The material structure described by LiCu2(CO3)3 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(4), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(13), one O(14), one O(18), one O(2), one O(3), and one O(8) atom. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(12), one O(16), one O(3), and one O(6) atom to form corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded to one O(16), one O(17), one O(2), one O(5), and one O(7) atom to form distorted corner-sharing CuO5 square pyramids. In the third Cu site, Cu(3) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(13), one O(14), one O(15), one O(4), and one O(8) atom. In the fourth Cu site, Cu(4) is bonded to one O(12), one O(15), one O(18), one O(5), and one O(9) atom to form corner-sharing CuO5 square pyramids. There are six inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(10), and one O(2) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(11), one O(3), and one O(9) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(5), one O(6), and one O(8) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(12), one O(13), and one O(7) atom. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one O(14), one O(15), and one O(16) atom. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one O(17), one O(18), and one O(4) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(2), one Cu(2), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Cu(1), and one C(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Li(1), one Cu(3), and one C(6) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Cu(2), one Cu(4), and one C(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(3) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(1), one Cu(2), and one C(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Cu(3), and one C(3) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Cu(4) and one C(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Cu(3) and one C(1) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Cu(3) and one C(2) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Cu(1), one Cu(4), and one C(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(2), one Cu(3), and one C(4) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Li(2), one Cu(3), and one C(5) atom. In the fifteenth O site, O(15) is bonded in a 2-coordinate geometry to one Cu(3), one Cu(4), and one C(5) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Cu(1), one Cu(2), and one C(5) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(6) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Li(2), one Cu(4), and one C(6) atom. is represented by the CIF card [CIF]
data_LiCu2(CO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.764
_cell_length_b   7.750
_cell_length_c   7.599
_cell_angle_alpha   111.188
_cell_angle_beta   108.976
_cell_angle_gamma   108.728
_symmetry_Int_Tables_number   1
_cell_volume   349.778
_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  0.254  0.521  0.720  1.0
  Li  Li1  1  0.838  0.844  0.837  1.0
  Cu  Cu2  1  0.018  0.560  0.147  1.0
  Cu  Cu3  1  0.161  0.025  0.560  1.0
  Cu  Cu4  1  0.472  0.431  0.437  1.0
  Cu  Cu5  1  0.566  0.158  0.019  1.0
  C  C6  1  0.155  0.280  0.971  1.0
  C  C7  1  0.270  0.957  0.138  1.0
  C  C8  1  0.386  0.798  0.572  1.0
  C  C9  1  0.578  0.401  0.806  1.0
  C  C10  1  0.806  0.594  0.403  1.0
  C  C11  1  0.955  0.159  0.286  1.0
  O  O12  1  0.068  0.389  0.929  1.0
  O  O13  1  0.068  0.082  0.832  1.0
  O  O14  1  0.079  0.810  0.042  1.0
  O  O15  1  0.093  0.355  0.391  1.0
  O  O16  1  0.383  0.968  0.698  1.0
  O  O17  1  0.314  0.735  0.371  1.0
  O  O18  1  0.382  0.336  0.749  1.0
  O  O19  1  0.466  0.711  0.663  1.0
  O  O20  1  0.382  0.936  0.045  1.0
  O  O21  1  0.336  0.372  0.141  1.0
  O  O22  1  0.345  0.120  0.330  1.0
  O  O23  1  0.697  0.381  0.956  1.0
  O  O24  1  0.664  0.491  0.723  1.0
  O  O25  1  0.739  0.694  0.511  1.0
  O  O26  1  0.726  0.392  0.322  1.0
  O  O27  1  0.961  0.701  0.382  1.0
  O  O28  1  0.940  0.051  0.383  1.0
  O  O29  1  0.820  0.060  0.082  1.0
[/CIF]
.
The material structure described by LiCu2(CO3)3 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(4), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(13), one O(14), one O(18), one O(2), one O(3), and one O(8) atom. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(12), one O(16), one O(3), and one O(6) atom to form corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded to one O(16), one O(17), one O(2), one O(5), and one O(7) atom to form distorted corner-sharing CuO5 square pyramids. In the third Cu site, Cu(3) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(13), one O(14), one O(15), one O(4), and one O(8) atom. In the fourth Cu site, Cu(4) is bonded to one O(12), one O(15), one O(18), one O(5), and one O(9) atom to form corner-sharing CuO5 square pyramids. There are six inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(10), and one O(2) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(11), one O(3), and one O(9) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(5), one O(6), and one O(8) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(12), one O(13), and one O(7) atom. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one O(14), one O(15), and one O(16) atom. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one O(17), one O(18), and one O(4) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(2), one Cu(2), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Cu(1), and one C(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Li(1), one Cu(3), and one C(6) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Cu(2), one Cu(4), and one C(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(3) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(1), one Cu(2), and one C(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Cu(3), and one C(3) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Cu(4) and one C(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Cu(3) and one C(1) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Cu(3) and one C(2) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Cu(1), one Cu(4), and one C(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(2), one Cu(3), and one C(4) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Li(2), one Cu(3), and one C(5) atom. In the fifteenth O site, O(15) is bonded in a 2-coordinate geometry to one Cu(3), one Cu(4), and one C(5) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Cu(1), one Cu(2), and one C(5) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(6) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Li(2), one Cu(4), and one C(6) atom. is represented by the CIF card [CIF]
data_LiCu2(CO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.764
_cell_length_b   7.750
_cell_length_c   7.599
_cell_angle_alpha   111.188
_cell_angle_beta   108.976
_cell_angle_gamma   108.728
_symmetry_Int_Tables_number   1
_cell_volume   349.778
_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  0.254  0.521  0.720  1.0
  Li  Li1  1  0.838  0.844  0.837  1.0
  Cu  Cu2  1  0.018  0.560  0.147  1.0
  Cu  Cu3  1  0.161  0.025  0.560  1.0
  Cu  Cu4  1  0.472  0.431  0.437  1.0
  Cu  Cu5  1  0.566  0.158  0.019  1.0
  C  C6  1  0.155  0.280  0.971  1.0
  C  C7  1  0.270  0.957  0.138  1.0
  C  C8  1  0.386  0.798  0.572  1.0
  C  C9  1  0.578  0.401  0.806  1.0
  C  C10  1  0.806  0.594  0.403  1.0
  C  C11  1  0.955  0.159  0.286  1.0
  O  O12  1  0.068  0.389  0.929  1.0
  O  O13  1  0.068  0.082  0.832  1.0
  O  O14  1  0.079  0.810  0.042  1.0
  O  O15  1  0.093  0.355  0.391  1.0
  O  O16  1  0.383  0.968  0.698  1.0
  O  O17  1  0.314  0.735  0.371  1.0
  O  O18  1  0.382  0.336  0.749  1.0
  O  O19  1  0.466  0.711  0.663  1.0
  O  O20  1  0.382  0.936  0.045  1.0
  O  O21  1  0.336  0.372  0.141  1.0
  O  O22  1  0.345  0.120  0.330  1.0
  O  O23  1  0.697  0.381  0.956  1.0
  O  O24  1  0.664  0.491  0.723  1.0
  O  O25  1  0.739  0.694  0.511  1.0
  O  O26  1  0.726  0.392  0.322  1.0
  O  O27  1  0.961  0.701  0.382  1.0
  O  O28  1  0.940  0.051  0.383  1.0
  O  O29  1  0.820  0.060  0.082  1.0
[/CIF]
.