The compound described by CoNiAs4 is Marcasite-derived structured and crystallizes in the monoclinic P2/m space group. Co(1) is bonded to two equivalent As(1) and four equivalent As(2) atoms to form CoAs6 octahedra that share corners with eight equivalent Ni(1)As6 octahedra, corners with two equivalent As(1)CoNi2As tetrahedra, corners with four equivalent As(2)Co2NiAs tetrahedra, and edges with two equivalent Co(1)As6 octahedra. The corner-sharing octahedral tilt angles are 56°. Ni(1) is bonded to two equivalent As(2) and four equivalent As(1) atoms to form NiAs6 octahedra that share corners with eight equivalent Co(1)As6 octahedra, corners with two equivalent As(2)Co2NiAs tetrahedra, corners with four equivalent As(1)CoNi2As tetrahedra, and edges with two equivalent Ni(1)As6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are two inequivalent As sites. In the first As site, As(1) is bonded to one Co(1), two equivalent Ni(1), and one As(1) atom to form distorted AsCoNi2As tetrahedra that share  a cornercorner with one Co(1)As6 octahedra, corners with two equivalent Ni(1)As6 octahedra, corners with five equivalent As(1)CoNi2As tetrahedra, corners with eight equivalent As(2)Co2NiAs tetrahedra, and  an edgeedge with one As(1)CoNi2As tetrahedra. The corner-sharing octahedral tilt angles are 74°. In the second As site, As(2) is bonded to two equivalent Co(1), one Ni(1), and one As(2) atom to form distorted AsCo2NiAs tetrahedra that share  a cornercorner with one Ni(1)As6 octahedra, corners with two equivalent Co(1)As6 octahedra, corners with five equivalent As(2)Co2NiAs tetrahedra, corners with eight equivalent As(1)CoNi2As tetrahedra, and  an edgeedge with one As(2)Co2NiAs tetrahedra. The corner-sharing octahedral tilt angles range from 73-77°. is represented by the CIF card [CIF]
data_CoNiAs4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.346
_cell_length_b   4.954
_cell_length_c   5.858
_cell_angle_alpha   89.927
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   97.121
_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  0.500  0.500  0.500  1.0
  Ni  Ni1  1  0.000  0.000  0.000  1.0
  As  As2  1  0.500  0.692  0.138  1.0
  As  As3  1  0.500  0.308  0.862  1.0
  As  As4  1  0.000  0.199  0.369  1.0
  As  As5  1  0.000  0.801  0.631  1.0
[/CIF]
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The compound described by CoNiAs4 is Marcasite-derived structured and crystallizes in the monoclinic P2/m space group. Co(1) is bonded to two equivalent As(1) and four equivalent As(2) atoms to form CoAs6 octahedra that share corners with eight equivalent Ni(1)As6 octahedra, corners with two equivalent As(1)CoNi2As tetrahedra, corners with four equivalent As(2)Co2NiAs tetrahedra, and edges with two equivalent Co(1)As6 octahedra. The corner-sharing octahedral tilt angles are 56°. Ni(1) is bonded to two equivalent As(2) and four equivalent As(1) atoms to form NiAs6 octahedra that share corners with eight equivalent Co(1)As6 octahedra, corners with two equivalent As(2)Co2NiAs tetrahedra, corners with four equivalent As(1)CoNi2As tetrahedra, and edges with two equivalent Ni(1)As6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are two inequivalent As sites. In the first As site, As(1) is bonded to one Co(1), two equivalent Ni(1), and one As(1) atom to form distorted AsCoNi2As tetrahedra that share  a cornercorner with one Co(1)As6 octahedra, corners with two equivalent Ni(1)As6 octahedra, corners with five equivalent As(1)CoNi2As tetrahedra, corners with eight equivalent As(2)Co2NiAs tetrahedra, and  an edgeedge with one As(1)CoNi2As tetrahedra. The corner-sharing octahedral tilt angles are 74°. In the second As site, As(2) is bonded to two equivalent Co(1), one Ni(1), and one As(2) atom to form distorted AsCo2NiAs tetrahedra that share  a cornercorner with one Ni(1)As6 octahedra, corners with two equivalent Co(1)As6 octahedra, corners with five equivalent As(2)Co2NiAs tetrahedra, corners with eight equivalent As(1)CoNi2As tetrahedra, and  an edgeedge with one As(2)Co2NiAs tetrahedra. The corner-sharing octahedral tilt angles range from 73-77°. is represented by the CIF card [CIF]
data_CoNiAs4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.346
_cell_length_b   4.954
_cell_length_c   5.858
_cell_angle_alpha   89.927
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   97.121
_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  0.500  0.500  0.500  1.0
  Ni  Ni1  1  0.000  0.000  0.000  1.0
  As  As2  1  0.500  0.692  0.138  1.0
  As  As3  1  0.500  0.308  0.862  1.0
  As  As4  1  0.000  0.199  0.369  1.0
  As  As5  1  0.000  0.801  0.631  1.0
[/CIF]
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