The material structure described by MgMn8(SO3)8 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 3-coordinate geometry to one O(2), one O(24), one O(5), and one O(9) atom. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted trigonal bipyramidal geometry to one O(17), one O(2), one O(21), one O(5), and one O(7) atom. In the second Mn site, Mn(2) is bonded in a distorted pentagonal pyramidal geometry to one O(1), one O(12), one O(18), one O(22), one O(6), and one O(8) atom. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(19), one O(23), one O(4), one O(5), one O(7), and one O(9) atom. In the fourth Mn site, Mn(4) is bonded in a 7-coordinate geometry to one O(10), one O(13), one O(20), one O(24), one O(3), one O(6), and one O(8) atom. In the fifth Mn site, Mn(5) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(14), one O(15), one O(19), and one O(23) atom. In the sixth Mn site, Mn(6) is bonded in a 3-coordinate geometry to one O(13), one O(20), and one O(24) atom. In the seventh Mn site, Mn(7) is bonded in a 6-coordinate geometry to one O(12), one O(13), one O(16), one O(17), one O(21), and one O(3) atom. In the eighth Mn site, Mn(8) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(15), one O(18), one O(22), and one O(4) atom. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one O(16), one O(2), and one O(24) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one O(1), one O(15), and one O(23) atom. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to one O(14), one O(22), and one O(4) atom. In the fourth S site, S(4) is bonded in a distorted trigonal non-coplanar geometry to one O(13), one O(21), and one O(3) atom. In the fifth S site, S(5) is bonded in a trigonal non-coplanar geometry to one O(12), one O(18), and one O(8) atom. In the sixth S site, S(6) is bonded in a trigonal non-coplanar geometry to one O(11), one O(17), and one O(7) atom. In the seventh S site, S(7) is bonded in a trigonal non-coplanar geometry to one O(10), one O(20), and one O(6) atom. In the eighth S site, S(8) is bonded in a trigonal non-coplanar geometry to one O(19), one O(5), and one O(9) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(2), one Mn(5), and one S(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Mn(1), and one S(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(4), one Mn(7), and one S(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(3), one Mn(8), and one S(3) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(3), and one S(8) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(4), and one S(7) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one S(6) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(2), one Mn(4), and one S(5) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(3), and one S(8) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Mn(4), one Mn(5), and one S(7) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Mn(8) and one S(6) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(7), and one S(5) atom. In the thirteenth O site, O(13) is bonded in a distorted tetrahedral geometry to one Mn(4), one Mn(6), one Mn(7), and one S(4) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Mn(5), one Mn(8), and one S(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Mn(5), one Mn(8), and one S(2) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Mn(7) and one S(1) atom. In the seventeenth O site, O(17) is bonded in a trigonal planar geometry to one Mn(1), one Mn(7), and one S(6) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(8), and one S(5) atom. In the nineteenth O site, O(19) is bonded in a trigonal planar geometry to one Mn(3), one Mn(5), and one S(8) atom. In the twentieth O site, O(20) is bonded in a trigonal planar geometry to one Mn(4), one Mn(6), and one S(7) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(7), and one S(4) atom. In the twenty-second O site, O(22) is bonded in a trigonal planar geometry to one Mn(2), one Mn(8), and one S(3) atom. In the twenty-third O site, O(23) is bonded in a trigonal planar geometry to one Mn(3), one Mn(5), and one S(2) atom. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(4), one Mn(6), and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn8(SO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.403
