The material described by Li2Cu(SiO3)2 crystallizes in the orthorhombic Fdd2 space group. Li(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with three equivalent Cu(1)O4 tetrahedra, and corners with five equivalent Si(1)O4 tetrahedra. Cu(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CuO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra and corners with six equivalent Li(1)O4 tetrahedra. Si(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form SiO4 tetrahedra that share corners with two equivalent Cu(1)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with five equivalent Li(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Li(1), one Cu(1), and one Si(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Cu(1), and one Si(1) atom to form corner-sharing OLi2CuSi tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and two equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_Li2Cu(SiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.417
_cell_length_b   10.396
_cell_length_c   5.103
_cell_angle_alpha   76.035
_cell_angle_beta   75.582
_cell_angle_gamma   28.383
_symmetry_Int_Tables_number   1
_cell_volume   254.091
_cell_formula_units_Z   2
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  0.917  0.420  0.138  1.0
  Li  Li1  1  0.830  0.333  0.724  1.0
  Li  Li2  1  0.112  0.724  0.333  1.0
  Li  Li3  1  0.526  0.138  0.420  1.0
  Cu  Cu4  1  0.700  0.300  0.300  1.0
  Cu  Cu5  1  0.950  0.550  0.550  1.0
  Si  Si6  1  0.398  0.940  0.500  1.0
  Si  Si7  1  0.310  0.852  0.087  1.0
  Si  Si8  1  0.750  0.087  0.852  1.0
  Si  Si9  1  0.163  0.500  0.940  1.0
  O  O10  1  0.606  0.883  0.402  1.0
  O  O11  1  0.077  0.258  0.492  1.0
  O  O12  1  0.485  0.775  0.798  1.0
  O  O13  1  0.475  0.765  0.309  1.0
  O  O14  1  0.992  0.173  0.077  1.0
  O  O15  1  0.367  0.644  0.141  1.0
  O  O16  1  0.848  0.141  0.644  1.0
  O  O17  1  0.758  0.077  0.173  1.0
  O  O18  1  0.452  0.309  0.765  1.0
  O  O19  1  0.941  0.798  0.775  1.0
  O  O20  1  0.173  0.492  0.258  1.0
  O  O21  1  0.109  0.402  0.883  1.0
[/CIF]
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The material described by Li2Cu(SiO3)2 crystallizes in the orthorhombic Fdd2 space group. Li(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with three equivalent Cu(1)O4 tetrahedra, and corners with five equivalent Si(1)O4 tetrahedra. Cu(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CuO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra and corners with six equivalent Li(1)O4 tetrahedra. Si(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form SiO4 tetrahedra that share corners with two equivalent Cu(1)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with five equivalent Li(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Li(1), one Cu(1), and one Si(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Cu(1), and one Si(1) atom to form corner-sharing OLi2CuSi tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and two equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_Li2Cu(SiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.417
_cell_length_b   10.396
_cell_length_c   5.103
_cell_angle_alpha   76.035
_cell_angle_beta   75.582
_cell_angle_gamma   28.383
_symmetry_Int_Tables_number   1
_cell_volume   254.091
_cell_formula_units_Z   2
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  0.917  0.420  0.138  1.0
  Li  Li1  1  0.830  0.333  0.724  1.0
  Li  Li2  1  0.112  0.724  0.333  1.0
  Li  Li3  1  0.526  0.138  0.420  1.0
  Cu  Cu4  1  0.700  0.300  0.300  1.0
  Cu  Cu5  1  0.950  0.550  0.550  1.0
  Si  Si6  1  0.398  0.940  0.500  1.0
  Si  Si7  1  0.310  0.852  0.087  1.0
  Si  Si8  1  0.750  0.087  0.852  1.0
  Si  Si9  1  0.163  0.500  0.940  1.0
  O  O10  1  0.606  0.883  0.402  1.0
  O  O11  1  0.077  0.258  0.492  1.0
  O  O12  1  0.485  0.775  0.798  1.0
  O  O13  1  0.475  0.765  0.309  1.0
  O  O14  1  0.992  0.173  0.077  1.0
  O  O15  1  0.367  0.644  0.141  1.0
  O  O16  1  0.848  0.141  0.644  1.0
  O  O17  1  0.758  0.077  0.173  1.0
  O  O18  1  0.452  0.309  0.765  1.0
  O  O19  1  0.941  0.798  0.775  1.0
  O  O20  1  0.173  0.492  0.258  1.0
  O  O21  1  0.109  0.402  0.883  1.0
[/CIF]
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