The crystal structure described by Ba(Cu2As)2 crystallizes in the trigonal R-3m space group. Ba(1) is bonded in a 6-coordinate geometry to six equivalent As(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to three equivalent As(1) atoms. In the second Cu site, Cu(2) is bonded in a 1-coordinate geometry to four equivalent As(1) atoms. As(1) is bonded in a 10-coordinate geometry to three equivalent Ba(1), three equivalent Cu(1), and four equivalent Cu(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba(Cu2As)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.228
_cell_length_b   4.228
_cell_length_c   8.604
_cell_angle_alpha   75.778
_cell_angle_beta   75.778
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   127.718
_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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.443  0.443  0.670  1.0
  Cu  Cu2  1  0.144  0.144  0.567  1.0
  Cu  Cu3  1  0.557  0.557  0.330  1.0
  Cu  Cu4  1  0.856  0.856  0.433  1.0
  As  As5  1  0.244  0.244  0.269  1.0
  As  As6  1  0.756  0.756  0.731  1.0
[/CIF]
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The crystal structure described by Ba(Cu2As)2 crystallizes in the trigonal R-3m space group. Ba(1) is bonded in a 6-coordinate geometry to six equivalent As(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to three equivalent As(1) atoms. In the second Cu site, Cu(2) is bonded in a 1-coordinate geometry to four equivalent As(1) atoms. As(1) is bonded in a 10-coordinate geometry to three equivalent Ba(1), three equivalent Cu(1), and four equivalent Cu(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba(Cu2As)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.228
_cell_length_b   4.228
_cell_length_c   8.604
_cell_angle_alpha   75.778
_cell_angle_beta   75.778
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   127.718
_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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.443  0.443  0.670  1.0
  Cu  Cu2  1  0.144  0.144  0.567  1.0
  Cu  Cu3  1  0.557  0.557  0.330  1.0
  Cu  Cu4  1  0.856  0.856  0.433  1.0
  As  As5  1  0.244  0.244  0.269  1.0
  As  As6  1  0.756  0.756  0.731  1.0
[/CIF]
.