The crystal structure described by Ca(Cu2As)2 crystallizes in the trigonal R-3m space group. Ca(1) is bonded to six equivalent As(1) atoms to form distorted edge-sharing CaAs6 octahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted single-bond geometry to four equivalent As(1) atoms. In the second Cu site, Cu(2) is bonded in a 3-coordinate geometry to three equivalent As(1) atoms. As(1) is bonded in a 10-coordinate geometry to three equivalent Ca(1), three equivalent Cu(2), and four equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_Ca(Cu2As)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.919
_cell_length_b   7.919
_cell_length_c   7.919
_cell_angle_alpha   30.152
_cell_angle_beta   30.152
_cell_angle_gamma   30.152
_symmetry_Int_Tables_number   1
_cell_volume   111.014
_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
  Ca  Ca0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.145  0.145  0.145  1.0
  Cu  Cu2  1  0.561  0.561  0.561  1.0
  Cu  Cu3  1  0.855  0.855  0.855  1.0
  Cu  Cu4  1  0.439  0.439  0.439  1.0
  As  As5  1  0.252  0.252  0.252  1.0
  As  As6  1  0.748  0.748  0.748  1.0
[/CIF]
.
The crystal structure described by Ca(Cu2As)2 crystallizes in the trigonal R-3m space group. Ca(1) is bonded to six equivalent As(1) atoms to form distorted edge-sharing CaAs6 octahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted single-bond geometry to four equivalent As(1) atoms. In the second Cu site, Cu(2) is bonded in a 3-coordinate geometry to three equivalent As(1) atoms. As(1) is bonded in a 10-coordinate geometry to three equivalent Ca(1), three equivalent Cu(2), and four equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_Ca(Cu2As)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.919
_cell_length_b   7.919
_cell_length_c   7.919
_cell_angle_alpha   30.152
_cell_angle_beta   30.152
_cell_angle_gamma   30.152
_symmetry_Int_Tables_number   1
_cell_volume   111.014
_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
  Ca  Ca0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.145  0.145  0.145  1.0
  Cu  Cu2  1  0.561  0.561  0.561  1.0
  Cu  Cu3  1  0.855  0.855  0.855  1.0
  Cu  Cu4  1  0.439  0.439  0.439  1.0
  As  As5  1  0.252  0.252  0.252  1.0
  As  As6  1  0.748  0.748  0.748  1.0
[/CIF]
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