The material structure described by Co2As crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 14-coordinate geometry to two equivalent Co(1), six equivalent Co(2), and six equivalent As(1) atoms. In the second Co site, Co(2) is bonded in a trigonal planar geometry to six equivalent Co(1) and three equivalent As(1) atoms. As(1) is bonded in a 3-coordinate geometry to three equivalent Co(2) and six equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.916
_cell_length_b   3.916
_cell_length_c   2.760
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   36.653
_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
  Co  Co0  1  0.667  0.333  0.000  1.0
  Co  Co1  1  0.333  0.667  0.500  1.0
  As  As2  1  0.000  0.000  0.500  1.0
[/CIF]
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The material structure described by Co2As crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 14-coordinate geometry to two equivalent Co(1), six equivalent Co(2), and six equivalent As(1) atoms. In the second Co site, Co(2) is bonded in a trigonal planar geometry to six equivalent Co(1) and three equivalent As(1) atoms. As(1) is bonded in a 3-coordinate geometry to three equivalent Co(2) and six equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.916
_cell_length_b   3.916
_cell_length_c   2.760
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   36.653
_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
  Co  Co0  1  0.667  0.333  0.000  1.0
  Co  Co1  1  0.333  0.667  0.500  1.0
  As  As2  1  0.000  0.000  0.500  1.0
[/CIF]
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