The compound described by KCu3(AsO5)2 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 10-coordinate geometry to two equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(4) and four equivalent O(3) atoms to form CuO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra and edges with four equivalent Cu(2)O6 octahedra. In the second Cu site, Cu(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted CuO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. As(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form AsO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra and corners with four equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one K(1), two equivalent Cu(2), and one As(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to two equivalent K(1) and one As(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one K(1), one Cu(1), one Cu(2), and one As(1) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Cu(1) and two equivalent Cu(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KCu3(AsO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.865
_cell_length_b   5.865
_cell_length_c   8.242
_cell_angle_alpha   66.567
_cell_angle_beta   66.567
_cell_angle_gamma   61.419
_symmetry_Int_Tables_number   1
_cell_volume   220.752
_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
  K  K0  1  0.000  0.000  0.500  1.0
  Cu  Cu1  1  0.000  0.000  0.000  1.0
  Cu  Cu2  1  0.000  0.500  0.000  1.0
  Cu  Cu3  1  0.500  0.000  0.000  1.0
  As  As4  1  0.567  0.567  0.738  1.0
  As  As5  1  0.433  0.433  0.262  1.0
  O  O6  1  0.714  0.714  0.785  1.0
  O  O7  1  0.286  0.286  0.215  1.0
  O  O8  1  0.622  0.622  0.510  1.0
  O  O9  1  0.378  0.378  0.490  1.0
  O  O10  1  0.703  0.215  0.839  1.0
  O  O11  1  0.215  0.703  0.839  1.0
  O  O12  1  0.297  0.785  0.161  1.0
  O  O13  1  0.785  0.297  0.161  1.0
  O  O14  1  0.209  0.209  0.901  1.0
  O  O15  1  0.791  0.791  0.099  1.0
[/CIF]
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The compound described by KCu3(AsO5)2 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 10-coordinate geometry to two equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(4) and four equivalent O(3) atoms to form CuO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra and edges with four equivalent Cu(2)O6 octahedra. In the second Cu site, Cu(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted CuO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. As(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form AsO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra and corners with four equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one K(1), two equivalent Cu(2), and one As(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to two equivalent K(1) and one As(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one K(1), one Cu(1), one Cu(2), and one As(1) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Cu(1) and two equivalent Cu(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KCu3(AsO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.865
_cell_length_b   5.865
_cell_length_c   8.242
_cell_angle_alpha   66.567
_cell_angle_beta   66.567
_cell_angle_gamma   61.419
_symmetry_Int_Tables_number   1
_cell_volume   220.752
_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
  K  K0  1  0.000  0.000  0.500  1.0
  Cu  Cu1  1  0.000  0.000  0.000  1.0
  Cu  Cu2  1  0.000  0.500  0.000  1.0
  Cu  Cu3  1  0.500  0.000  0.000  1.0
  As  As4  1  0.567  0.567  0.738  1.0
  As  As5  1  0.433  0.433  0.262  1.0
  O  O6  1  0.714  0.714  0.785  1.0
  O  O7  1  0.286  0.286  0.215  1.0
  O  O8  1  0.622  0.622  0.510  1.0
  O  O9  1  0.378  0.378  0.490  1.0
  O  O10  1  0.703  0.215  0.839  1.0
  O  O11  1  0.215  0.703  0.839  1.0
  O  O12  1  0.297  0.785  0.161  1.0
  O  O13  1  0.785  0.297  0.161  1.0
  O  O14  1  0.209  0.209  0.901  1.0
  O  O15  1  0.791  0.791  0.099  1.0
[/CIF]
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