The structure described by Sr2CoCuSO3 crystallizes in the tetragonal P4mm space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 4-coordinate geometry to four equivalent S(1) and four equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to four equivalent S(2) and four equivalent O(2) atoms. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(4), four equivalent O(1), and four equivalent O(3) atoms. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(3), four equivalent O(2), and four equivalent O(4) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3) and four equivalent O(1) atoms to form distorted corner-sharing CoO5 square pyramids. In the second Co site, Co(2) is bonded to one O(4) and four equivalent O(2) atoms to form corner-sharing CoO5 square pyramids. Cu(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form a mixture of corner and edge-sharing CuS4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 8-coordinate geometry to four equivalent Sr(1) and four equivalent Cu(1) atoms. In the second S site, S(2) is bonded in a 8-coordinate geometry to four equivalent Sr(2) and four equivalent Cu(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Co(1) atoms to form distorted OSr4Co2 octahedra that share corners with two equivalent O(1)Sr4Co2 octahedra, corners with two equivalent O(4)Sr5Co octahedra, corners with four equivalent O(3)Sr5Co octahedra, edges with two equivalent O(1)Sr4Co2 octahedra, faces with two equivalent O(3)Sr5Co octahedra, and faces with four equivalent O(1)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 26-57°. In the second O site, O(2) is bonded to two equivalent Sr(2), two equivalent Sr(4), and two equivalent Co(2) atoms to form distorted OSr4Co2 octahedra that share corners with two equivalent O(2)Sr4Co2 octahedra, corners with two equivalent O(3)Sr5Co octahedra, corners with four equivalent O(4)Sr5Co octahedra, edges with two equivalent O(2)Sr4Co2 octahedra, faces with two equivalent O(4)Sr5Co octahedra, and faces with four equivalent O(2)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 18-53°. In the third O site, O(3) is bonded to one Sr(4), four equivalent Sr(3), and one Co(1) atom to form distorted OSr5Co octahedra that share corners with four equivalent O(2)Sr4Co2 octahedra, corners with four equivalent O(3)Sr5Co octahedra, corners with eight equivalent O(1)Sr4Co2 octahedra, edges with four equivalent O(3)Sr5Co octahedra, edges with four equivalent O(4)Sr5Co octahedra, and faces with four equivalent O(1)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 10-57°. In the fourth O site, O(4) is bonded to one Sr(3), four equivalent Sr(4), and one Co(2) atom to form distorted OSr5Co octahedra that share corners with four equivalent O(1)Sr4Co2 octahedra, corners with four equivalent O(4)Sr5Co octahedra, corners with eight equivalent O(2)Sr4Co2 octahedra, edges with four equivalent O(3)Sr5Co octahedra, edges with four equivalent O(4)Sr5Co octahedra, and faces with four equivalent O(2)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 18-53°. is represented by the CIF card [CIF]
data_Sr2CoCuSO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.898
_cell_length_b   3.898
_cell_length_c   16.015
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   243.352
_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
  Sr  Sr0  1  0.500  0.500  0.190  1.0
  Sr  Sr1  1  0.000  0.000  0.809  1.0
  Sr  Sr2  1  0.500  0.500  0.414  1.0
  Sr  Sr3  1  0.000  0.000  0.590  1.0
  Co  Co4  1  0.000  0.000  0.316  1.0
  Co  Co5  1  0.500  0.500  0.691  1.0
  Cu  Cu6  1  0.500  0.000  1.000  1.0
  Cu  Cu7  1  0.000  0.500  1.000  1.0
  S  S8  1  0.000  0.000  0.087  1.0
  S  S9  1  0.500  0.500  0.913  1.0
  O  O10  1  0.500  0.000  0.288  1.0
  O  O11  1  0.000  0.500  0.288  1.0
  O  O12  1  0.000  0.500  0.711  1.0
  O  O13  1  0.500  0.000  0.711  1.0
  O  O14  1  0.000  0.000  0.428  1.0
  O  O15  1  0.500  0.500  0.562  1.0
[/CIF]
