The crystal structure described by CoAs2 is Marcasite-like structured and crystallizes in the monoclinic P2_1/c space group. Co(1) is bonded to three equivalent As(1) and three equivalent As(2) atoms to form a mixture of corner and edge-sharing CoAs6 octahedra. The corner-sharing octahedral tilt angles range from 52-58°. There are two inequivalent As sites. In the first As site, As(2) is bonded in a 4-coordinate geometry to three equivalent Co(1) and one As(1) atom. In the second As site, As(1) is bonded in a 3-coordinate geometry to three equivalent Co(1) and one As(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CoAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.845
_cell_length_b   5.884
_cell_length_c   5.935
_cell_angle_alpha   115.792
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   183.768
_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
  Co  Co0  1  0.999  0.729  0.716  1.0
  Co  Co1  1  0.499  0.271  0.784  1.0
  Co  Co2  1  0.001  0.271  0.284  1.0
  Co  Co3  1  0.501  0.729  0.216  1.0
  As  As4  1  0.634  0.657  0.826  1.0
  As  As5  1  0.134  0.343  0.674  1.0
  As  As6  1  0.366  0.343  0.174  1.0
  As  As7  1  0.866  0.657  0.326  1.0
  As  As8  1  0.367  0.846  0.633  1.0
  As  As9  1  0.867  0.154  0.867  1.0
  As  As10  1  0.633  0.154  0.367  1.0
  As  As11  1  0.133  0.846  0.133  1.0
[/CIF]
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The crystal structure described by CoAs2 is Marcasite-like structured and crystallizes in the monoclinic P2_1/c space group. Co(1) is bonded to three equivalent As(1) and three equivalent As(2) atoms to form a mixture of corner and edge-sharing CoAs6 octahedra. The corner-sharing octahedral tilt angles range from 52-58°. There are two inequivalent As sites. In the first As site, As(2) is bonded in a 4-coordinate geometry to three equivalent Co(1) and one As(1) atom. In the second As site, As(1) is bonded in a 3-coordinate geometry to three equivalent Co(1) and one As(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CoAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.845
_cell_length_b   5.884
_cell_length_c   5.935
_cell_angle_alpha   115.792
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   183.768
_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
  Co  Co0  1  0.999  0.729  0.716  1.0
  Co  Co1  1  0.499  0.271  0.784  1.0
  Co  Co2  1  0.001  0.271  0.284  1.0
  Co  Co3  1  0.501  0.729  0.216  1.0
  As  As4  1  0.634  0.657  0.826  1.0
  As  As5  1  0.134  0.343  0.674  1.0
  As  As6  1  0.366  0.343  0.174  1.0
  As  As7  1  0.866  0.657  0.326  1.0
  As  As8  1  0.367  0.846  0.633  1.0
  As  As9  1  0.867  0.154  0.867  1.0
  As  As10  1  0.633  0.154  0.367  1.0
  As  As11  1  0.133  0.846  0.133  1.0
[/CIF]
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