The structure described by Sr2NiSe2(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 three equivalent Cl(1) atoms. Ni(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), 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 Ni(1), and one Se(1) atom to form distorted corner-sharing OSr2NiSe tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Ni(1), and one Se(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Sr(1) and one Se(1) atom. Cl(1) is bonded in a 4-coordinate geometry to three equivalent Sr(1) and one Ni(1) atom. is represented by the CIF card [CIF]
data_Sr2NiSe2(ClO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.343
_cell_length_b   6.470
_cell_length_c   12.161
_cell_angle_alpha   89.997
_cell_angle_beta   92.795
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   419.914
_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  0.459  0.821  0.897  1.0
  Cl  Cl1  1  0.541  0.179  0.103  1.0
  Cl  Cl2  1  0.041  0.321  0.603  1.0
  Cl  Cl3  1  0.959  0.679  0.397  1.0
  Ni  Ni4  1  0.500  0.500  0.000  1.0
  Ni  Ni5  1  1.000  0.000  0.500  1.0
  O  O6  1  0.256  0.376  0.880  1.0
  O  O7  1  0.744  0.624  0.120  1.0
  O  O8  1  0.756  0.124  0.380  1.0
  O  O9  1  0.244  0.876  0.620  1.0
  O  O10  1  0.277  0.077  0.395  1.0
  O  O11  1  0.777  0.423  0.895  1.0
  O  O12  1  0.223  0.577  0.105  1.0
  O  O13  1  0.723  0.923  0.605  1.0
  O  O14  1  0.944  0.072  0.825  1.0
  O  O15  1  0.556  0.572  0.675  1.0
  O  O16  1  0.444  0.428  0.325  1.0
  O  O17  1  0.056  0.928  0.175  1.0
  Se  Se18  1  0.506  0.260  0.429  1.0
  Se  Se19  1  0.006  0.240  0.929  1.0
  Se  Se20  1  0.994  0.760  0.071  1.0
  Se  Se21  1  0.494  0.740  0.571  1.0
  Sr  Sr22  1  0.484  0.799  0.267  1.0
  Sr  Sr23  1  0.516  0.201  0.733  1.0
  Sr  Sr24  1  0.016  0.299  0.233  1.0
  Sr  Sr25  1  0.984  0.701  0.767  1.0
[/CIF]
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The structure described by Sr2NiSe2(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 three equivalent Cl(1) atoms. Ni(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), 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 Ni(1), and one Se(1) atom to form distorted corner-sharing OSr2NiSe tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Ni(1), and one Se(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Sr(1) and one Se(1) atom. Cl(1) is bonded in a 4-coordinate geometry to three equivalent Sr(1) and one Ni(1) atom. is represented by the CIF card [CIF]
data_Sr2NiSe2(ClO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.343
_cell_length_b   6.470
_cell_length_c   12.161
_cell_angle_alpha   89.997
_cell_angle_beta   92.795
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   419.914
_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  0.459  0.821  0.897  1.0
  Cl  Cl1  1  0.541  0.179  0.103  1.0
  Cl  Cl2  1  0.041  0.321  0.603  1.0
  Cl  Cl3  1  0.959  0.679  0.397  1.0
  Ni  Ni4  1  0.500  0.500  0.000  1.0
  Ni  Ni5  1  1.000  0.000  0.500  1.0
  O  O6  1  0.256  0.376  0.880  1.0
  O  O7  1  0.744  0.624  0.120  1.0
  O  O8  1  0.756  0.124  0.380  1.0
  O  O9  1  0.244  0.876  0.620  1.0
  O  O10  1  0.277  0.077  0.395  1.0
  O  O11  1  0.777  0.423  0.895  1.0
  O  O12  1  0.223  0.577  0.105  1.0
  O  O13  1  0.723  0.923  0.605  1.0
  O  O14  1  0.944  0.072  0.825  1.0
  O  O15  1  0.556  0.572  0.675  1.0
  O  O16  1  0.444  0.428  0.325  1.0
  O  O17  1  0.056  0.928  0.175  1.0
  Se  Se18  1  0.506  0.260  0.429  1.0
  Se  Se19  1  0.006  0.240  0.929  1.0
  Se  Se20  1  0.994  0.760  0.071  1.0
  Se  Se21  1  0.494  0.740  0.571  1.0
  Sr  Sr22  1  0.484  0.799  0.267  1.0
  Sr  Sr23  1  0.516  0.201  0.733  1.0
  Sr  Sr24  1  0.016  0.299  0.233  1.0
  Sr  Sr25  1  0.984  0.701  0.767  1.0
[/CIF]
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