The structure described by CoNb2S4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one S(2), two equivalent S(4), and three equivalent S(1) atoms to form distorted edge-sharing NbS6 octahedra. In the second Nb site, Nb(2) is bonded in a 7-coordinate geometry to one Co(1), one S(4), two equivalent S(2), and three equivalent S(3) atoms. Co(1) is bonded in a 6-coordinate geometry to one Nb(2), one S(4), two equivalent S(1), and two equivalent S(2) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to three equivalent Nb(1) and two equivalent Co(1) atoms. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Nb(1), two equivalent Nb(2), and two equivalent Co(1) atoms. In the third S site, S(3) is bonded in a distorted T-shaped geometry to three equivalent Nb(2) atoms. In the fourth S site, S(4) is bonded to one Nb(2), two equivalent Nb(1), and one Co(1) atom to form distorted corner-sharing SNb3Co tetrahedra. is represented by the CIF card [CIF]
data_Nb2CoS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.351
_cell_length_b   11.726
_cell_length_c   12.992
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   510.494
_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
  Nb  Nb0  1  0.750  0.434  0.926  1.0
  Nb  Nb1  1  0.750  0.934  0.574  1.0
  Nb  Nb2  1  0.250  0.566  0.074  1.0
  Nb  Nb3  1  0.250  0.066  0.426  1.0
  Nb  Nb4  1  0.750  0.458  0.401  1.0
  Nb  Nb5  1  0.750  0.958  0.099  1.0
  Nb  Nb6  1  0.250  0.542  0.599  1.0
  Nb  Nb7  1  0.250  0.042  0.901  1.0
  Co  Co8  1  0.750  0.333  0.236  1.0
  Co  Co9  1  0.750  0.833  0.264  1.0
  Co  Co10  1  0.250  0.667  0.764  1.0
  Co  Co11  1  0.250  0.167  0.736  1.0
  S  S12  1  0.750  0.142  0.549  1.0
  S  S13  1  0.750  0.642  0.951  1.0
  S  S14  1  0.250  0.858  0.451  1.0
  S  S15  1  0.250  0.358  0.049  1.0
  S  S16  1  0.750  0.209  0.845  1.0
  S  S17  1  0.750  0.709  0.655  1.0
  S  S18  1  0.250  0.791  0.155  1.0
  S  S19  1  0.250  0.291  0.345  1.0
  S  S20  1  0.750  0.392  0.578  1.0
  S  S21  1  0.750  0.892  0.922  1.0
  S  S22  1  0.250  0.608  0.422  1.0
  S  S23  1  0.250  0.108  0.078  1.0
  S  S24  1  0.750  0.525  0.214  1.0
  S  S25  1  0.750  0.025  0.286  1.0
  S  S26  1  0.250  0.475  0.786  1.0
  S  S27  1  0.250  0.975  0.714  1.0
[/CIF]
.
The structure described by CoNb2S4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one S(2), two equivalent S(4), and three equivalent S(1) atoms to form distorted edge-sharing NbS6 octahedra. In the second Nb site, Nb(2) is bonded in a 7-coordinate geometry to one Co(1), one S(4), two equivalent S(2), and three equivalent S(3) atoms. Co(1) is bonded in a 6-coordinate geometry to one Nb(2), one S(4), two equivalent S(1), and two equivalent S(2) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to three equivalent Nb(1) and two equivalent Co(1) atoms. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Nb(1), two equivalent Nb(2), and two equivalent Co(1) atoms. In the third S site, S(3) is bonded in a distorted T-shaped geometry to three equivalent Nb(2) atoms. In the fourth S site, S(4) is bonded to one Nb(2), two equivalent Nb(1), and one Co(1) atom to form distorted corner-sharing SNb3Co tetrahedra. is represented by the CIF card [CIF]
data_Nb2CoS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.351
_cell_length_b   11.726
_cell_length_c   12.992
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   510.494
_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
  Nb  Nb0  1  0.750  0.434  0.926  1.0
  Nb  Nb1  1  0.750  0.934  0.574  1.0
  Nb  Nb2  1  0.250  0.566  0.074  1.0
  Nb  Nb3  1  0.250  0.066  0.426  1.0
  Nb  Nb4  1  0.750  0.458  0.401  1.0
  Nb  Nb5  1  0.750  0.958  0.099  1.0
  Nb  Nb6  1  0.250  0.542  0.599  1.0
  Nb  Nb7  1  0.250  0.042  0.901  1.0
  Co  Co8  1  0.750  0.333  0.236  1.0
  Co  Co9  1  0.750  0.833  0.264  1.0
  Co  Co10  1  0.250  0.667  0.764  1.0
  Co  Co11  1  0.250  0.167  0.736  1.0
  S  S12  1  0.750  0.142  0.549  1.0
  S  S13  1  0.750  0.642  0.951  1.0
  S  S14  1  0.250  0.858  0.451  1.0
  S  S15  1  0.250  0.358  0.049  1.0
  S  S16  1  0.750  0.209  0.845  1.0
  S  S17  1  0.750  0.709  0.655  1.0
  S  S18  1  0.250  0.791  0.155  1.0
  S  S19  1  0.250  0.291  0.345  1.0
  S  S20  1  0.750  0.392  0.578  1.0
  S  S21  1  0.750  0.892  0.922  1.0
  S  S22  1  0.250  0.608  0.422  1.0
  S  S23  1  0.250  0.108  0.078  1.0
  S  S24  1  0.750  0.525  0.214  1.0
  S  S25  1  0.750  0.025  0.286  1.0
  S  S26  1  0.250  0.475  0.786  1.0
  S  S27  1  0.250  0.975  0.714  1.0
[/CIF]
.