The crystal structure described by CuAs2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. Cu(1) is bonded to six equivalent As(1) atoms to form CuAs6 octahedra that share corners with eight equivalent Cu(1)As6 octahedra, corners with six equivalent As(1)Cu3As tetrahedra, and edges with two equivalent Cu(1)As6 octahedra. The corner-sharing octahedral tilt angles are 60°. As(1) is bonded to three equivalent Cu(1) and one As(1) atom to form distorted AsCu3As tetrahedra that share corners with three equivalent Cu(1)As6 octahedra, corners with thirteen equivalent As(1)Cu3As tetrahedra, and  an edgeedge with one As(1)Cu3As tetrahedra. The corner-sharing octahedral tilt angles range from 74-77°. is represented by the CIF file [CIF]
data_CuAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.821
_cell_length_b   4.806
_cell_length_c   5.961
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   109.450
_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
  Cu  Cu0  1  0.500  0.500  0.500  1.0
  Cu  Cu1  1  0.000  0.000  0.000  1.0
  As  As2  1  0.500  0.294  0.875  1.0
  As  As3  1  0.500  0.706  0.125  1.0
  As  As4  1  0.000  0.794  0.625  1.0
  As  As5  1  0.000  0.206  0.375  1.0
[/CIF]
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The crystal structure described by CuAs2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. Cu(1) is bonded to six equivalent As(1) atoms to form CuAs6 octahedra that share corners with eight equivalent Cu(1)As6 octahedra, corners with six equivalent As(1)Cu3As tetrahedra, and edges with two equivalent Cu(1)As6 octahedra. The corner-sharing octahedral tilt angles are 60°. As(1) is bonded to three equivalent Cu(1) and one As(1) atom to form distorted AsCu3As tetrahedra that share corners with three equivalent Cu(1)As6 octahedra, corners with thirteen equivalent As(1)Cu3As tetrahedra, and  an edgeedge with one As(1)Cu3As tetrahedra. The corner-sharing octahedral tilt angles range from 74-77°. is represented by the CIF file [CIF]
data_CuAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.821
_cell_length_b   4.806
_cell_length_c   5.961
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   109.450
_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
  Cu  Cu0  1  0.500  0.500  0.500  1.0
  Cu  Cu1  1  0.000  0.000  0.000  1.0
  As  As2  1  0.500  0.294  0.875  1.0
  As  As3  1  0.500  0.706  0.125  1.0
  As  As4  1  0.000  0.794  0.625  1.0
  As  As5  1  0.000  0.206  0.375  1.0
[/CIF]
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