_cell_length_b   8.988
_cell_length_c   13.029
_cell_angle_alpha   87.092
_cell_angle_beta   93.878
_cell_angle_gamma   99.955
_symmetry_Int_Tables_number   1
_cell_volume   621.339
_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
  Mg  Mg0  1  0.402  0.277  0.869  1.0
  Mn  Mn1  1  0.325  0.615  0.914  1.0
  Mn  Mn2  1  0.663  0.898  0.413  1.0
  Mn  Mn3  1  0.611  0.411  0.109  1.0
  Mn  Mn4  1  0.383  0.104  0.582  1.0
  Mn  Mn5  1  0.099  0.184  0.253  1.0
  Mn  Mn6  1  0.952  0.229  0.743  1.0
  Mn  Mn7  1  0.877  0.806  0.732  1.0
  Mn  Mn8  1  0.105  0.692  0.251  1.0
  S  S9  1  0.563  0.485  0.689  1.0
  S  S10  1  0.496  0.025  0.180  1.0
  S  S11  1  0.527  0.525  0.327  1.0
  S  S12  1  0.473  0.962  0.796  1.0
  S  S13  1  0.096  0.763  0.503  1.0
  S  S14  1  0.899  0.749  0.009  1.0
  S  S15  1  0.939  0.249  0.481  1.0
  S  S16  1  0.986  0.258  0.008  1.0
  O  O17  1  0.718  0.027  0.263  1.0
  O  O18  1  0.445  0.484  0.796  1.0
  O  O19  1  0.236  0.944  0.722  1.0
  O  O20  1  0.733  0.540  0.245  1.0
  O  O21  1  0.234  0.382  0.988  1.0
  O  O22  1  0.689  0.134  0.482  1.0
  O  O23  1  0.656  0.623  0.014  1.0
  O  O24  1  0.337  0.888  0.504  1.0
  O  O25  1  0.753  0.315  0.954  1.0
  O  O26  1  0.105  0.174  0.414  1.0
  O  O27  1  0.089  0.689  0.085  1.0
  O  O28  1  0.902  0.836  0.558  1.0
  O  O29  1  0.682  0.018  0.717  1.0
  O  O30  1  0.289  0.449  0.266  1.0
  O  O31  1  0.261  0.947  0.235  1.0
  O  O32  1  0.829  0.574  0.706  1.0
  O  O33  1  0.012  0.730  0.903  1.0
  O  O34  1  0.979  0.771  0.391  1.0
  O  O35  1  0.940  0.294  0.122  1.0
  O  O36  1  0.078  0.227  0.589  1.0
  O  O37  1  0.527  0.800  0.821  1.0
  O  O38  1  0.466  0.688  0.334  1.0
  O  O39  1  0.438  0.192  0.173  1.0
  O  O40  1  0.606  0.317  0.686  1.0
[/CIF]
.
The material structure described by MgMn8(SO3)8 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 3-coordinate geometry to one O(2), one O(24), one O(5), and one O(9) atom. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted trigonal bipyramidal geometry to one O(17), one O(2), one O(21), one O(5), and one O(7) atom. In the second Mn site, Mn(2) is bonded in a distorted pentagonal pyramidal geometry to one O(1), one O(12), one O(18), one O(22), one O(6), and one O(8) atom. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(19), one O(23), one O(4), one O(5), one O(7), and one O(9) atom. In the fourth Mn site, Mn(4) is bonded in a 7-coordinate geometry to one O(10), one O(13), one O(20), one O(24), one O(3), one O(6), and one O(8) atom. In the fifth Mn site, Mn(5) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(14), one O(15), one O(19), and one O(23) atom. In the sixth Mn site, Mn(6) is bonded in a 3-coordinate geometry to one O(13), one O(20), and one O(24) atom. In the seventh Mn site, Mn(7) is bonded in a 6-coordinate geometry to one O(12), one O(13), one O(16), one O(17), one O(21), and one O(3) atom. In the eighth Mn site, Mn(8) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(15), one O(18), one O(22), and one O(4) atom. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one O(16), one O(2), and one O(24) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one O(1), one O(15), and one O(23) atom. