The material structure described by CoNi(AsS)2 is Spinel-derived structured and crystallizes in the monoclinic P2_1 space group. Co(1) is bonded to one As(1), two equivalent As(2), one S(1), and two equivalent S(2) atoms to form CoAs3S3 octahedra that share corners with four equivalent Co(1)As3S3 octahedra, corners with eight equivalent Ni(1)As3S3 octahedra,  a cornercorner with one As(1)CoNi2S tetrahedra,  a cornercorner with one S(1)CoNi2As tetrahedra, corners with two equivalent As(2)Co2NiS tetrahedra, and corners with two equivalent S(2)Co2NiAs tetrahedra. The corner-sharing octahedral tilt angles range from 62-65°. Ni(1) is bonded to one As(2), two equivalent As(1), one S(2), and two equivalent S(1) atoms to form NiAs3S3 octahedra that share corners with four equivalent Ni(1)As3S3 octahedra, corners with eight equivalent Co(1)As3S3 octahedra,  a cornercorner with one As(2)Co2NiS tetrahedra,  a cornercorner with one S(2)Co2NiAs tetrahedra, corners with two equivalent As(1)CoNi2S tetrahedra, and corners with two equivalent S(1)CoNi2As tetrahedra. The corner-sharing octahedral tilt angles range from 63-65°. 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 S(1) atom to form AsCoNi2S tetrahedra that share  a cornercorner with one Co(1)As3S3 octahedra, corners with two equivalent Ni(1)As3S3 octahedra, corners with two equivalent As(1)CoNi2S tetrahedra, corners with four equivalent As(2)Co2NiS tetrahedra, corners with four equivalent S(2)Co2NiAs tetrahedra, and corners with five equivalent S(1)CoNi2As tetrahedra. The corner-sharing octahedral tilt angles range from 77-80°. In the second As site, As(2) is bonded to two equivalent Co(1), one Ni(1), and one S(2) atom to form AsCo2NiS tetrahedra that share  a cornercorner with one Ni(1)As3S3 octahedra, corners with two equivalent Co(1)As3S3 octahedra, corners with two equivalent As(2)Co2NiS tetrahedra, corners with four equivalent As(1)CoNi2S tetrahedra, corners with four equivalent S(1)CoNi2As tetrahedra, and corners with five equivalent S(2)Co2NiAs tetrahedra. The corner-sharing octahedral tilt angles range from 78-81°. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Co(1), two equivalent Ni(1), and one As(1) atom to form SCoNi2As tetrahedra that share  a cornercorner with one Co(1)As3S3 octahedra, corners with two equivalent Ni(1)As3S3 octahedra, corners with two equivalent S(1)CoNi2As tetrahedra, corners with four equivalent As(2)Co2NiS tetrahedra, corners with four equivalent S(2)Co2NiAs tetrahedra, and corners with five equivalent As(1)CoNi2S tetrahedra. The corner-sharing octahedral tilt angles range from 77-80°. In the second S site, S(2) is bonded to two equivalent Co(1), one Ni(1), and one As(2) atom to form SCo2NiAs tetrahedra that share  a cornercorner with one Ni(1)As3S3 octahedra, corners with two equivalent Co(1)As3S3 octahedra, corners with two equivalent S(2)Co2NiAs tetrahedra, corners with four equivalent As(1)CoNi2S tetrahedra, corners with four equivalent S(1)CoNi2As tetrahedra, and corners with five equivalent As(2)Co2NiS tetrahedra. The corner-sharing octahedral tilt angles range from 78-81°. is represented by the CIF file [CIF]
data_CoNi(AsS)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.633
_cell_length_b   5.623
_cell_length_c   5.629
_cell_angle_alpha   89.847
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   178.275
_cell_formula_units_Z   2
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  0.492  0.506  0.742  1.0
  Co  Co1  1  0.992  0.494  0.258  1.0
  Ni  Ni2  1  0.508  0.992  0.242  1.0
  Ni  Ni3  1  0.008  0.008  0.758  1.0
  As  As4  1  0.119  0.874  0.369  1.0
  As  As5  1  0.619  0.126  0.631  1.0
  As  As6  1  0.876  0.616  0.874  1.0
  As  As7  1  0.376  0.384  0.126  1.0
  S  S8  1  0.885  0.122  0.136  1.0
  S  S9  1  0.385  0.878  0.864  1.0
  S  S10  1  0.120  0.388  0.630  1.0
  S  S11  1  0.620  0.612  0.370  1.0
[/CIF]