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The structure described by Sr2CoCuSO3 crystallizes in the tetragonal P4mm space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 4-coordinate geometry to four equivalent S(1) and four equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to four equivalent S(2) and four equivalent O(2) atoms. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(4), four equivalent O(1), and four equivalent O(3) atoms. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(3), four equivalent O(2), and four equivalent O(4) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3) and four equivalent O(1) atoms to form distorted corner-sharing CoO5 square pyramids. In the second Co site, Co(2) is bonded to one O(4) and four equivalent O(2) atoms to form corner-sharing CoO5 square pyramids. Cu(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form a mixture of corner and edge-sharing CuS4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 8-coordinate geometry to four equivalent Sr(1) and four equivalent Cu(1) atoms. In the second S site, S(2) is bonded in a 8-coordinate geometry to four equivalent Sr(2) and four equivalent Cu(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Co(1) atoms to form distorted OSr4Co2 octahedra that share corners with two equivalent O(1)Sr4Co2 octahedra, corners with two equivalent O(4)Sr5Co octahedra, corners with four equivalent O(3)Sr5Co octahedra, edges with two equivalent O(1)Sr4Co2 octahedra, faces with two equivalent O(3)Sr5Co octahedra, and faces with four equivalent O(1)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 26-57°. In the second O site, O(2) is bonded to two equivalent Sr(2), two equivalent Sr(4), and two equivalent Co(2) atoms to form distorted OSr4Co2 octahedra that share corners with two equivalent O(2)Sr4Co2 octahedra, corners with two equivalent O(3)Sr5Co octahedra, corners with four equivalent O(4)Sr5Co octahedra, edges with two equivalent O(2)Sr4Co2 octahedra, faces with two equivalent O(4)Sr5Co octahedra, and faces with four equivalent O(2)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 18-53°. In the third O site, O(3) is bonded to one Sr(4), four equivalent Sr(3), and one Co(1) atom to form distorted OSr5Co octahedra that share corners with four equivalent O(2)Sr4Co2 octahedra, corners with four equivalent O(3)Sr5Co octahedra, corners with eight equivalent O(1)Sr4Co2 octahedra, edges with four equivalent O(3)Sr5Co octahedra, edges with four equivalent O(4)Sr5Co octahedra, and faces with four equivalent O(1)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 10-57°. In the fourth O site, O(4) is bonded to one Sr(3), four equivalent Sr(4), and one Co(2) atom to form distorted OSr5Co octahedra that share corners with four equivalent O(1)Sr4Co2 octahedra, corners with four equivalent O(4)Sr5Co octahedra, corners with eight equivalent O(2)Sr4Co2 octahedra, edges with four equivalent O(3)Sr5Co octahedra, edges with four equivalent O(4)Sr5Co octahedra, and faces with four equivalent O(2)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 18-53°. is represented by the CIF card [CIF]
data_Sr2CoCuSO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.898
_cell_length_b   3.898
_cell_length_c   16.015
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   243.352
_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
  Sr  Sr0  1  0.500  0.500  0.190  1.0
  Sr  Sr1  1  0.000  0.000  0.809  1.0
  Sr  Sr2  1  0.500  0.500  0.414  1.0
  Sr  Sr3  1  0.000  0.000  0.590  1.0
  Co  Co4  1  0.000  0.000  0.316  1.0
  Co  Co5  1  0.500  0.500  0.691  1.0
  Cu  Cu6  1  0.500  0.000  1.000  1.0
  Cu  Cu7  1  0.000  0.500  1.000  1.0
  S  S8  1  0.000  0.000  0.087  1.0
  S  S9  1  0.500  0.500  0.913  1.0
  O  O10  1  0.500  0.000  0.288  1.0
  O  O11  1  0.000  0.500  0.288  1.0
  O  O12  1  0.000  0.500  0.711  1.0
  O  O13  1  0.500  0.000  0.711  1.0
  O  O14  1  0.000  0.000  0.428  1.0
  O  O15  1  0.500  0.500  0.562  1.0
[/CIF]
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