The material structure described by Sr3Co2(O2Cl)2 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to four equivalent O(1) and five equivalent Cl(1) atoms. Co(1) is bonded to four equivalent O(1) and one Cl(1) atom to form distorted corner-sharing CoClO4 square pyramids. O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Co(1) atoms to form a mixture of edge, corner, and face-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. Cl(1) is bonded in a 6-coordinate geometry to five equivalent Sr(2) and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3Co2(ClO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.062
_cell_length_b   4.062
_cell_length_c   11.626
_cell_angle_alpha   100.044
_cell_angle_beta   100.046
_cell_angle_gamma   90.002
_symmetry_Int_Tables_number   1
_cell_volume   185.910
_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
  Cl  Cl0  1  0.300  0.300  0.601  1.0
  Cl  Cl1  1  0.700  0.700  0.399  1.0
  Co  Co2  1  0.420  0.420  0.839  1.0
  Co  Co3  1  0.580  0.580  0.161  1.0
  O  O4  1  0.077  0.577  0.155  1.0
  O  O5  1  0.577  0.077  0.155  1.0
  O  O6  1  0.923  0.423  0.845  1.0
  O  O7  1  0.423  0.923  0.845  1.0
  Sr  Sr8  1  1.000  1.000  0.000  1.0
  Sr  Sr9  1  0.149  0.149  0.298  1.0
  Sr  Sr10  1  0.851  0.851  0.702  1.0
[/CIF]
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The material structure described by Sr3Co2(O2Cl)2 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to four equivalent O(1) and five equivalent Cl(1) atoms. Co(1) is bonded to four equivalent O(1) and one Cl(1) atom to form distorted corner-sharing CoClO4 square pyramids. O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Co(1) atoms to form a mixture of edge, corner, and face-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. Cl(1) is bonded in a 6-coordinate geometry to five equivalent Sr(2) and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3Co2(ClO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.062
_cell_length_b   4.062
_cell_length_c   11.626
_cell_angle_alpha   100.044
_cell_angle_beta   100.046
_cell_angle_gamma   90.002
_symmetry_Int_Tables_number   1
_cell_volume   185.910
_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
  Cl  Cl0  1  0.300  0.300  0.601  1.0
  Cl  Cl1  1  0.700  0.700  0.399  1.0
  Co  Co2  1  0.420  0.420  0.839  1.0
  Co  Co3  1  0.580  0.580  0.161  1.0
  O  O4  1  0.077  0.577  0.155  1.0
  O  O5  1  0.577  0.077  0.155  1.0
  O  O6  1  0.923  0.423  0.845  1.0
  O  O7  1  0.423  0.923  0.845  1.0
  Sr  Sr8  1  1.000  1.000  0.000  1.0
  Sr  Sr9  1  0.149  0.149  0.298  1.0
  Sr  Sr10  1  0.851  0.851  0.702  1.0
[/CIF]
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