The material structure described by Sr4MgMn2(SO3)2 crystallizes in the orthorhombic Pmm2 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to four equivalent S(1), two equivalent O(1), and two equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a 8-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 in a 9-coordinate geometry to one O(6), two equivalent O(1), two equivalent O(2), and four equivalent O(5) atoms. 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 to two equivalent S(1) and two equivalent S(2) atoms to form corner-sharing MgS4 tetrahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(5), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing MnO5 square pyramids. 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 corner-sharing MnO5 square pyramids. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to four equivalent Sr(1) and two equivalent Mg(1) atoms. In the second S site, S(2) is bonded in a 6-coordinate geometry to four equivalent Sr(2) and two equivalent Mg(1) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Mn(1) atoms to form distorted OSr4Mn2 octahedra that share corners with two equivalent O(1)Sr4Mn2 octahedra, corners with two equivalent O(6)Sr5Mn octahedra, corners with four equivalent O(5)Sr5Mn octahedra, edges with two equivalent O(1)Sr4Mn2 octahedra, faces with two equivalent O(5)Sr5Mn octahedra, and faces with four equivalent O(2)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 16-56°. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Mn(1) atoms to form distorted OSr4Mn2 octahedra that share corners with two equivalent O(2)Sr4Mn2 octahedra, corners with two equivalent O(6)Sr5Mn octahedra, corners with four equivalent O(5)Sr5Mn octahedra, edges with two equivalent O(2)Sr4Mn2 octahedra, faces with two equivalent O(5)Sr5Mn octahedra, and faces with four equivalent O(1)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 15-56°. In the third O site, O(3) 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(3)Sr4Mn2 octahedra, corners with two equivalent O(5)Sr5Mn octahedra, corners with four equivalent O(6)Sr5Mn octahedra, edges with two equivalent O(3)Sr4Mn2 octahedra, faces with two equivalent O(6)Sr5Mn octahedra, and faces with four equivalent O(4)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 15-56°. 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, faces with two equivalent O(6)Sr5Mn octahedra, and faces with four equivalent O(3)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 16-56°. In the fifth O site, O(5) is bonded to one Sr(4), four equivalent Sr(3), and one Mn(1) atom to form distorted OSr5Mn octahedra that share corners with two equivalent O(3)Sr4Mn2 octahedra, corners with two equivalent O(4)Sr4Mn2 octahedra, corners with four equivalent O(1)Sr4Mn2 octahedra, corners with four equivalent O(2)Sr4Mn2 octahedra, corners with four equivalent O(5)Sr5Mn octahedra, edges with four equivalent O(5)Sr5Mn octahedra, edges with four equivalent O(6)Sr5Mn octahedra, faces with two equivalent O(1)Sr4Mn2 octahedra, and faces with two equivalent O(2)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 10-56°. 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 two equivalent O(1)Sr4Mn2 octahedra, corners with two equivalent O(2)Sr4Mn2 octahedra, corners with four equivalent O(3)Sr4Mn2 octahedra, 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, faces with two equivalent O(3)Sr4Mn2 octahedra, and faces with two equivalent O(4)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 11-56°. is represented by the CIF card [CIF]
data_Sr4MgMn2(SO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.922
_cell_length_b   3.920
_cell_length_c   16.156
_cell_angle_alpha   90.000
_cell_angle_beta   90.001
_cell_angle_gamma   90.003
_symmetry_Int_Tables_number   1
_cell_volume   248.356
_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  0.198  1.0
  Sr  Sr1  1  0.250  0.250  0.820  1.0
  Sr  Sr2  1  0.750  0.750  0.425  1.0
  Sr  Sr3  1  0.250  0.250  0.593  1.0
  Mg  Mg4  1  0.750  0.250  0.009  1.0
  Mn  Mn5  1  0.250  0.250  0.316  1.0
  Mn  Mn6  1  0.750  0.750  0.702  1.0
  S  S7  1  0.250  0.250  0.104  1.0
  S  S8  1  0.750  0.750  0.913  1.0
  O  O9  1  0.750  0.250  0.299  1.0
  O  O10  1  0.250  0.750  0.300  1.0
  O  O11  1  0.250  0.750  0.718  1.0
  O  O12  1  0.750  0.250  0.720  1.0
  O  O13  1  0.250  0.250  0.441  1.0
  O  O14  1  0.750  0.750  0.577  1.0
[/CIF]
