The compound described by Sr4MgMn2Cu2(SO3)2 crystallizes in the orthorhombic Pmm2 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form corner-sharing SrO4 tetrahedra. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to four equivalent S(2), two equivalent O(3), and two equivalent O(4) atoms. In the third Sr site, Sr(3) is bonded to one O(6) and four equivalent O(5) atoms to form distorted SrO5 square pyramids that share  a cornercorner with one Mn(2)O5 square pyramid, corners with four equivalent Sr(3)O5 square pyramids, and edges with four equivalent Sr(3)O5 square pyramids. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(5), two equivalent O(3), two equivalent O(4), and four equivalent O(6) atoms. Mg(1) is bonded in a distorted trigonal planar geometry to two equivalent S(1) and one O(1) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted trigonal non-coplanar geometry to one O(5) and two equivalent O(2) atoms. In the second Mn site, Mn(2) is bonded to one O(6), two equivalent O(3), and two equivalent O(4) atoms to form MnO5 square pyramids that share  a cornercorner with one Sr(3)O5 square pyramid and corners with four equivalent Mn(2)O5 square pyramids. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form a mixture of distorted corner and edge-sharing CuS4 tetrahedra. In the second Cu site, Cu(2) 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 6-coordinate geometry to two equivalent Mg(1), two equivalent Cu(1), and two equivalent Cu(2) atoms. In the second S site, S(2) is bonded in a 8-coordinate geometry to four equivalent Sr(2), two equivalent Cu(1), and two equivalent Cu(2) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Sr(1) and one Mg(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Sr(2), two equivalent Sr(4), and two equivalent Mn(2) atoms. In the fourth O site, O(4) is bonded to two equivalent Sr(2), two equivalent Sr(4), and two equivalent Mn(2) atoms to form distorted OSr4Mn2 octahedra that share corners with two equivalent O(4)Sr4Mn2 octahedra, corners with two equivalent O(5)Sr5Mn octahedra, corners with four equivalent O(6)Sr5Mn octahedra, edges with two equivalent O(4)Sr4Mn2 octahedra, and faces with two equivalent O(6)Sr5Mn octahedra. The corner-sharing octahedral tilt angles range from 18-55°. In the fifth O site, O(5) is bonded to one Sr(4), four equivalent Sr(3), and one Mn(1) atom to form OSr5Mn octahedra that share corners with two equivalent O(4)Sr4Mn2 octahedra, corners with four equivalent O(5)Sr5Mn octahedra, edges with four equivalent O(5)Sr5Mn octahedra, and edges with four equivalent O(6)Sr5Mn octahedra. The corner-sharing octahedral tilt angles range from 2-43°. In the sixth O site, O(6) is bonded to one Sr(3), four equivalent Sr(4), and one Mn(2) atom to form distorted OSr5Mn octahedra that share corners with four equivalent O(4)Sr4Mn2 octahedra, corners with four equivalent O(6)Sr5Mn octahedra, edges with four equivalent O(5)Sr5Mn octahedra, edges with four equivalent O(6)Sr5Mn octahedra, and faces with two equivalent O(4)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 15-55°. is represented by the CIF card [CIF]
data_Sr4MgMn2Cu2(SO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.905
_cell_length_b   3.917
_cell_length_c   19.591
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   299.735
_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  0.262  1.0
  Sr  Sr1  1  0.250  0.250  0.796  1.0
  Sr  Sr2  1  0.750  0.750  0.474  1.0
  Sr  Sr3  1  0.250  0.250  0.611  1.0
  Mg  Mg4  1  0.750  0.250  0.101  1.0
  Mn  Mn5  1  0.250  0.250  0.374  1.0
  Mn  Mn6  1  0.750  0.750  0.700  1.0
  Cu  Cu7  1  0.750  0.250  0.942  1.0
  Cu  Cu8  1  0.250  0.750  0.953  1.0
  S  S9  1  0.250  0.250  0.027  1.0
  S  S10  1  0.750  0.750  0.881  1.0
  O  O11  1  0.750  0.250  0.196  1.0
  O  O12  1  0.250  0.750  0.344  1.0
  O  O13  1  0.250  0.750  0.716  1.0
  O  O14  1  0.750  0.250  0.716  1.0
  O  O15  1  0.250  0.250  0.477  1.0
  O  O16  1  0.750  0.750  0.593  1.0
[/CIF]