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to one O(14), one O(22), and one O(4) atom. In the fourth S site, S(4) is bonded in a distorted trigonal non-coplanar geometry to one O(13), one O(21), and one O(3) atom. In the fifth S site, S(5) is bonded in a trigonal non-coplanar geometry to one O(12), one O(18), and one O(8) atom. In the sixth S site, S(6) is bonded in a trigonal non-coplanar geometry to one O(11), one O(17), and one O(7) atom. In the seventh S site, S(7) is bonded in a trigonal non-coplanar geometry to one O(10), one O(20), and one O(6) atom. In the eighth S site, S(8) is bonded in a trigonal non-coplanar geometry to one O(19), one O(5), and one O(9) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(2), one Mn(5), and one S(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Mn(1), and one S(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(4), one Mn(7), and one S(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(3), one Mn(8), and one S(3) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(3), and one S(8) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(4), and one S(7) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one S(6) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(2), one Mn(4), and one S(5) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(3), and one S(8) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Mn(4), one Mn(5), and one S(7) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Mn(8) and one S(6) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(7), and one S(5) atom. In the thirteenth O site, O(13) is bonded in a distorted tetrahedral geometry to one Mn(4), one Mn(6), one Mn(7), and one S(4) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Mn(5), one Mn(8), and one S(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Mn(5), one Mn(8), and one S(2) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Mn(7) and one S(1) atom. In the seventeenth O site, O(17) is bonded in a trigonal planar geometry to one Mn(1), one Mn(7), and one S(6) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(8), and one S(5) atom. In the nineteenth O site, O(19) is bonded in a trigonal planar geometry to one Mn(3), one Mn(5), and one S(8) atom. In the twentieth O site, O(20) is bonded in a trigonal planar geometry to one Mn(4), one Mn(6), and one S(7) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(7), and one S(4) atom. In the twenty-second O site, O(22) is bonded in a trigonal planar geometry to one Mn(2), one Mn(8), and one S(3) atom. In the twenty-third O site, O(23) is bonded in a trigonal planar geometry to one Mn(3), one Mn(5), and one S(2) atom. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(4), one Mn(6), and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn8(SO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.403
_cell_length_b   8.988
_cell_length_c   13.029
_cell_angle_alpha   87.092
_cell_angle_beta   93.878
_cell_angle_gamma   99.955
_symmetry_Int_Tables_number   1
_cell_volume   621.339
_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
  Mg  Mg0  1  0.402  0.277  0.869  1.0
  Mn  Mn1  1  0.325  0.615  0.914  1.0
  Mn  Mn2  1  0.663  0.898  0.413  1.0
  Mn  Mn3  1  0.611  0.411  0.109  1.0
  Mn  Mn4  1  0.383  0.104  0.582  1.0
  Mn  Mn5  1  0.099  0.184  0.253  1.0
  Mn  Mn6  1  0.952  0.229  0.743  1.0
  Mn  Mn7  1  0.877  0.806  0.732  1.0
  Mn  Mn8  1  0.105  0.692  0.251  1.0
  S  S9  1  0.563  0.485  0.689  1.0
  S  S10  1  0.496  0.025  0.180  1.0
  S  S11  1  0.527  0.525  0.327  1.0
  S  S12  1  0.473  0.962  0.796  1.0
  S  S13  1  0.096  0.763  0.503  1.0
  S  S14  1  0.899  0.749  0.009  1.0
  S  S15  1  0.939  0.249  0.481  1.0
  S  S16  1  0.986  0.258  0.008  1.0
  O  O17  1  0.718  0.027  0.263  1.0
  O  O18  1  0.445  0.484  0.796  1.0
  O  O19  1  0.236  0.944  0.722  1.0
  O  O20  1  0.733  0.540  0.245  1.0
  O  O21  1  0.234  0.382  0.988  1.0
  O  O22  1  0.689  0.134  0.482  1.0
  O  O23  1  0.656  0.623  0.014  1.0
  O  O24  1  0.337  0.888  0.504  1.0
  O  O25  1  0.753  0.315  0.954  1.0
  O  O26  1  0.105  0.174  0.414  1.0
  O  O27  1  0.089  0.689  0.085  1.0
  O  O28  1  0.902  0.836  0.558  1.0
  O  O29  1  0.682  0.018  0.717  1.0
  O  O30  1  0.289  0.449  0.266  1.0
  O  O31  1  0.261  0.947  0.235  1.0
  O  O32  1  0.829  0.574  0.706  1.0
  O  O33  1  0.012  0.730  0.903  1.0
  O  O34  1  0.979  0.771  0.391  1.0
  O  O35  1  0.940  0.294  0.122  1.0
  O  O36  1  0.078  0.227  0.589  1.0
  O  O37  1  0.527  0.800  0.821  1.0
  O  O38  1  0.466  0.688  0.334  1.0
  O  O39  1  0.438  0.192  0.173  1.0
  O  O40  1  0.606  0.317  0.686  1.0
[/CIF]
.