The crystal structure described by Sr8MgMn6O20 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(11), one O(14), one O(15), one O(2), one O(3), one O(7), one O(8), and two equivalent O(18) atoms. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(12), one O(18), one O(19), one O(7), and one O(8) atom. In the third Sr site, Sr(3) is bonded in a 10-coordinate geometry to one O(10), one O(18), one O(2), one O(20), one O(3), one O(5), one O(6), one O(9), and two equivalent O(14) atoms. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(10), one O(14), one O(17), one O(4), one O(5), one O(6), one O(9), and two equivalent O(13) atoms. In the fifth Sr site, Sr(5) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(13), one O(4), one O(5), one O(6), one O(9), and two equivalent O(17) atoms. In the sixth Sr site, Sr(6) is bonded in a 9-coordinate geometry to one O(10), one O(14), one O(15), one O(2), one O(3), one O(5), one O(9), and two equivalent O(20) atoms. In the seventh Sr site, Sr(7) is bonded in a 9-coordinate geometry to one O(11), one O(12), one O(18), one O(2), one O(20), one O(3), one O(8), and two equivalent O(15) atoms. In the eighth Sr site, Sr(8) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(16), one O(17), one O(19), and one O(4) atom. Mg(1) is bonded to one O(11), one O(12), one O(16), one O(19), and one O(8) atom to form distorted MgO5 tetrahedra that share corners with two equivalent Mn(3)O6 octahedra and corners with two equivalent Mn(4)O5 square pyramids. The corner-sharing octahedral tilt angles range from 13-23°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(1), one O(13), one O(17), one O(4), one O(6), and one O(9) atom. In the second Mn site, Mn(2) is bonded to one O(10), one O(14), one O(2), one O(20), one O(3), and one O(5) atom to form a mixture of face and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the third Mn site, Mn(3) is bonded to one O(11), one O(15), one O(18), one O(2), one O(3), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra and corners with two equivalent Mg(1)O5 tetrahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(16), one O(19), one O(4), and one O(7) atom to form distorted MnO5 square pyramids that share corners with two equivalent Mg(1)O5 tetrahedra. In the fifth Mn site, Mn(5) is bonded to one O(10), one O(17), one O(20), one O(5), one O(6), and one O(9) atom to form face-sharing MnO6 octahedra. In the sixth Mn site, Mn(6) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(15), one O(16), one O(7), and one O(8) atom. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Sr(2), one Sr(5), one Sr(8), one Mn(1), and one Mn(4) atom. In the second O site, O(2) is bonded to one Sr(1), one Sr(3), one Sr(6), one Sr(7), one Mn(2), and one Mn(3) atom to form a mixture of distorted face and corner-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 54-57°. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(3), one Sr(6), one Sr(7), one Mn(2), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(4), one Sr(5), one Sr(8), one Mn(1), and one Mn(4) atom. In the fifth O site, O(5) is bonded to one Sr(3), one Sr(4), one Sr(5), one Sr(6), one Mn(2), and one Mn(5) atom to form a mixture of distorted face and corner-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 36-55°. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Sr(3), one Sr(4), one Sr(5), one Mn(1), and one Mn(5) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Mn(4), and one Mn(6) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Sr(7), one Mg(1), one Mn(3), and one Mn(6) atom. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Sr(3), one Sr(4), one Sr(5), one Sr(6), one Mn(1), and one Mn(5) atom. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Sr(3), one Sr(4), one Sr(5), one Sr(6), one Mn(2), and one Mn(5) atom. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Sr(7), one Mg(1), one Mn(3), and one Mn(6) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(7), one Sr(8), one Mg(1), and one Mn(6) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Sr(5), two equivalent Sr(4), and one Mn(1) atom. In the fourteenth O site, O(14) is bonded in a 1-coordinate geometry to one Sr(1), one Sr(4), one Sr(6), two equivalent Sr(3), and one Mn(2) atom. In the fifteenth O site, O(15) is bonded to one Sr(1), one Sr(6), two equivalent Sr(7), one Mn(3), and one Mn(6) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 7-55°. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Sr(8), one Mg(1), one Mn(4), and one Mn(6) atom. In the seventeenth O site, O(17) is bonded in a 6-coordinate geometry to one Sr(4), one Sr(8), two equivalent Sr(5), one Mn(1), and one Mn(5) atom. In the eighteenth O site, O(18) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), one Sr(7), two equivalent Sr(1), and one Mn(3) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(8), one Mg(1), and one Mn(4) atom. In the twentieth O site, O(20) is bonded to one Sr(3), one Sr(7), two equivalent Sr(6), one Mn(2), and one Mn(5) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 6-57°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr8MgMn6O20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.601
