The compound described by Li3CuSiCO7 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(4) atoms. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Cu(1)O6 octahedra, corners with three equivalent Si(1)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, and edges with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 62-87°. Cu(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form distorted CuO6 octahedra that share corners with four equivalent Si(1)O4 tetrahedra, corners with four equivalent Li(2)O5 trigonal bipyramids, and edges with two equivalent Li(2)O5 trigonal bipyramids. Si(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form SiO4 tetrahedra that share corners with four equivalent Cu(1)O6 octahedra and corners with six equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 49-61°. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(2), and one C(1) atom to form a mixture of edge and corner-sharing OLi3C tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one C(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to two equivalent Li(2), one Cu(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Cu(1), and one Si(1) atom. In the fifth O site, O(5) is bonded to two equivalent Li(2), one Cu(1), and one Si(1) atom to form OLi2CuSi tetrahedra that share corners with four equivalent O(6)Li2CuSi trigonal pyramids and  an edgeedge with one O(1)Li3C tetrahedra. In the sixth O site, O(6) is bonded to two equivalent Li(2), one Cu(1), and one Si(1) atom to form distorted OLi2CuSi trigonal pyramids that share corners with two equivalent O(1)Li3C tetrahedra and corners with four equivalent O(5)Li2CuSi tetrahedra. is represented by the CIF card [CIF]
data_Li3CuSiCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.369
_cell_length_b   4.951
_cell_length_c   8.411
_cell_angle_alpha   86.514
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   264.746
_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  0.750  0.241  0.894  1.0
  Li  Li1  1  0.980  0.771  0.721  1.0
  Li  Li2  1  0.520  0.771  0.721  1.0
  Li  Li3  1  0.480  0.229  0.279  1.0
  Li  Li4  1  0.020  0.229  0.279  1.0
  Li  Li5  1  0.250  0.759  0.106  1.0
  Cu  Cu6  1  0.250  0.201  0.667  1.0
  Cu  Cu7  1  0.750  0.799  0.333  1.0
  Si  Si8  1  0.750  0.293  0.579  1.0
  Si  Si9  1  0.250  0.707  0.421  1.0
  C  C10  1  0.250  0.279  0.964  1.0
  C  C11  1  0.750  0.721  0.036  1.0
  O  O12  1  0.750  0.665  0.888  1.0
  O  O13  1  0.250  0.033  0.921  1.0
  O  O14  1  0.250  0.474  0.854  1.0
  O  O15  1  0.944  0.188  0.697  1.0
  O  O16  1  0.556  0.188  0.697  1.0
  O  O17  1  0.750  0.628  0.555  1.0
  O  O18  1  0.250  0.823  0.598  1.0
  O  O19  1  0.750  0.177  0.402  1.0
  O  O20  1  0.250  0.372  0.445  1.0
  O  O21  1  0.444  0.812  0.303  1.0
  O  O22  1  0.056  0.812  0.303  1.0
  O  O23  1  0.750  0.526  0.146  1.0
  O  O24  1  0.750  0.967  0.079  1.0
  O  O25  1  0.250  0.335  0.112  1.0
[/CIF]
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The compound described by Li3CuSiCO7 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(4) atoms. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Cu(1)O6 octahedra, corners with three equivalent Si(1)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, and edges with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 62-87°. Cu(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form distorted CuO6 octahedra that share corners with four equivalent Si(1)O4 tetrahedra, corners with four equivalent Li(2)O5 trigonal bipyramids, and edges with two equivalent Li(2)O5 trigonal bipyramids. Si(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form SiO4 tetrahedra that share corners with four equivalent Cu(1)O6 octahedra and corners with six equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 49-61°. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(2), and one C(1) atom to form a mixture of edge and corner-sharing OLi3C tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one C(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to two equivalent Li(2), one Cu(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Cu(1), and one Si(1) atom. In the fifth O site, O(5) is bonded to two equivalent Li(2), one Cu(1), and one Si(1) atom to form OLi2CuSi tetrahedra that share corners with four equivalent O(6)Li2CuSi trigonal pyramids and  an edgeedge with one O(1)Li3C tetrahedra. In the sixth O site, O(6) is bonded to two equivalent Li(2), one Cu(1), and one Si(1) atom to form distorted OLi2CuSi trigonal pyramids that share corners with two equivalent O(1)Li3C tetrahedra and corners with four equivalent O(5)Li2CuSi tetrahedra. is represented by the CIF card [CIF]
data_Li3CuSiCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.369
_cell_length_b   4.951
_cell_length_c   8.411
_cell_angle_alpha   86.514
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   264.746
_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  0.750  0.241  0.894  1.0
  Li  Li1  1  0.980  0.771  0.721  1.0
  Li  Li2  1  0.520  0.771  0.721  1.0
  Li  Li3  1  0.480  0.229  0.279  1.0
  Li  Li4  1  0.020  0.229  0.279  1.0
  Li  Li5  1  0.250  0.759  0.106  1.0
  Cu  Cu6  1  0.250  0.201  0.667  1.0
  Cu  Cu7  1  0.750  0.799  0.333  1.0
  Si  Si8  1  0.750  0.293  0.579  1.0
  Si  Si9  1  0.250  0.707  0.421  1.0
  C  C10  1  0.250  0.279  0.964  1.0
  C  C11  1  0.750  0.721  0.036  1.0
  O  O12  1  0.750  0.665  0.888  1.0
  O  O13  1  0.250  0.033  0.921  1.0
  O  O14  1  0.250  0.474  0.854  1.0
  O  O15  1  0.944  0.188  0.697  1.0
  O  O16  1  0.556  0.188  0.697  1.0
  O  O17  1  0.750  0.628  0.555  1.0
  O  O18  1  0.250  0.823  0.598  1.0
  O  O19  1  0.750  0.177  0.402  1.0
  O  O20  1  0.250  0.372  0.445  1.0
  O  O21  1  0.444  0.812  0.303  1.0
  O  O22  1  0.056  0.812  0.303  1.0
  O  O23  1  0.750  0.526  0.146  1.0
  O  O24  1  0.750  0.967  0.079  1.0
  O  O25  1  0.250  0.335  0.112  1.0
[/CIF]
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