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The compound described by Sr4MgMn2Cu2(SO3)2 crystallizes in the orthorhombic Pmm2 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form corner-sharing SrO4 tetrahedra. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to four equivalent S(2), two equivalent O(3), and two equivalent O(4) atoms. In the third Sr site, Sr(3) is bonded to one O(6) and four equivalent O(5) atoms to form distorted SrO5 square pyramids that share  a cornercorner with one Mn(2)O5 square pyramid, corners with four equivalent Sr(3)O5 square pyramids, and edges with four equivalent Sr(3)O5 square pyramids. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(5), two equivalent O(3), two equivalent O(4), and four equivalent O(6) atoms. Mg(1) is bonded in a distorted trigonal planar geometry to two equivalent S(1) and one O(1) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted trigonal non-coplanar geometry to one O(5) and two equivalent O(2) atoms. In the second Mn site, Mn(2) is bonded to one O(6), two equivalent O(3), and two equivalent O(4) atoms to form MnO5 square pyramids that share  a cornercorner with one Sr(3)O5 square pyramid and corners with four equivalent Mn(2)O5 square pyramids. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form a mixture of distorted corner and edge-sharing CuS4 tetrahedra. In the second Cu site, Cu(2) 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 6-coordinate geometry to two equivalent Mg(1), two equivalent Cu(1), and two equivalent Cu(2) atoms. In the second S site, S(2) is bonded in a 8-coordinate geometry to four equivalent Sr(2), two equivalent Cu(1), and two equivalent Cu(2) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Sr(1) and one Mg(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Sr(2), two equivalent Sr(4), and two equivalent Mn(2) atoms. In the fourth O site, O(4) is bonded to two equivalent Sr(2), two equivalent Sr(4), and two equivalent Mn(2) atoms to form distorted OSr4Mn2 octahedra that share corners with two equivalent O(4)Sr4Mn2 octahedra, corners with two equivalent O(5)Sr5Mn octahedra, corners with four equivalent O(6)Sr5Mn octahedra, edges with two equivalent O(4)Sr4Mn2 octahedra, and faces with two equivalent O(6)Sr5Mn octahedra. The corner-sharing octahedral tilt angles range from 18-55°. In the fifth O site, O(5) is bonded to one Sr(4), four equivalent Sr(3), and one Mn(1) atom to form OSr5Mn octahedra that share corners with two equivalent O(4)Sr4Mn2 octahedra, corners with four equivalent O(5)Sr5Mn octahedra, edges with four equivalent O(5)Sr5Mn octahedra, and edges with four equivalent O(6)Sr5Mn octahedra. The corner-sharing octahedral tilt angles range from 2-43°. In the sixth O site, O(6) is bonded to one Sr(3), four equivalent Sr(4), and one Mn(2) atom to form distorted OSr5Mn octahedra that share corners with four equivalent O(4)Sr4Mn2 octahedra, corners with four equivalent O(6)Sr5Mn octahedra, edges with four equivalent O(5)Sr5Mn octahedra, edges with four equivalent O(6)Sr5Mn octahedra, and faces with two equivalent O(4)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 15-55°. is represented by the CIF card [CIF]
data_Sr4MgMn2Cu2(SO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.905
_cell_length_b   3.917
_cell_length_c   19.591
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   299.735
_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  0.262  1.0
  Sr  Sr1  1  0.250  0.250  0.796  1.0
  Sr  Sr2  1  0.750  0.750  0.474  1.0
  Sr  Sr3  1  0.250  0.250  0.611  1.0
  Mg  Mg4  1  0.750  0.250  0.101  1.0
  Mn  Mn5  1  0.250  0.250  0.374  1.0
  Mn  Mn6  1  0.750  0.750  0.700  1.0
  Cu  Cu7  1  0.750  0.250  0.942  1.0
  Cu  Cu8  1  0.250  0.750  0.953  1.0
  S  S9  1  0.250  0.250  0.027  1.0
  S  S10  1  0.750  0.750  0.881  1.0
  O  O11  1  0.750  0.250  0.196  1.0
  O  O12  1  0.250  0.750  0.344  1.0
  O  O13  1  0.250  0.750  0.716  1.0
  O  O14  1  0.750  0.250  0.716  1.0
  O  O15  1  0.250  0.250  0.477  1.0
  O  O16  1  0.750  0.750  0.593  1.0
[/CIF]
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