The material described by LiCuC2O5 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to two equivalent O(4) and two equivalent O(5) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one C(1) atom. In the second O site, O(2) is bonded in a 2-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 trigonal planar geometry to one Li(1), one Cu(1), and one C(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(2), and one C(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Cu(2), one C(1), and one C(2) atom. is represented by the CIF card [CIF]
data_LiCuC2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.304
_cell_length_b   7.304
_cell_length_c   10.044
_cell_angle_alpha   68.755
_cell_angle_beta   68.755
_cell_angle_gamma   89.810
_symmetry_Int_Tables_number   1
_cell_volume   460.355
_cell_formula_units_Z   4
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  0.958  0.657  0.143  1.0
  Li  Li1  1  0.657  0.958  0.643  1.0
  Li  Li2  1  0.343  0.042  0.357  1.0
  Li  Li3  1  0.042  0.343  0.857  1.0
  Cu  Cu4  1  0.830  0.170  0.250  1.0
  Cu  Cu5  1  0.380  0.620  0.250  1.0
  Cu  Cu6  1  0.620  0.380  0.750  1.0
  Cu  Cu7  1  0.170  0.830  0.750  1.0
  C  C8  1  0.766  0.774  0.398  1.0
  C  C9  1  0.741  0.399  0.465  1.0
  C  C10  1  0.774  0.766  0.898  1.0
  C  C11  1  0.399  0.741  0.965  1.0
  C  C12  1  0.601  0.259  0.035  1.0
  C  C13  1  0.226  0.234  0.102  1.0
  C  C14  1  0.259  0.601  0.535  1.0
  C  C15  1  0.234  0.226  0.602  1.0
  O  O16  1  0.712  0.891  0.466  1.0
  O  O17  1  0.852  0.815  0.258  1.0
  O  O18  1  0.891  0.712  0.966  1.0
  O  O19  1  0.816  0.414  0.328  1.0
  O  O20  1  0.325  0.753  0.410  1.0
  O  O21  1  0.815  0.852  0.758  1.0
  O  O22  1  0.570  0.717  0.005  1.0
  O  O23  1  0.283  0.430  0.495  1.0
  O  O24  1  0.414  0.816  0.828  1.0
  O  O25  1  0.753  0.325  0.910  1.0
  O  O26  1  0.247  0.675  0.090  1.0
  O  O27  1  0.586  0.184  0.172  1.0
  O  O28  1  0.717  0.570  0.505  1.0
  O  O29  1  0.430  0.283  0.995  1.0
  O  O30  1  0.185  0.148  0.242  1.0
  O  O31  1  0.675  0.247  0.590  1.0
  O  O32  1  0.184  0.586  0.672  1.0
  O  O33  1  0.109  0.288  0.034  1.0
  O  O34  1  0.148  0.185  0.742  1.0
  O  O35  1  0.288  0.109  0.534  1.0
[/CIF]
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The material described by LiCuC2O5 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to two equivalent O(4) and two equivalent O(5) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one C(1) atom. In the second O site, O(2) is bonded in a 2-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 trigonal planar geometry to one Li(1), one Cu(1), and one C(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(2), and one C(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Cu(2), one C(1), and one C(2) atom. is represented by the CIF card [CIF]
data_LiCuC2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.304
_cell_length_b   7.304
_cell_length_c   10.044
_cell_angle_alpha   68.755
_cell_angle_beta   68.755
_cell_angle_gamma   89.810
_symmetry_Int_Tables_number   1
_cell_volume   460.355
_cell_formula_units_Z   4
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  0.958  0.657  0.143  1.0
  Li  Li1  1  0.657  0.958  0.643  1.0
  Li  Li2  1  0.343  0.042  0.357  1.0
  Li  Li3  1  0.042  0.343  0.857  1.0
  Cu  Cu4  1  0.830  0.170  0.250  1.0
  Cu  Cu5  1  0.380  0.620  0.250  1.0
  Cu  Cu6  1  0.620  0.380  0.750  1.0
  Cu  Cu7  1  0.170  0.830  0.750  1.0
  C  C8  1  0.766  0.774  0.398  1.0
  C  C9  1  0.741  0.399  0.465  1.0
  C  C10  1  0.774  0.766  0.898  1.0
  C  C11  1  0.399  0.741  0.965  1.0
  C  C12  1  0.601  0.259  0.035  1.0
  C  C13  1  0.226  0.234  0.102  1.0
  C  C14  1  0.259  0.601  0.535  1.0
  C  C15  1  0.234  0.226  0.602  1.0
  O  O16  1  0.712  0.891  0.466  1.0
  O  O17  1  0.852  0.815  0.258  1.0
  O  O18  1  0.891  0.712  0.966  1.0
  O  O19  1  0.816  0.414  0.328  1.0
  O  O20  1  0.325  0.753  0.410  1.0
  O  O21  1  0.815  0.852  0.758  1.0
  O  O22  1  0.570  0.717  0.005  1.0
  O  O23  1  0.283  0.430  0.495  1.0
  O  O24  1  0.414  0.816  0.828  1.0
  O  O25  1  0.753  0.325  0.910  1.0
  O  O26  1  0.247  0.675  0.090  1.0
  O  O27  1  0.586  0.184  0.172  1.0
  O  O28  1  0.717  0.570  0.505  1.0
  O  O29  1  0.430  0.283  0.995  1.0
  O  O30  1  0.185  0.148  0.242  1.0
  O  O31  1  0.675  0.247  0.590  1.0
  O  O32  1  0.184  0.586  0.672  1.0
  O  O33  1  0.109  0.288  0.034  1.0
  O  O34  1  0.148  0.185  0.742  1.0
  O  O35  1  0.288  0.109  0.534  1.0
[/CIF]
.