The material structure described by Sr3Co2O5Cl2 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 9-coordinate geometry to four equivalent O(1) and five equivalent Cl(1) atoms. In the second Sr site, Sr(2) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, and faces with eight equivalent Co(1)ClO5 square pyramids. Co(1) is bonded to one O(2), four equivalent O(1), and one Cl(1) atom to form distorted CoClO5 square pyramids that share corners with five equivalent Co(1)ClO5 square pyramids and faces with four equivalent Sr(2)O12 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Co(1) atoms to form a mixture of distorted edge, corner, and face-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(2) and two equivalent Co(1) atoms. Cl(1) is bonded in a 6-coordinate geometry to five equivalent Sr(1) and one Co(1) atom. is represented by the CIF card [CIF]
data_Sr3Co2Cl2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.961
_cell_length_b   3.961
_cell_length_c   12.397
_cell_angle_alpha   99.193
_cell_angle_beta   99.193
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   189.498
_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
  Sr  Sr0  1  0.153  0.153  0.306  1.0
  Sr  Sr1  1  0.847  0.847  0.694  1.0
  Sr  Sr2  1  0.000  0.000  0.000  1.0
  Co  Co3  1  0.423  0.423  0.847  1.0
  Co  Co4  1  0.577  0.577  0.153  1.0
  Cl  Cl5  1  0.701  0.701  0.402  1.0
  Cl  Cl6  1  0.299  0.299  0.598  1.0
  O  O7  1  0.086  0.586  0.173  1.0
  O  O8  1  0.914  0.414  0.827  1.0
  O  O9  1  0.586  0.086  0.173  1.0
  O  O10  1  0.500  0.500  0.000  1.0
  O  O11  1  0.414  0.914  0.827  1.0
[/CIF]
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The material structure described by Sr3Co2O5Cl2 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 9-coordinate geometry to four equivalent O(1) and five equivalent Cl(1) atoms. In the second Sr site, Sr(2) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, and faces with eight equivalent Co(1)ClO5 square pyramids. Co(1) is bonded to one O(2), four equivalent O(1), and one Cl(1) atom to form distorted CoClO5 square pyramids that share corners with five equivalent Co(1)ClO5 square pyramids and faces with four equivalent Sr(2)O12 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Co(1) atoms to form a mixture of distorted edge, corner, and face-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(2) and two equivalent Co(1) atoms. Cl(1) is bonded in a 6-coordinate geometry to five equivalent Sr(1) and one Co(1) atom. is represented by the CIF card [CIF]
data_Sr3Co2Cl2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.961
_cell_length_b   3.961
_cell_length_c   12.397
_cell_angle_alpha   99.193
_cell_angle_beta   99.193
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   189.498
_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
  Sr  Sr0  1  0.153  0.153  0.306  1.0
  Sr  Sr1  1  0.847  0.847  0.694  1.0
  Sr  Sr2  1  0.000  0.000  0.000  1.0
  Co  Co3  1  0.423  0.423  0.847  1.0
  Co  Co4  1  0.577  0.577  0.153  1.0
  Cl  Cl5  1  0.701  0.701  0.402  1.0
  Cl  Cl6  1  0.299  0.299  0.598  1.0
  O  O7  1  0.086  0.586  0.173  1.0
  O  O8  1  0.914  0.414  0.827  1.0
  O  O9  1  0.586  0.086  0.173  1.0
  O  O10  1  0.500  0.500  0.000  1.0
  O  O11  1  0.414  0.914  0.827  1.0
[/CIF]
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