The compound described by LiCu3(SiO3)2 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share edges with six equivalent Si(1)O6 octahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to two equivalent O(1) atoms. In the second Cu site, Cu(2) is bonded in a linear geometry to two equivalent O(2) atoms. Si(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SiO6 octahedra that share edges with three equivalent Li(1)O6 octahedra and edges with three equivalent Si(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Cu(1), and two equivalent Si(1) atoms to form a mixture of corner and edge-sharing OLiCuSi2 trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), one Cu(2), and two equivalent Si(1) atoms to form a mixture of corner and edge-sharing OLiCuSi2 trigonal pyramids. is represented by the CIF file [CIF]
data_LiCu3(SiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.839
_cell_length_b   4.839
_cell_length_c   5.905
_cell_angle_alpha   82.150
_cell_angle_beta   82.150
_cell_angle_gamma   119.946
_symmetry_Int_Tables_number   1
_cell_volume   115.252
_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
  Li  Li0  1  0.500  0.500  0.000  1.0
  Cu  Cu1  1  0.669  0.331  0.500  1.0
  Cu  Cu2  1  0.000  0.000  0.500  1.0
  Cu  Cu3  1  0.331  0.669  0.500  1.0
  Si  Si4  1  0.167  0.833  0.000  1.0
  Si  Si5  1  0.833  0.167  0.000  1.0
  O  O6  1  0.555  0.186  0.831  1.0
  O  O7  1  0.072  0.072  0.170  1.0
  O  O8  1  0.928  0.928  0.830  1.0
  O  O9  1  0.814  0.445  0.169  1.0
  O  O10  1  0.445  0.814  0.169  1.0
  O  O11  1  0.186  0.555  0.831  1.0
[/CIF]
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The compound described by LiCu3(SiO3)2 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share edges with six equivalent Si(1)O6 octahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to two equivalent O(1) atoms. In the second Cu site, Cu(2) is bonded in a linear geometry to two equivalent O(2) atoms. Si(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SiO6 octahedra that share edges with three equivalent Li(1)O6 octahedra and edges with three equivalent Si(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Cu(1), and two equivalent Si(1) atoms to form a mixture of corner and edge-sharing OLiCuSi2 trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), one Cu(2), and two equivalent Si(1) atoms to form a mixture of corner and edge-sharing OLiCuSi2 trigonal pyramids. is represented by the CIF file [CIF]
data_LiCu3(SiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.839
_cell_length_b   4.839
_cell_length_c   5.905
_cell_angle_alpha   82.150
_cell_angle_beta   82.150
_cell_angle_gamma   119.946
_symmetry_Int_Tables_number   1
_cell_volume   115.252
_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
  Li  Li0  1  0.500  0.500  0.000  1.0
  Cu  Cu1  1  0.669  0.331  0.500  1.0
  Cu  Cu2  1  0.000  0.000  0.500  1.0
  Cu  Cu3  1  0.331  0.669  0.500  1.0
  Si  Si4  1  0.167  0.833  0.000  1.0
  Si  Si5  1  0.833  0.167  0.000  1.0
  O  O6  1  0.555  0.186  0.831  1.0
  O  O7  1  0.072  0.072  0.170  1.0
  O  O8  1  0.928  0.928  0.830  1.0
  O  O9  1  0.814  0.445  0.169  1.0
  O  O10  1  0.445  0.814  0.169  1.0
  O  O11  1  0.186  0.555  0.831  1.0
[/CIF]
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