The material structure described by CoSO4 crystallizes in the orthorhombic Pnma space group. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra and edges with two equivalent Co(1)O6 octahedra. S(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form SO4 tetrahedra that share corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-53°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Co(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one S(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Co(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CoSO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.731
_cell_length_b   6.649
_cell_length_c   8.585
_cell_angle_alpha   89.999
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   270.063
_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  0.500  0.000  0.500  1.0
  Co  Co1  1  0.000  0.000  0.000  1.0
  Co  Co2  1  0.000  0.500  0.000  1.0
  Co  Co3  1  0.500  0.500  0.500  1.0
  S  S4  1  0.976  0.750  0.321  1.0
  S  S5  1  0.524  0.750  0.821  1.0
  S  S6  1  0.024  0.250  0.679  1.0
  S  S7  1  0.476  0.250  0.179  1.0
  O  O8  1  0.774  0.250  0.125  1.0
  O  O9  1  0.838  0.566  0.375  1.0
  O  O10  1  0.959  0.750  0.147  1.0
  O  O11  1  0.838  0.934  0.375  1.0
  O  O12  1  0.226  0.750  0.875  1.0
  O  O13  1  0.274  0.750  0.375  1.0
  O  O14  1  0.338  0.066  0.125  1.0
  O  O15  1  0.162  0.066  0.625  1.0
  O  O16  1  0.541  0.750  0.647  1.0
  O  O17  1  0.662  0.566  0.875  1.0
  O  O18  1  0.726  0.250  0.625  1.0
  O  O19  1  0.338  0.434  0.125  1.0
  O  O20  1  0.162  0.434  0.625  1.0
  O  O21  1  0.459  0.250  0.353  1.0
  O  O22  1  0.662  0.934  0.875  1.0
  O  O23  1  0.041  0.250  0.853  1.0
[/CIF]
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The material structure described by CoSO4 crystallizes in the orthorhombic Pnma space group. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra and edges with two equivalent Co(1)O6 octahedra. S(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form SO4 tetrahedra that share corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-53°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Co(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one S(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Co(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CoSO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.731
_cell_length_b   6.649
_cell_length_c   8.585
_cell_angle_alpha   89.999
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   270.063
_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  0.500  0.000  0.500  1.0
  Co  Co1  1  0.000  0.000  0.000  1.0
  Co  Co2  1  0.000  0.500  0.000  1.0
  Co  Co3  1  0.500  0.500  0.500  1.0
  S  S4  1  0.976  0.750  0.321  1.0
  S  S5  1  0.524  0.750  0.821  1.0
  S  S6  1  0.024  0.250  0.679  1.0
  S  S7  1  0.476  0.250  0.179  1.0
  O  O8  1  0.774  0.250  0.125  1.0
  O  O9  1  0.838  0.566  0.375  1.0
  O  O10  1  0.959  0.750  0.147  1.0
  O  O11  1  0.838  0.934  0.375  1.0
  O  O12  1  0.226  0.750  0.875  1.0
  O  O13  1  0.274  0.750  0.375  1.0
  O  O14  1  0.338  0.066  0.125  1.0
  O  O15  1  0.162  0.066  0.625  1.0
  O  O16  1  0.541  0.750  0.647  1.0
  O  O17  1  0.662  0.566  0.875  1.0
  O  O18  1  0.726  0.250  0.625  1.0
  O  O19  1  0.338  0.434  0.125  1.0
  O  O20  1  0.162  0.434  0.625  1.0
  O  O21  1  0.459  0.250  0.353  1.0
  O  O22  1  0.662  0.934  0.875  1.0
  O  O23  1  0.041  0.250  0.853  1.0
[/CIF]
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