The structure described by LiCdPO4 is Hausmannite-derived structured and crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form LiO6 octahedra that share corners with four equivalent Cd(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cd(1)O6 octahedra, and edges with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-72°. Cd(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted CdO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Cd(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-72°. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Cd(1)O6 octahedra,  an edgeedge with one Cd(1)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-59°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Cd(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Cd(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Cd(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Cd(1), and one P(1) atom. is represented by the CIF file [CIF]
data_LiCdPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.866
_cell_length_b   6.386
_cell_length_c   10.914
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   339.192
_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  0.013  0.007  0.497  1.0
  Li  Li1  1  0.987  0.507  0.503  1.0
  Li  Li2  1  0.513  0.507  0.003  1.0
  Li  Li3  1  0.487  0.007  0.997  1.0
  Cd  Cd4  1  0.456  0.252  0.716  1.0
  Cd  Cd5  1  0.544  0.752  0.284  1.0
  Cd  Cd6  1  0.044  0.252  0.216  1.0
  Cd  Cd7  1  0.956  0.752  0.784  1.0
  P  P8  1  0.104  0.749  0.089  1.0
  P  P9  1  0.896  0.249  0.911  1.0
  P  P10  1  0.604  0.249  0.411  1.0
  P  P11  1  0.396  0.749  0.589  1.0
  O  O12  1  0.774  0.252  0.044  1.0
  O  O13  1  0.789  0.746  0.092  1.0
  O  O14  1  0.226  0.752  0.956  1.0
  O  O15  1  0.733  0.444  0.344  1.0
  O  O16  1  0.289  0.246  0.408  1.0
  O  O17  1  0.233  0.944  0.156  1.0
  O  O18  1  0.274  0.752  0.456  1.0
  O  O19  1  0.267  0.944  0.656  1.0
  O  O20  1  0.760  0.055  0.846  1.0
  O  O21  1  0.711  0.746  0.592  1.0
  O  O22  1  0.240  0.555  0.154  1.0
  O  O23  1  0.726  0.252  0.544  1.0
  O  O24  1  0.767  0.444  0.844  1.0
  O  O25  1  0.260  0.555  0.654  1.0
  O  O26  1  0.211  0.246  0.908  1.0
  O  O27  1  0.740  0.055  0.346  1.0
[/CIF]
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The structure described by LiCdPO4 is Hausmannite-derived structured and crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form LiO6 octahedra that share corners with four equivalent Cd(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cd(1)O6 octahedra, and edges with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-72°. Cd(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted CdO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Cd(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-72°. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Cd(1)O6 octahedra,  an edgeedge with one Cd(1)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-59°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Cd(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Cd(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Cd(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Cd(1), and one P(1) atom. is represented by the CIF file [CIF]
data_LiCdPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.866
_cell_length_b   6.386
_cell_length_c   10.914
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   339.192
_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  0.013  0.007  0.497  1.0
  Li  Li1  1  0.987  0.507  0.503  1.0
  Li  Li2  1  0.513  0.507  0.003  1.0
  Li  Li3  1  0.487  0.007  0.997  1.0
  Cd  Cd4  1  0.456  0.252  0.716  1.0
  Cd  Cd5  1  0.544  0.752  0.284  1.0
  Cd  Cd6  1  0.044  0.252  0.216  1.0
  Cd  Cd7  1  0.956  0.752  0.784  1.0
  P  P8  1  0.104  0.749  0.089  1.0
  P  P9  1  0.896  0.249  0.911  1.0
  P  P10  1  0.604  0.249  0.411  1.0
  P  P11  1  0.396  0.749  0.589  1.0
  O  O12  1  0.774  0.252  0.044  1.0
  O  O13  1  0.789  0.746  0.092  1.0
  O  O14  1  0.226  0.752  0.956  1.0
  O  O15  1  0.733  0.444  0.344  1.0
  O  O16  1  0.289  0.246  0.408  1.0
  O  O17  1  0.233  0.944  0.156  1.0
  O  O18  1  0.274  0.752  0.456  1.0
  O  O19  1  0.267  0.944  0.656  1.0
  O  O20  1  0.760  0.055  0.846  1.0
  O  O21  1  0.711  0.746  0.592  1.0
  O  O22  1  0.240  0.555  0.154  1.0
  O  O23  1  0.726  0.252  0.544  1.0
  O  O24  1  0.767  0.444  0.844  1.0
  O  O25  1  0.260  0.555  0.654  1.0
  O  O26  1  0.211  0.246  0.908  1.0
  O  O27  1  0.740  0.055  0.346  1.0
[/CIF]
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