The structure described by Sr4MgMn2Cu2(SO3)2 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 one Mg(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. Mg(1) is bonded in a 9-coordinate geometry to one Sr(1), four equivalent Cu(1), and four equivalent S(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3) and four equivalent O(1) atoms to form distorted corner-sharing MnO5 trigonal bipyramids. In the second Mn site, Mn(2) is bonded to one O(4) and four equivalent O(2) atoms to form corner-sharing MnO5 square pyramids. Cu(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1), two equivalent S(1), and two equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 8-coordinate geometry to four equivalent Mg(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 in a 4-coordinate geometry to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Sr(2), two equivalent Sr(4), and two equivalent Mn(2) atoms. In the third O site, O(3) is bonded to one Sr(4), four equivalent Sr(3), and one Mn(1) atom to form a mixture of distorted corner and edge-sharing OSr5Mn octahedra. The corner-sharing octahedral tilt angles are 8°. In the fourth O site, O(4) is bonded to one Sr(3), four equivalent Sr(4), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OSr5Mn octahedra. The corner-sharing octahedral tilt angles are 11°. is represented by the CIF card [CIF]
data_Sr4MgMn2Cu2(SO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.948
_cell_length_b   3.948
_cell_length_c   18.880
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   294.230
_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  0.750  0.750  0.255  1.0
  Sr  Sr1  1  0.250  0.250  0.784  1.0
  Sr  Sr2  1  0.750  0.750  0.449  1.0
  Sr  Sr3  1  0.250  0.250  0.590  1.0
  Mg  Mg4  1  0.750  0.750  0.060  1.0
  Mn  Mn5  1  0.250  0.250  0.351  1.0
  Mn  Mn6  1  0.750  0.750  0.685  1.0
  Cu  Cu7  1  0.750  0.250  0.947  1.0
  Cu  Cu8  1  0.250  0.750  0.947  1.0
  S  S9  1  0.250  0.250  0.031  1.0
  S  S10  1  0.750  0.750  0.876  1.0
  O  O11  1  0.750  0.250  0.327  1.0
  O  O12  1  0.250  0.750  0.327  1.0
  O  O13  1  0.250  0.750  0.704  1.0
  O  O14  1  0.750  0.250  0.704  1.0
  O  O15  1  0.250  0.250  0.459  1.0
  O  O16  1  0.750  0.750  0.576  1.0
[/CIF]
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The structure described by Sr4MgMn2Cu2(SO3)2 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 one Mg(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. Mg(1) is bonded in a 9-coordinate geometry to one Sr(1), four equivalent Cu(1), and four equivalent S(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3) and four equivalent O(1) atoms to form distorted corner-sharing MnO5 trigonal bipyramids. In the second Mn site, Mn(2) is bonded to one O(4) and four equivalent O(2) atoms to form corner-sharing MnO5 square pyramids. Cu(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1), two equivalent S(1), and two equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 8-coordinate geometry to four equivalent Mg(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 in a 4-coordinate geometry to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Sr(2), two equivalent Sr(4), and two equivalent Mn(2) atoms. In the third O site, O(3) is bonded to one Sr(4), four equivalent Sr(3), and one Mn(1) atom to form a mixture of distorted corner and edge-sharing OSr5Mn octahedra. The corner-sharing octahedral tilt angles are 8°. In the fourth O site, O(4) is bonded to one Sr(3), four equivalent Sr(4), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OSr5Mn octahedra. The corner-sharing octahedral tilt angles are 11°. is represented by the CIF card [CIF]
data_Sr4MgMn2Cu2(SO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.948
_cell_length_b   3.948
_cell_length_c   18.880
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   294.230
_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  0.750  0.750  0.255  1.0
  Sr  Sr1  1  0.250  0.250  0.784  1.0
  Sr  Sr2  1  0.750  0.750  0.449  1.0
  Sr  Sr3  1  0.250  0.250  0.590  1.0
  Mg  Mg4  1  0.750  0.750  0.060  1.0
  Mn  Mn5  1  0.250  0.250  0.351  1.0
  Mn  Mn6  1  0.750  0.750  0.685  1.0
  Cu  Cu7  1  0.750  0.250  0.947  1.0
  Cu  Cu8  1  0.250  0.750  0.947  1.0
  S  S9  1  0.250  0.250  0.031  1.0
  S  S10  1  0.750  0.750  0.876  1.0
  O  O11  1  0.750  0.250  0.327  1.0
  O  O12  1  0.250  0.750  0.327  1.0
  O  O13  1  0.250  0.750  0.704  1.0
  O  O14  1  0.750  0.250  0.704  1.0
  O  O15  1  0.250  0.250  0.459  1.0
  O  O16  1  0.750  0.750  0.576  1.0
[/CIF]
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