The crystal structure described by Co2ZnS5 crystallizes in the orthorhombic Pmmn space group. Co(1) is bonded to one S(1), one S(3), and three equivalent S(2) atoms to form a mixture of corner and edge-sharing CoS5 trigonal bipyramids. Zn(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), and four equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Co(1) and two equivalent Zn(1) atoms to form corner-sharing SZn2Co2 tetrahedra. In the second S site, S(2) is bonded in a 3-coordinate geometry to three equivalent Co(1) and one Zn(1) atom. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Co(1), two equivalent Zn(1), and one S(3) atom. is represented by the CIF card [CIF]
data_ZnCo2S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.511
_cell_length_b   6.279
_cell_length_c   13.296
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   293.155
_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
  Zn  Zn0  1  0.500  0.636  0.000  1.0
  Zn  Zn1  1  0.000  0.364  0.500  1.0
  Co  Co2  1  0.000  0.054  0.852  1.0
  Co  Co3  1  0.500  0.946  0.648  1.0
  Co  Co4  1  0.500  0.946  0.352  1.0
  Co  Co5  1  0.000  0.054  0.148  1.0
  S  S6  1  0.500  0.108  0.500  1.0
  S  S7  1  0.000  0.892  0.000  1.0
  S  S8  1  0.500  0.861  0.807  1.0
  S  S9  1  0.000  0.139  0.693  1.0
  S  S10  1  0.500  0.861  0.193  1.0
  S  S11  1  0.000  0.139  0.307  1.0
  S  S12  1  0.000  0.365  0.080  1.0
  S  S13  1  0.500  0.635  0.420  1.0
  S  S14  1  0.500  0.635  0.580  1.0
  S  S15  1  0.000  0.365  0.920  1.0
[/CIF]
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The crystal structure described by Co2ZnS5 crystallizes in the orthorhombic Pmmn space group. Co(1) is bonded to one S(1), one S(3), and three equivalent S(2) atoms to form a mixture of corner and edge-sharing CoS5 trigonal bipyramids. Zn(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), and four equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Co(1) and two equivalent Zn(1) atoms to form corner-sharing SZn2Co2 tetrahedra. In the second S site, S(2) is bonded in a 3-coordinate geometry to three equivalent Co(1) and one Zn(1) atom. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Co(1), two equivalent Zn(1), and one S(3) atom. is represented by the CIF card [CIF]
data_ZnCo2S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.511
_cell_length_b   6.279
_cell_length_c   13.296
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   293.155
_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
  Zn  Zn0  1  0.500  0.636  0.000  1.0
  Zn  Zn1  1  0.000  0.364  0.500  1.0
  Co  Co2  1  0.000  0.054  0.852  1.0
  Co  Co3  1  0.500  0.946  0.648  1.0
  Co  Co4  1  0.500  0.946  0.352  1.0
  Co  Co5  1  0.000  0.054  0.148  1.0
  S  S6  1  0.500  0.108  0.500  1.0
  S  S7  1  0.000  0.892  0.000  1.0
  S  S8  1  0.500  0.861  0.807  1.0
  S  S9  1  0.000  0.139  0.693  1.0
  S  S10  1  0.500  0.861  0.193  1.0
  S  S11  1  0.000  0.139  0.307  1.0
  S  S12  1  0.000  0.365  0.080  1.0
  S  S13  1  0.500  0.635  0.420  1.0
  S  S14  1  0.500  0.635  0.580  1.0
  S  S15  1  0.000  0.365  0.920  1.0
[/CIF]
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