1.0
  O  O27  1  0.572  0.473  0.149  1.0
  O  O28  1  0.419  0.130  0.063  1.0
  O  O29  1  0.919  0.370  0.937  1.0
  O  O30  1  0.581  0.870  0.937  1.0
  O  O31  1  0.081  0.630  0.063  1.0
[/CIF]
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