The compound described by Cu4As crystallizes in the cubic P2_13 space group. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to nine Cu(2,2,2) and three equivalent As(1) atoms. In the second Cu site, Cu(2) is bonded in a 12-coordinate geometry to three equivalent Cu(1); six Cu(2,2,2); and three equivalent As(1) atoms. In the third Cu site, Cu(2) is bonded in a 12-coordinate geometry to three equivalent Cu(1); six Cu(2,2); and three equivalent As(1) atoms. In the fourth Cu site, Cu(2) is bonded in a 12-coordinate geometry to three equivalent Cu(1); six Cu(2,2,2); and three equivalent As(1) atoms. As(1) is bonded to three equivalent Cu(1) and nine Cu(2,2,2) atoms to form a mixture of distorted corner and face-sharing AsCu12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu4As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.396
_cell_length_b   6.396
_cell_length_c   6.396
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   261.679
_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
  Cu  Cu0  1  0.810  0.310  0.190  1.0
  Cu  Cu1  1  0.310  0.190  0.810  1.0
  Cu  Cu2  1  0.190  0.810  0.310  1.0
  Cu  Cu3  1  0.690  0.690  0.690  1.0
  Cu  Cu4  1  0.044  0.880  0.703  1.0
  Cu  Cu5  1  0.297  0.544  0.620  1.0
  Cu  Cu6  1  0.380  0.797  0.956  1.0
  Cu  Cu7  1  0.544  0.620  0.297  1.0
  Cu  Cu8  1  0.797  0.956  0.380  1.0
  Cu  Cu9  1  0.880  0.703  0.044  1.0
  Cu  Cu10  1  0.956  0.380  0.797  1.0
  Cu  Cu11  1  0.703  0.044  0.880  1.0
  Cu  Cu12  1  0.620  0.297  0.544  1.0
  Cu  Cu13  1  0.456  0.120  0.203  1.0
  Cu  Cu14  1  0.203  0.456  0.120  1.0
  Cu  Cu15  1  0.120  0.203  0.456  1.0
  As  As16  1  0.440  0.940  0.560  1.0
  As  As17  1  0.940  0.560  0.440  1.0
  As  As18  1  0.560  0.440  0.940  1.0
  As  As19  1  0.060  0.060  0.060  1.0
[/CIF]
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The compound described by Cu4As crystallizes in the cubic P2_13 space group. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to nine Cu(2,2,2) and three equivalent As(1) atoms. In the second Cu site, Cu(2) is bonded in a 12-coordinate geometry to three equivalent Cu(1); six Cu(2,2,2); and three equivalent As(1) atoms. In the third Cu site, Cu(2) is bonded in a 12-coordinate geometry to three equivalent Cu(1); six Cu(2,2); and three equivalent As(1) atoms. In the fourth Cu site, Cu(2) is bonded in a 12-coordinate geometry to three equivalent Cu(1); six Cu(2,2,2); and three equivalent As(1) atoms. As(1) is bonded to three equivalent Cu(1) and nine Cu(2,2,2) atoms to form a mixture of distorted corner and face-sharing AsCu12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu4As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.396
_cell_length_b   6.396
_cell_length_c   6.396
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   261.679
_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
  Cu  Cu0  1  0.810  0.310  0.190  1.0
  Cu  Cu1  1  0.310  0.190  0.810  1.0
  Cu  Cu2  1  0.190  0.810  0.310  1.0
  Cu  Cu3  1  0.690  0.690  0.690  1.0
  Cu  Cu4  1  0.044  0.880  0.703  1.0
  Cu  Cu5  1  0.297  0.544  0.620  1.0
  Cu  Cu6  1  0.380  0.797  0.956  1.0
  Cu  Cu7  1  0.544  0.620  0.297  1.0
  Cu  Cu8  1  0.797  0.956  0.380  1.0
  Cu  Cu9  1  0.880  0.703  0.044  1.0
  Cu  Cu10  1  0.956  0.380  0.797  1.0
  Cu  Cu11  1  0.703  0.044  0.880  1.0
  Cu  Cu12  1  0.620  0.297  0.544  1.0
  Cu  Cu13  1  0.456  0.120  0.203  1.0
  Cu  Cu14  1  0.203  0.456  0.120  1.0
  Cu  Cu15  1  0.120  0.203  0.456  1.0
  As  As16  1  0.440  0.940  0.560  1.0
  As  As17  1  0.940  0.560  0.440  1.0
  As  As18  1  0.560  0.440  0.940  1.0
  As  As19  1  0.060  0.060  0.060  1.0
[/CIF]
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