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The material structure described by Sr4MgMn2(SO3)2 crystallizes in the orthorhombic Pmm2 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to four equivalent S(1), two equivalent O(1), and two equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a 8-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 in a 9-coordinate geometry to one O(6), two equivalent O(1), two equivalent O(2), and four equivalent O(5) atoms. 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 to two equivalent S(1) and two equivalent S(2) atoms to form corner-sharing MgS4 tetrahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(5), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing MnO5 square pyramids. 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 corner-sharing MnO5 square pyramids. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to four equivalent Sr(1) and two equivalent Mg(1) atoms. In the second S site, S(2) is bonded in a 6-coordinate geometry to four equivalent Sr(2) and two equivalent Mg(1) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Mn(1) atoms to form distorted OSr4Mn2 octahedra that share corners with two equivalent O(1)Sr4Mn2 octahedra, corners with two equivalent O(6)Sr5Mn octahedra, corners with four equivalent O(5)Sr5Mn octahedra, edges with two equivalent O(1)Sr4Mn2 octahedra, faces with two equivalent O(5)Sr5Mn octahedra, and faces with four equivalent O(2)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 16-56°. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Mn(1) atoms to form distorted OSr4Mn2 octahedra that share corners with two equivalent O(2)Sr4Mn2 octahedra, corners with two equivalent O(6)Sr5Mn octahedra, corners with four equivalent O(5)Sr5Mn octahedra, edges with two equivalent O(2)Sr4Mn2 octahedra, faces with two equivalent O(5)Sr5Mn octahedra, and faces with four equivalent O(1)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 15-56°. In the third O site, O(3) 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(3)Sr4Mn2 octahedra, corners with two equivalent O(5)Sr5Mn octahedra, corners with four equivalent O(6)Sr5Mn octahedra, edges with two equivalent O(3)Sr4Mn2 octahedra, faces with two equivalent O(6)Sr5Mn octahedra, and faces with four equivalent O(4)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 15-56°. 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, faces with two equivalent O(6)Sr5Mn octahedra, and faces with four equivalent O(3)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 16-56°. In the fifth O site, O(5) is bonded to one Sr(4), four equivalent Sr(3), and one Mn(1) atom to form distorted OSr5Mn octahedra that share corners with two equivalent O(3)Sr4Mn2 octahedra, corners with two equivalent O(4)Sr4Mn2 octahedra, corners with four equivalent O(1)Sr4Mn2 octahedra, corners with four equivalent O(2)Sr4Mn2 octahedra, corners with four equivalent O(5)Sr5Mn octahedra, edges with four equivalent O(5)Sr5Mn octahedra, edges with four equivalent O(6)Sr5Mn octahedra, faces with two equivalent O(1)Sr4Mn2 octahedra, and faces with two equivalent O(2)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 10-56°. 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 two equivalent O(1)Sr4Mn2 octahedra, corners with two equivalent O(2)Sr4Mn2 octahedra, corners with four equivalent O(3)Sr4Mn2 octahedra, 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, faces with two equivalent O(3)Sr4Mn2 octahedra, and faces with two equivalent O(4)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 11-56°. is represented by the CIF card [CIF]
data_Sr4MgMn2(SO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.922
_cell_length_b   3.920
_cell_length_c   16.156
_cell_angle_alpha   90.000
_cell_angle_beta   90.001
_cell_angle_gamma   90.003
_symmetry_Int_Tables_number   1
_cell_volume   248.356
_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  0.198  1.0
  Sr  Sr1  1  0.250  0.250  0.820  1.0
  Sr  Sr2  1  0.750  0.750  0.425  1.0
  Sr  Sr3  1  0.250  0.250  0.593  1.0
  Mg  Mg4  1  0.750  0.250  0.009  1.0
  Mn  Mn5  1  0.250  0.250  0.316  1.0
  Mn  Mn6  1  0.750  0.750  0.702  1.0
  S  S7  1  0.250  0.250  0.104  1.0
  S  S8  1  0.750  0.750  0.913  1.0
  O  O9  1  0.750  0.250  0.299  1.0
  O  O10  1  0.250  0.750  0.300  1.0
  O  O11  1  0.250  0.750  0.718  1.0
  O  O12  1  0.750  0.250  0.720  1.0
  O  O13  1  0.250  0.250  0.441  1.0
  O  O14  1  0.750  0.750  0.577  1.0
[/CIF]
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