_cell_length_b   6.712
_cell_length_c   13.819
_cell_angle_alpha   91.445
_cell_angle_beta   91.641
_cell_angle_gamma   112.342
_symmetry_Int_Tables_number   1
_cell_volume   479.968
_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  0.218  0.468  0.151  1.0
  Sr  Sr1  1  0.680  0.455  0.955  1.0
  Sr  Sr2  1  0.746  0.488  0.382  1.0
  Sr  Sr3  1  0.274  0.536  0.576  1.0
  Sr  Sr4  1  0.036  0.962  0.614  1.0
  Sr  Sr5  1  0.016  0.062  0.353  1.0
  Sr  Sr6  1  0.484  0.039  0.158  1.0
  Sr  Sr7  1  0.615  0.919  0.791  1.0
  Mg  Mg8  1  0.264  0.821  0.941  1.0
  Mn  Mn9  1  0.689  0.293  0.652  1.0
  Mn  Mn10  1  0.366  0.751  0.348  1.0
  Mn  Mn11  1  0.847  0.735  0.157  1.0
  Mn  Mn12  1  0.173  0.283  0.841  1.0
  Mn  Mn13  1  0.533  0.028  0.493  1.0
  Mn  Mn14  1  0.906  0.022  0.010  1.0
  O  O15  1  0.482  0.258  0.759  1.0
  O  O16  1  0.105  0.761  0.259  1.0
  O  O17  1  0.607  0.759  0.252  1.0
  O  O18  1  0.964  0.243  0.720  1.0
  O  O19  1  0.181  0.808  0.458  1.0
  O  O20  1  0.425  0.248  0.540  1.0
  O  O21  1  0.175  0.290  0.984  1.0
  O  O22  1  0.084  0.738  0.059  1.0
  O  O23  1  0.871  0.225  0.519  1.0
  O  O24  1  0.629  0.790  0.450  1.0
  O  O25  1  0.628  0.758  0.055  1.0
  O  O26  1  0.598  0.075  0.957  1.0
  O  O27  1  0.836  0.581  0.640  1.0
  O  O28  1  0.224  0.454  0.350  1.0
  O  O29  1  0.997  0.065  0.156  1.0
  O  O30  1  0.029  0.952  0.869  1.0
  O  O31  1  0.512  0.941  0.623  1.0
  O  O32  1  0.697  0.431  0.152  1.0
  O  O33  1  0.308  0.590  0.854  1.0
  O  O34  1  0.529  0.085  0.355  1.0
[/CIF]
.
The crystal structure described by Sr8MgMn6O20 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(11), one O(14), one O(15), one O(2), one O(3), one O(7), one O(8), and two equivalent O(18) atoms. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(12), one O(18), one O(19), one O(7), and one O(8) atom. In the third Sr site, Sr(3) is bonded in a 10-coordinate geometry to one O(10), one O(18), one O(2), one O(20), one O(3), one O(5), one O(6), one O(9), and two equivalent O(14) atoms. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(10), one O(14), one O(17), one O(4), one O(5), one O(6), one O(9), and two equivalent O(13) atoms. In the fifth Sr site, Sr(5) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(13), one O(4), one O(5), one O(6), one O(9), and two equivalent O(17) atoms. In the sixth Sr site, Sr(6) is bonded in a 9-coordinate geometry to one O(10), one O(14), one O(15), one O(2), one O(3), one O(5), one O(9), and two equivalent O(20) atoms. In the seventh Sr site, Sr(7) is bonded in a 9-coordinate geometry to one O(11), one O(12), one O(18), one O(2), one O(20), one O(3), one O(8), and two equivalent O(15) atoms. In the eighth Sr site, Sr(8) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(16), one O(17), one O(19), and one O(4) atom. Mg(1) is bonded to one O(11), one O(12), one O(16), one O(19), and one O(8) atom to form distorted MgO5 tetrahedra that share corners with two equivalent Mn(3)O6 octahedra and corners with two equivalent Mn(4)O5 square pyramids. The corner-sharing octahedral tilt angles range from 13-23°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(1), one O(13), one O(17), one O(4), one O(6), and one O(9) atom. In the second Mn site, Mn(2) is bonded to one O(10), one O(14), one O(2), one O(20), one O(3), and one O(5) atom to form a mixture of face and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the third Mn site, Mn(3) is bonded to one O(11), one O(15), one O(18), one O(2), one O(3), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra and corners with two equivalent Mg(1)O5 tetrahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(16), one O(19), one O(4), and one O(7) atom to form distorted MnO5 square pyramids that share corners with two equivalent Mg(1)O5 tetrahedra. In the fifth Mn site, Mn(5) is bonded to one O(10), one O(17), one O(20), one O(5), one O(6), and one O(9) atom to form face-sharing MnO6 octahedra. In the sixth Mn site, Mn(6) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(15), one O(16), one O(7), and one O(8) atom. