The structure described by Co3C2(SeO5)2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 52-66°. In the second Co site, Co(2) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form a mixture of edge and corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 52-66°. C(1) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(3) atom. Se(1) is bonded in a trigonal non-coplanar geometry to one O(2) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Co(2) and one C(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Co(2) and one Se(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Se(1) atom. is represented by the CIF file [CIF]
data_Co3C2(SeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.711
_cell_length_b   5.712
_cell_length_c   7.834
_cell_angle_alpha   98.300
_cell_angle_beta   110.287
_cell_angle_gamma   109.033
_symmetry_Int_Tables_number   1
_cell_volume   216.817
_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
  C  C0  1  0.893  0.543  0.436  1.0
  C  C1  1  0.107  0.457  0.564  1.0
  Co  Co2  1  0.500  0.500  0.000  1.0
  Co  Co3  1  0.011  0.808  0.819  1.0
  Co  Co4  1  0.989  0.192  0.181  1.0
  O  O5  1  0.178  0.304  0.481  1.0
  O  O6  1  0.822  0.696  0.519  1.0
  O  O7  1  0.820  0.059  0.879  1.0
  O  O8  1  0.180  0.941  0.121  1.0
  O  O9  1  0.192  0.551  0.743  1.0
  O  O10  1  0.808  0.449  0.257  1.0
  O  O11  1  0.270  0.506  0.152  1.0
  O  O12  1  0.354  0.117  0.847  1.0
  O  O13  1  0.646  0.883  0.153  1.0
  O  O14  1  0.730  0.494  0.848  1.0
  Se  Se15  1  0.417  0.841  0.258  1.0
  Se  Se16  1  0.583  0.159  0.742  1.0
[/CIF]
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The structure described by Co3C2(SeO5)2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 52-66°. In the second Co site, Co(2) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form a mixture of edge and corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 52-66°. C(1) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(3) atom. Se(1) is bonded in a trigonal non-coplanar geometry to one O(2) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Co(2) and one C(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Co(2) and one Se(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Se(1) atom. is represented by the CIF file [CIF]
data_Co3C2(SeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.711
_cell_length_b   5.712
_cell_length_c   7.834
_cell_angle_alpha   98.300
_cell_angle_beta   110.287
_cell_angle_gamma   109.033
_symmetry_Int_Tables_number   1
_cell_volume   216.817
_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
  C  C0  1  0.893  0.543  0.436  1.0
  C  C1  1  0.107  0.457  0.564  1.0
  Co  Co2  1  0.500  0.500  0.000  1.0
  Co  Co3  1  0.011  0.808  0.819  1.0
  Co  Co4  1  0.989  0.192  0.181  1.0
  O  O5  1  0.178  0.304  0.481  1.0
  O  O6  1  0.822  0.696  0.519  1.0
  O  O7  1  0.820  0.059  0.879  1.0
  O  O8  1  0.180  0.941  0.121  1.0
  O  O9  1  0.192  0.551  0.743  1.0
  O  O10  1  0.808  0.449  0.257  1.0
  O  O11  1  0.270  0.506  0.152  1.0
  O  O12  1  0.354  0.117  0.847  1.0
  O  O13  1  0.646  0.883  0.153  1.0
  O  O14  1  0.730  0.494  0.848  1.0
  Se  Se15  1  0.417  0.841  0.258  1.0
  Se  Se16  1  0.583  0.159  0.742  1.0
[/CIF]
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