The material described by Sr2CoSe2(O3Cl)2 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent Cl(1) atoms. Co(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(3), and two equivalent Cl(1) atoms. Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), one Co(1), and one Se(1) atom to form distorted corner-sharing OSr2CoSe tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Sr(1) and one Se(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Co(1), and one Se(1) atom. Cl(1) is bonded in a 3-coordinate geometry to two equivalent Sr(1) and one Co(1) atom. is represented by the CIF file [CIF]
data_Sr2CoSe2(ClO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.425
_cell_length_b   6.512
_cell_length_c   12.553
_cell_angle_alpha   90.000
_cell_angle_beta   92.891
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   442.812
_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
  Cl  Cl0  1  0.454  0.826  0.894  1.0
  Cl  Cl1  1  0.954  0.674  0.394  1.0
  Cl  Cl2  1  0.546  0.174  0.106  1.0
  Cl  Cl3  1  0.046  0.326  0.606  1.0
  Co  Co4  1  0.000  0.000  0.500  1.0
  Co  Co5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.255  0.376  0.879  1.0
  O  O7  1  0.745  0.624  0.121  1.0
  O  O8  1  0.245  0.876  0.621  1.0
  O  O9  1  0.755  0.124  0.379  1.0
  O  O10  1  0.441  0.428  0.322  1.0
  O  O11  1  0.559  0.572  0.678  1.0
  O  O12  1  0.941  0.072  0.822  1.0
  O  O13  1  0.059  0.928  0.178  1.0
  O  O14  1  0.723  0.923  0.606  1.0
  O  O15  1  0.777  0.423  0.894  1.0
  O  O16  1  0.277  0.077  0.394  1.0
  O  O17  1  0.223  0.577  0.106  1.0
  Se  Se18  1  0.995  0.763  0.075  1.0
  Se  Se19  1  0.495  0.737  0.575  1.0
  Se  Se20  1  0.505  0.263  0.425  1.0
  Se  Se21  1  0.005  0.237  0.925  1.0
  Sr  Sr22  1  0.013  0.299  0.234  1.0
  Sr  Sr23  1  0.987  0.701  0.766  1.0
  Sr  Sr24  1  0.487  0.799  0.266  1.0
  Sr  Sr25  1  0.513  0.201  0.734  1.0
[/CIF]
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The material described by Sr2CoSe2(O3Cl)2 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent Cl(1) atoms. Co(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(3), and two equivalent Cl(1) atoms. Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), one Co(1), and one Se(1) atom to form distorted corner-sharing OSr2CoSe tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Sr(1) and one Se(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Co(1), and one Se(1) atom. Cl(1) is bonded in a 3-coordinate geometry to two equivalent Sr(1) and one Co(1) atom. is represented by the CIF file [CIF]
data_Sr2CoSe2(ClO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.425
_cell_length_b   6.512
_cell_length_c   12.553
_cell_angle_alpha   90.000
_cell_angle_beta   92.891
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   442.812
_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
  Cl  Cl0  1  0.454  0.826  0.894  1.0
  Cl  Cl1  1  0.954  0.674  0.394  1.0
  Cl  Cl2  1  0.546  0.174  0.106  1.0
  Cl  Cl3  1  0.046  0.326  0.606  1.0
  Co  Co4  1  0.000  0.000  0.500  1.0
  Co  Co5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.255  0.376  0.879  1.0
  O  O7  1  0.745  0.624  0.121  1.0
  O  O8  1  0.245  0.876  0.621  1.0
  O  O9  1  0.755  0.124  0.379  1.0
  O  O10  1  0.441  0.428  0.322  1.0
  O  O11  1  0.559  0.572  0.678  1.0
  O  O12  1  0.941  0.072  0.822  1.0
  O  O13  1  0.059  0.928  0.178  1.0
  O  O14  1  0.723  0.923  0.606  1.0
  O  O15  1  0.777  0.423  0.894  1.0
  O  O16  1  0.277  0.077  0.394  1.0
  O  O17  1  0.223  0.577  0.106  1.0
  Se  Se18  1  0.995  0.763  0.075  1.0
  Se  Se19  1  0.495  0.737  0.575  1.0
  Se  Se20  1  0.505  0.263  0.425  1.0
  Se  Se21  1  0.005  0.237  0.925  1.0
  Sr  Sr22  1  0.013  0.299  0.234  1.0
  Sr  Sr23  1  0.987  0.701  0.766  1.0
  Sr  Sr24  1  0.487  0.799  0.266  1.0
  Sr  Sr25  1  0.513  0.201  0.734  1.0
[/CIF]
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