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Sr(2), one Sr(5), one Sr(8), one Mn(1), and one Mn(4) atom. In the second O site, O(2) is bonded to one Sr(1), one Sr(3), one Sr(6), one Sr(7), one Mn(2), and one Mn(3) atom to form a mixture of distorted face and corner-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 54-57°. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(3), one Sr(6), one Sr(7), one Mn(2), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(4), one Sr(5), one Sr(8), one Mn(1), and one Mn(4) atom. In the fifth O site, O(5) is bonded to one Sr(3), one Sr(4), one Sr(5), one Sr(6), one Mn(2), and one Mn(5) atom to form a mixture of distorted face and corner-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 36-55°. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Sr(3), one Sr(4), one Sr(5), one Mn(1), and one Mn(5) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Mn(4), and one Mn(6) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Sr(7), one Mg(1), one Mn(3), and one Mn(6) atom. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Sr(3), one Sr(4), one Sr(5), one Sr(6), one Mn(1), and one Mn(5) atom. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Sr(3), one Sr(4), one Sr(5), one Sr(6), one Mn(2), and one Mn(5) atom. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Sr(7), one Mg(1), one Mn(3), and one Mn(6) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(7), one Sr(8), one Mg(1), and one Mn(6) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Sr(5), two equivalent Sr(4), and one Mn(1) atom. In the fourteenth O site, O(14) is bonded in a 1-coordinate geometry to one Sr(1), one Sr(4), one Sr(6), two equivalent Sr(3), and one Mn(2) atom. In the fifteenth O site, O(15) is bonded to one Sr(1), one Sr(6), two equivalent Sr(7), one Mn(3), and one Mn(6) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 7-55°. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Sr(8), one Mg(1), one Mn(4), and one Mn(6) atom. In the seventeenth O site, O(17) is bonded in a 6-coordinate geometry to one Sr(4), one Sr(8), two equivalent Sr(5), one Mn(1), and one Mn(5) atom. In the eighteenth O site, O(18) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), one Sr(7), two equivalent Sr(1), and one Mn(3) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(8), one Mg(1), and one Mn(4) atom. In the twentieth O site, O(20) is bonded to one Sr(3), one Sr(7), two equivalent Sr(6), one Mn(2), and one Mn(5) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 6-57°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr8MgMn6O20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.601
_cell_length_b   6.712
_cell_length_c   13.819
_cell_angle_alpha   91.445
_cell_angle_beta   91.641
_cell_angle_gamma   112.342
_symmetry_Int_Tables_number   1
_cell_volume   479.968
_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  0.218  0.468  0.151  1.0
  Sr  Sr1  1  0.680  0.455  0.955  1.0
  Sr  Sr2  1  0.746  0.488  0.382  1.0
  Sr  Sr3  1  0.274  0.536  0.576  1.0
  Sr  Sr4  1  0.036  0.962  0.614  1.0
  Sr  Sr5  1  0.016  0.062  0.353  1.0
  Sr  Sr6  1  0.484  0.039  0.158  1.0
  Sr  Sr7  1  0.615  0.919  0.791  1.0
  Mg  Mg8  1  0.264  0.821  0.941  1.0
  Mn  Mn9  1  0.689  0.293  0.652  1.0
  Mn  Mn10  1  0.366  0.751  0.348  1.0
  Mn  Mn11  1  0.847  0.735  0.157  1.0
  Mn  Mn12  1  0.173  0.283  0.841  1.0
  Mn  Mn13  1  0.533  0.028  0.493  1.0
  Mn  Mn14  1  0.906  0.022  0.010  1.0
  O  O15  1  0.482  0.258  0.759  1.0
  O  O16  1  0.105  0.761  0.259  1.0
  O  O17  1  0.607  0.759  0.252  1.0
  O  O18  1  0.964  0.243  0.720  1.0
  O  O19  1  0.181  0.808  0.458  1.0
  O  O20  1  0.425  0.248  0.540  1.0
  O  O21  1  0.175  0.290  0.984  1.0
  O  O22  1  0.084  0.738  0.059  1.0
  O  O23  1  0.871  0.225  0.519  1.0
  O  O24  1  0.629  0.790  0.450  1.0
  O  O25  1  0.628  0.758  0.055  1.0
  O  O26  1  0.598  0.075  0.957  1.0
  O  O27  1  0.836  0.581  0.640  1.0
  O  O28  1  0.224  0.454  0.350  1.0
  O  O29  1  0.997  0.065  0.156  1.0
  O  O30  1  0.029  0.952  0.869  1.0
  O  O31  1  0.512  0.941  0.623  1.0
  O  O32  1  0.697  0.431  0.152  1.0
  O  O33  1  0.308  0.590  0.854  1.0
  O  O34  1  0.529  0.085  0.355  1.0
[/CIF]
.