The material structure described by Cu5(AsO6)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CuO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with two equivalent Cu(3)O6 octahedra. In the second Cu site, Cu(2) is bonded to one O(1), one O(2), one O(5), one O(6), and two equivalent O(4) atoms to form distorted CuO6 octahedra that share corners with three equivalent As(1)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra,  an edgeedge with one Cu(2)O6 octahedra, and edges with three equivalent Cu(3)O6 octahedra. In the third Cu site, Cu(3) is bonded to one O(1), one O(3), one O(4), one O(6), and two equivalent O(5) atoms to form distorted CuO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra,  an edgeedge with one Cu(3)O6 octahedra, and edges with three equivalent Cu(2)O6 octahedra. As(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form AsO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with three equivalent Cu(2)O6 octahedra, and corners with four equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-59°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Cu(1), one Cu(2), and one Cu(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one As(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(3), and one As(1) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Cu(3) and two equivalent Cu(2) atoms. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Cu(2), two equivalent Cu(3), and one As(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(3), and one As(1) atom. is represented by the CIF file [CIF]
data_Cu5(AsO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.038
_cell_length_b   5.972
_cell_length_c   7.037
_cell_angle_alpha   97.796
_cell_angle_beta   111.011
_cell_angle_gamma   106.263
_symmetry_Int_Tables_number   1
_cell_volume   219.362
_cell_formula_units_Z   1
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
  Cu  Cu0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.003  0.675  0.658  1.0
  Cu  Cu2  1  0.997  0.325  0.342  1.0
  Cu  Cu3  1  0.501  0.669  0.682  1.0
  Cu  Cu4  1  0.499  0.331  0.318  1.0
  As  As5  1  0.536  0.816  0.188  1.0
  As  As6  1  0.464  0.184  0.812  1.0
  O  O7  1  0.171  0.313  0.175  1.0
  O  O8  1  0.829  0.687  0.825  1.0
  O  O9  1  0.164  0.010  0.784  1.0
  O  O10  1  0.836  0.990  0.216  1.0
  O  O11  1  0.381  0.995  0.253  1.0
  O  O12  1  0.619  0.005  0.747  1.0
  O  O13  1  0.180  0.646  0.498  1.0
  O  O14  1  0.820  0.354  0.502  1.0
  O  O15  1  0.605  0.666  0.382  1.0
  O  O16  1  0.395  0.334  0.618  1.0
  O  O17  1  0.642  0.349  0.060  1.0
  O  O18  1  0.358  0.651  0.940  1.0
[/CIF]
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The material structure described by Cu5(AsO6)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CuO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with two equivalent Cu(3)O6 octahedra. In the second Cu site, Cu(2) is bonded to one O(1), one O(2), one O(5), one O(6), and two equivalent O(4) atoms to form distorted CuO6 octahedra that share corners with three equivalent As(1)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra,  an edgeedge with one Cu(2)O6 octahedra, and edges with three equivalent Cu(3)O6 octahedra. In the third Cu site, Cu(3) is bonded to one O(1), one O(3), one O(4), one O(6), and two equivalent O(5) atoms to form distorted CuO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra,  an edgeedge with one Cu(3)O6 octahedra, and edges with three equivalent Cu(2)O6 octahedra. As(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form AsO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with three equivalent Cu(2)O6 octahedra, and corners with four equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-59°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Cu(1), one Cu(2), and one Cu(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one As(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(3), and one As(1) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Cu(3) and two equivalent Cu(2) atoms. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Cu(2), two equivalent Cu(3), and one As(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(3), and one As(1) atom. is represented by the CIF file [CIF]
data_Cu5(AsO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.038
_cell_length_b   5.972
_cell_length_c   7.037
_cell_angle_alpha   97.796
_cell_angle_beta   111.011
_cell_angle_gamma   106.263
_symmetry_Int_Tables_number   1
_cell_volume   219.362
_cell_formula_units_Z   1
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
  Cu  Cu0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.003  0.675  0.658  1.0
  Cu  Cu2  1  0.997  0.325  0.342  1.0
  Cu  Cu3  1  0.501  0.669  0.682  1.0
  Cu  Cu4  1  0.499  0.331  0.318  1.0
  As  As5  1  0.536  0.816  0.188  1.0
  As  As6  1  0.464  0.184  0.812  1.0
  O  O7  1  0.171  0.313  0.175  1.0
  O  O8  1  0.829  0.687  0.825  1.0
  O  O9  1  0.164  0.010  0.784  1.0
  O  O10  1  0.836  0.990  0.216  1.0
  O  O11  1  0.381  0.995  0.253  1.0
  O  O12  1  0.619  0.005  0.747  1.0
  O  O13  1  0.180  0.646  0.498  1.0
  O  O14  1  0.820  0.354  0.502  1.0
  O  O15  1  0.605  0.666  0.382  1.0
  O  O16  1  0.395  0.334  0.618  1.0
  O  O17  1  0.642  0.349  0.060  1.0
  O  O18  1  0.358  0.651  0.940  1.0
[/CIF]
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