The material described by Li2CuCAsO7 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. Cu(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. As(1) is bonded in a tetrahedral geometry to one O(5), one O(6), and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one C(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Cu(1), and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Li(1), one Cu(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one Cu(1), and one As(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Cu(1), and one As(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cu(1) and one As(1) atom. is represented by the CIF file [CIF]
data_Li2CuAsCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.343
_cell_length_b   5.306
_cell_length_c   8.702
_cell_angle_alpha   85.725
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   292.043
_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  0.490  0.790  0.772  1.0
  Li  Li1  1  0.010  0.790  0.772  1.0
  Li  Li2  1  0.510  0.210  0.228  1.0
  Li  Li3  1  0.990  0.210  0.228  1.0
  Cu  Cu4  1  0.250  0.223  0.656  1.0
  Cu  Cu5  1  0.750  0.777  0.344  1.0
  As  As6  1  0.750  0.302  0.565  1.0
  As  As7  1  0.250  0.698  0.435  1.0
  C  C8  1  0.250  0.294  0.950  1.0
  C  C9  1  0.750  0.706  0.050  1.0
  O  O10  1  0.750  0.752  0.904  1.0
  O  O11  1  0.250  0.092  0.866  1.0
  O  O12  1  0.250  0.511  0.878  1.0
  O  O13  1  0.955  0.185  0.680  1.0
  O  O14  1  0.545  0.185  0.680  1.0
  O  O15  1  0.250  0.799  0.615  1.0
  O  O16  1  0.750  0.634  0.552  1.0
  O  O17  1  0.250  0.366  0.448  1.0
  O  O18  1  0.750  0.201  0.385  1.0
  O  O19  1  0.455  0.815  0.320  1.0
  O  O20  1  0.045  0.815  0.320  1.0
  O  O21  1  0.750  0.489  0.122  1.0
  O  O22  1  0.750  0.908  0.134  1.0
  O  O23  1  0.250  0.248  0.096  1.0
[/CIF]
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The material described by Li2CuCAsO7 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. Cu(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. As(1) is bonded in a tetrahedral geometry to one O(5), one O(6), and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one C(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Cu(1), and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Li(1), one Cu(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one Cu(1), and one As(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Cu(1), and one As(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cu(1) and one As(1) atom. is represented by the CIF file [CIF]
data_Li2CuAsCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.343
_cell_length_b   5.306
_cell_length_c   8.702
_cell_angle_alpha   85.725
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   292.043
_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  0.490  0.790  0.772  1.0
  Li  Li1  1  0.010  0.790  0.772  1.0
  Li  Li2  1  0.510  0.210  0.228  1.0
  Li  Li3  1  0.990  0.210  0.228  1.0
  Cu  Cu4  1  0.250  0.223  0.656  1.0
  Cu  Cu5  1  0.750  0.777  0.344  1.0
  As  As6  1  0.750  0.302  0.565  1.0
  As  As7  1  0.250  0.698  0.435  1.0
  C  C8  1  0.250  0.294  0.950  1.0
  C  C9  1  0.750  0.706  0.050  1.0
  O  O10  1  0.750  0.752  0.904  1.0
  O  O11  1  0.250  0.092  0.866  1.0
  O  O12  1  0.250  0.511  0.878  1.0
  O  O13  1  0.955  0.185  0.680  1.0
  O  O14  1  0.545  0.185  0.680  1.0
  O  O15  1  0.250  0.799  0.615  1.0
  O  O16  1  0.750  0.634  0.552  1.0
  O  O17  1  0.250  0.366  0.448  1.0
  O  O18  1  0.750  0.201  0.385  1.0
  O  O19  1  0.455  0.815  0.320  1.0
  O  O20  1  0.045  0.815  0.320  1.0
  O  O21  1  0.750  0.489  0.122  1.0
  O  O22  1  0.750  0.908  0.134  1.0
  O  O23  1  0.250  0.248  0.096  1.0
[/CIF]
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