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The material structure described by CoNi(AsS)2 is Spinel-derived structured and crystallizes in the monoclinic P2_1 space group. Co(1) is bonded to one As(1), two equivalent As(2), one S(1), and two equivalent S(2) atoms to form CoAs3S3 octahedra that share corners with four equivalent Co(1)As3S3 octahedra, corners with eight equivalent Ni(1)As3S3 octahedra,  a cornercorner with one As(1)CoNi2S tetrahedra,  a cornercorner with one S(1)CoNi2As tetrahedra, corners with two equivalent As(2)Co2NiS tetrahedra, and corners with two equivalent S(2)Co2NiAs tetrahedra. The corner-sharing octahedral tilt angles range from 62-65°. Ni(1) is bonded to one As(2), two equivalent As(1), one S(2), and two equivalent S(1) atoms to form NiAs3S3 octahedra that share corners with four equivalent Ni(1)As3S3 octahedra, corners with eight equivalent Co(1)As3S3 octahedra,  a cornercorner with one As(2)Co2NiS tetrahedra,  a cornercorner with one S(2)Co2NiAs tetrahedra, corners with two equivalent As(1)CoNi2S tetrahedra, and corners with two equivalent S(1)CoNi2As tetrahedra. The corner-sharing octahedral tilt angles range from 63-65°. 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 S(1) atom to form AsCoNi2S tetrahedra that share  a cornercorner with one Co(1)As3S3 octahedra, corners with two equivalent Ni(1)As3S3 octahedra, corners with two equivalent As(1)CoNi2S tetrahedra, corners with four equivalent As(2)Co2NiS tetrahedra, corners with four equivalent S(2)Co2NiAs tetrahedra, and corners with five equivalent S(1)CoNi2As tetrahedra. The corner-sharing octahedral tilt angles range from 77-80°. In the second As site, As(2) is bonded to two equivalent Co(1), one Ni(1), and one S(2) atom to form AsCo2NiS tetrahedra that share  a cornercorner with one Ni(1)As3S3 octahedra, corners with two equivalent Co(1)As3S3 octahedra, corners with two equivalent As(2)Co2NiS tetrahedra, corners with four equivalent As(1)CoNi2S tetrahedra, corners with four equivalent S(1)CoNi2As tetrahedra, and corners with five equivalent S(2)Co2NiAs tetrahedra. The corner-sharing octahedral tilt angles range from 78-81°. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Co(1), two equivalent Ni(1), and one As(1) atom to form SCoNi2As tetrahedra that share  a cornercorner with one Co(1)As3S3 octahedra, corners with two equivalent Ni(1)As3S3 octahedra, corners with two equivalent S(1)CoNi2As tetrahedra, corners with four equivalent As(2)Co2NiS tetrahedra, corners with four equivalent S(2)Co2NiAs tetrahedra, and corners with five equivalent As(1)CoNi2S tetrahedra. The corner-sharing octahedral tilt angles range from 77-80°. In the second S site, S(2) is bonded to two equivalent Co(1), one Ni(1), and one As(2) atom to form SCo2NiAs tetrahedra that share  a cornercorner with one Ni(1)As3S3 octahedra, corners with two equivalent Co(1)As3S3 octahedra, corners with two equivalent S(2)Co2NiAs tetrahedra, corners with four equivalent As(1)CoNi2S tetrahedra, corners with four equivalent S(1)CoNi2As tetrahedra, and corners with five equivalent As(2)Co2NiS tetrahedra. The corner-sharing octahedral tilt angles range from 78-81°. is represented by the CIF file [CIF]
data_CoNi(AsS)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.633
_cell_length_b   5.623
_cell_length_c   5.629
_cell_angle_alpha   89.847
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   178.275
_cell_formula_units_Z   2
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  0.492  0.506  0.742  1.0
  Co  Co1  1  0.992  0.494  0.258  1.0
  Ni  Ni2  1  0.508  0.992  0.242  1.0
  Ni  Ni3  1  0.008  0.008  0.758  1.0
  As  As4  1  0.119  0.874  0.369  1.0
  As  As5  1  0.619  0.126  0.631  1.0
  As  As6  1  0.876  0.616  0.874  1.0
  As  As7  1  0.376  0.384  0.126  1.0
  S  S8  1  0.885  0.122  0.136  1.0
  S  S9  1  0.385  0.878  0.864  1.0
  S  S10  1  0.120  0.388  0.630  1.0
  S  S11  1  0.620  0.612  0.370  1.0
[/CIF]
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