The compound described by LiCu3(CO3)3 crystallizes in the monoclinic Pm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), and two equivalent O(4) atoms to form LiO4 tetrahedra that share corners with two equivalent Cu(3)O5 square pyramids and corners with two equivalent Cu(1)O5 trigonal bipyramids. In the second Li site, Li(2) is bonded to one O(13), one O(9), and two equivalent O(7) atoms to form LiO4 tetrahedra that share corners with two equivalent Cu(3)O5 square pyramids and corners with two equivalent Cu(1)O5 trigonal bipyramids. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(10), one O(11), one O(5), one O(6), and one O(7) atom to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, and edges with two equivalent Cu(1)O5 trigonal bipyramids. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(13), one O(2), and one O(3) atom. In the third Cu site, Cu(3) is bonded to one O(14), one O(15), one O(4), one O(8), and one O(9) atom to form CuO5 square pyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, and edges with two equivalent Cu(3)O5 square pyramids. There are five inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(7) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(5), and one O(8) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(2), one O(6), and one O(9) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(10), one O(12), and one O(14) atom. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one O(11), one O(13), and one O(15) atom. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Cu(2), and one C(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Cu(2) and one C(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(3), and one C(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu(1) and one C(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu(1) and one C(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one Cu(1), and one C(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu(3) and one C(2) atom. In the ninth O site, O(9) is bonded to one Li(2), two equivalent Cu(3), and one C(3) atom to form distorted corner-sharing OLiCu2C tetrahedra. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Cu(1), and one C(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to two equivalent Cu(1) and one C(5) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to two equivalent Cu(2) and one C(4) atom. In the thirteenth O site, O(13) is bonded to one Li(2), two equivalent Cu(2), and one C(5) atom to form distorted corner-sharing OLiCu2C tetrahedra. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to two equivalent Cu(3) and one C(4) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to two equivalent Cu(3) and one C(5) atom. is represented by the CIF card [CIF]
data_LiCu3(CO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.177
_cell_length_b   8.059
_cell_length_c   8.073
_cell_angle_alpha   60.669
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   350.335
_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  0.000  0.969  0.651  1.0
  Li  Li1  1  0.500  0.655  0.382  1.0
  Cu  Cu2  1  0.745  0.296  0.687  1.0
  Cu  Cu3  1  0.255  0.296  0.687  1.0
  Cu  Cu4  1  0.249  0.660  0.023  1.0
  Cu  Cu5  1  0.751  0.660  0.023  1.0
  Cu  Cu6  1  0.749  0.041  0.283  1.0
  Cu  Cu7  1  0.251  0.041  0.283  1.0
  C  C8  1  0.750  0.671  0.663  1.0
  C  C9  1  0.250  0.671  0.663  1.0
  C  C10  1  0.000  0.010  0.993  1.0
  C  C11  1  0.500  0.991  0.002  1.0
  C  C12  1  0.000  0.332  0.333  1.0
  C  C13  1  0.500  0.330  0.346  1.0
  O  O14  1  0.000  0.893  0.924  1.0
  O  O15  1  0.500  0.873  0.937  1.0
  O  O16  1  0.246  0.569  0.844  1.0
  O  O17  1  0.754  0.569  0.844  1.0
  O  O18  1  0.765  0.855  0.580  1.0
  O  O19  1  0.235  0.855  0.580  1.0
  O  O20  1  0.000  0.194  0.879  1.0
  O  O21  1  0.500  0.173  0.893  1.0
  O  O22  1  0.733  0.586  0.562  1.0
  O  O23  1  0.267  0.586  0.562  1.0
  O  O24  1  0.000  0.942  0.176  1.0
  O  O25  1  0.500  0.926  0.189  1.0
  O  O26  1  0.000  0.261  0.517  1.0
  O  O27  1  0.500  0.258  0.529  1.0
  O  O28  1  0.000  0.513  0.219  1.0
  O  O29  1  0.500  0.514  0.237  1.0
  O  O30  1  0.000  0.215  0.265  1.0
  O  O31  1  0.500  0.220  0.271  1.0
[/CIF]
.
