The compound described by LiCdBO3 crystallizes in the hexagonal P-6 space group. Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra and corners with six equivalent Cd(1)O5 trigonal bipyramids. Cd(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CdO5 trigonal bipyramids that share corners with six equivalent Li(1)O4 tetrahedra and edges with two equivalent Cd(1)O5 trigonal bipyramids. There are three inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. In the second B site, B(2) is bonded in a trigonal planar geometry to three equivalent O(3) atoms. In the third B site, B(3) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Cd(1), and one B(1) atom to form distorted corner-sharing OLi2CdB tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Cd(1), and one B(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Cd(1), and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCdBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.434
_cell_length_b   8.434
_cell_length_c   3.316
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   204.266
_cell_formula_units_Z   3
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  0.291  0.008  0.500  1.0
  Li  Li1  1  0.717  0.709  0.500  1.0
  Li  Li2  1  0.992  0.283  0.500  1.0
  Cd  Cd3  1  0.631  0.995  0.000  1.0
  Cd  Cd4  1  0.005  0.636  0.000  1.0
  Cd  Cd5  1  0.364  0.369  0.000  1.0
  B  B6  1  0.000  0.000  0.000  1.0
  B  B7  1  0.667  0.333  0.500  1.0
  B  B8  1  0.333  0.667  0.500  1.0
  O  O9  1  0.188  0.063  0.000  1.0
  O  O10  1  0.937  0.125  0.000  1.0
  O  O11  1  0.875  0.812  0.000  1.0
  O  O12  1  0.250  0.476  0.500  1.0
  O  O13  1  0.227  0.750  0.500  1.0
  O  O14  1  0.524  0.773  0.500  1.0
  O  O15  1  0.582  0.439  0.500  1.0
  O  O16  1  0.857  0.418  0.500  1.0
  O  O17  1  0.561  0.143  0.500  1.0
[/CIF]
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The compound described by LiCdBO3 crystallizes in the hexagonal P-6 space group. Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra and corners with six equivalent Cd(1)O5 trigonal bipyramids. Cd(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CdO5 trigonal bipyramids that share corners with six equivalent Li(1)O4 tetrahedra and edges with two equivalent Cd(1)O5 trigonal bipyramids. There are three inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. In the second B site, B(2) is bonded in a trigonal planar geometry to three equivalent O(3) atoms. In the third B site, B(3) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Cd(1), and one B(1) atom to form distorted corner-sharing OLi2CdB tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Cd(1), and one B(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Cd(1), and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCdBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.434
_cell_length_b   8.434
_cell_length_c   3.316
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   204.266
_cell_formula_units_Z   3
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  0.291  0.008  0.500  1.0
  Li  Li1  1  0.717  0.709  0.500  1.0
  Li  Li2  1  0.992  0.283  0.500  1.0
  Cd  Cd3  1  0.631  0.995  0.000  1.0
  Cd  Cd4  1  0.005  0.636  0.000  1.0
  Cd  Cd5  1  0.364  0.369  0.000  1.0
  B  B6  1  0.000  0.000  0.000  1.0
  B  B7  1  0.667  0.333  0.500  1.0
  B  B8  1  0.333  0.667  0.500  1.0
  O  O9  1  0.188  0.063  0.000  1.0
  O  O10  1  0.937  0.125  0.000  1.0
  O  O11  1  0.875  0.812  0.000  1.0
  O  O12  1  0.250  0.476  0.500  1.0
  O  O13  1  0.227  0.750  0.500  1.0
  O  O14  1  0.524  0.773  0.500  1.0
  O  O15  1  0.582  0.439  0.500  1.0
  O  O16  1  0.857  0.418  0.500  1.0
  O  O17  1  0.561  0.143  0.500  1.0
[/CIF]
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