The compound described by LiCu3(CO3)3 crystallizes in the monoclinic Pm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), and two equivalent O(4) atoms to form LiO4 tetrahedra that share corners with two equivalent Cu(3)O5 square pyramids and corners with two equivalent Cu(1)O5 trigonal bipyramids. In the second Li site, Li(2) is bonded to one O(13), one O(9), and two equivalent O(7) atoms to form LiO4 tetrahedra that share corners with two equivalent Cu(3)O5 square pyramids and corners with two equivalent Cu(1)O5 trigonal bipyramids. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(10), one O(11), one O(5), one O(6), and one O(7) atom to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, and edges with two equivalent Cu(1)O5 trigonal bipyramids. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(13), one O(2), and one O(3) atom. In the third Cu site, Cu(3) is bonded to one O(14), one O(15), one O(4), one O(8), and one O(9) atom to form CuO5 square pyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, and edges with two equivalent Cu(3)O5 square pyramids. There are five inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(7) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(5), and one O(8) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(2), one O(6), and one O(9) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(10), one O(12), and one O(14) atom. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one O(11), one O(13), and one O(15) atom. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Cu(2), and one C(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Cu(2) and one C(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(3), and one C(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu(1) and one C(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu(1) and one C(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one Cu(1), and one C(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu(3) and one C(2) atom. In the ninth O site, O(9) is bonded to one Li(2), two equivalent Cu(3), and one C(3) atom to form distorted corner-sharing OLiCu2C tetrahedra. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Cu(1), and one C(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to two equivalent Cu(1) and one C(5) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to two equivalent Cu(2) and one C(4) atom. In the thirteenth O site, O(13) is bonded to one Li(2), two equivalent Cu(2), and one C(5) atom to form distorted corner-sharing OLiCu2C tetrahedra. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to two equivalent Cu(3) and one C(4) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to two equivalent Cu(3) and one C(5) atom. is represented by the CIF card [CIF]
data_LiCu3(CO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.177
_cell_length_b   8.059
_cell_length_c   8.073
_cell_angle_alpha   60.669
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   350.335
_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  0.000  0.969  0.651  1.0
  Li  Li1  1  0.500  0.655  0.382  1.0
  Cu  Cu2  1  0.745  0.296  0.687  1.0
  Cu  Cu3  1  0.255  0.296  0.687  1.0
  Cu  Cu4  1  0.249  0.660  0.023  1.0
  Cu  Cu5  1  0.751  0.660  0.023  1.0
  Cu  Cu6  1  0.749  0.041  0.283  1.0
  Cu  Cu7  1  0.251  0.041  0.283  1.0
  C  C8  1  0.750  0.671  0.663  1.0
  C  C9  1  0.250  0.671  0.663  1.0
  C  C10  1  0.000  0.010  0.993  1.0
  C  C11  1  0.500  0.991  0.002  1.0
  C  C12  1  0.000  0.332  0.333  1.0
  C  C13  1  0.500  0.330  0.346  1.0
  O  O14  1  0.000  0.893  0.924  1.0
  O  O15  1  0.500  0.873  0.937  1.0
  O  O16  1  0.246  0.569  0.844  1.0
  O  O17  1  0.754  0.569  0.844  1.0
  O  O18  1  0.765  0.855  0.580  1.0
  O  O19  1  0.235  0.855  0.580  1.0
  O  O20  1  0.000  0.194  0.879  1.0
  O  O21  1  0.500  0.173  0.893  1.0
  O  O22  1  0.733  0.586  0.562  1.0
  O  O23  1  0.267  0.586  0.562  1.0
  O  O24  1  0.000  0.942  0.176  1.0
  O  O25  1  0.500  0.926  0.189  1.0
  O  O26  1  0.000  0.261  0.517  1.0
  O  O27  1  0.500  0.258  0.529  1.0
  O  O28  1  0.000  0.513  0.219  1.0
  O  O29  1  0.500  0.514  0.237  1.0
  O  O30  1  0.000  0.215  0.265  1.0
  O  O31  1  0.500  0.220  0.271  1.0
[/CIF]
.