The material described by MgMn2(SO5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(4), one O(6), one O(7), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent S(1)O4 tetrahedra, and corners with two equivalent S(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-45°. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(2), one O(3), one O(5), and one O(8) atom to form distorted MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent S(1)O4 tetrahedra, and corners with two equivalent S(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-45°. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(3), one O(4), one O(7), and one O(8) atom to form SO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-55°. In the second S site, S(2) is bonded to one O(10), one O(5), one O(6), and one O(9) atom to form SO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-49°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one Mn(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mn(2) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mn(1), and one S(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(2), and one S(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(1), and one S(2) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(1), and one S(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(2), and one S(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mn(1) and one S(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Mn(2) and one S(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn2(SO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.607
_cell_length_b   5.287
_cell_length_c   7.625
_cell_angle_alpha   68.918
_cell_angle_beta   114.170
_cell_angle_gamma   84.542
_symmetry_Int_Tables_number   1
_cell_volume   184.446
_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  0.595  0.527  0.708  1.0
  Mn  Mn1  1  0.005  0.501  0.495  1.0
  Mn  Mn2  1  0.506  0.994  0.018  1.0
  S  S3  1  0.888  0.911  0.759  1.0
  S  S4  1  0.132  0.093  0.255  1.0
  O  O5  1  0.334  0.335  0.760  1.0
  O  O6  1  0.675  0.656  0.255  1.0
  O  O7  1  0.179  0.813  0.910  1.0
  O  O8  1  0.794  0.230  0.647  1.0
  O  O9  1  0.844  0.165  0.082  1.0
  O  O10  1  0.226  0.778  0.404  1.0
  O  O11  1  0.827  0.788  0.600  1.0
  O  O12  1  0.715  0.805  0.860  1.0
  O  O13  1  0.149  0.243  0.386  1.0
  O  O14  1  0.306  0.162  0.156  1.0
[/CIF]
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The material described by MgMn2(SO5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(4), one O(6), one O(7), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent S(1)O4 tetrahedra, and corners with two equivalent S(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-45°. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(2), one O(3), one O(5), and one O(8) atom to form distorted MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent S(1)O4 tetrahedra, and corners with two equivalent S(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-45°. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(3), one O(4), one O(7), and one O(8) atom to form SO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-55°. In the second S site, S(2) is bonded to one O(10), one O(5), one O(6), and one O(9) atom to form SO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-49°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one Mn(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mn(2) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mn(1), and one S(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(2), and one S(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(1), and one S(2) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(1), and one S(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(2), and one S(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mn(1) and one S(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Mn(2) and one S(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn2(SO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.607
_cell_length_b   5.287
_cell_length_c   7.625
_cell_angle_alpha   68.918
_cell_angle_beta   114.170
_cell_angle_gamma   84.542
_symmetry_Int_Tables_number   1
_cell_volume   184.446
_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  0.595  0.527  0.708  1.0
  Mn  Mn1  1  0.005  0.501  0.495  1.0
  Mn  Mn2  1  0.506  0.994  0.018  1.0
  S  S3  1  0.888  0.911  0.759  1.0
  S  S4  1  0.132  0.093  0.255  1.0
  O  O5  1  0.334  0.335  0.760  1.0
  O  O6  1  0.675  0.656  0.255  1.0
  O  O7  1  0.179  0.813  0.910  1.0
  O  O8  1  0.794  0.230  0.647  1.0
  O  O9  1  0.844  0.165  0.082  1.0
  O  O10  1  0.226  0.778  0.404  1.0
  O  O11  1  0.827  0.788  0.600  1.0
  O  O12  1  0.715  0.805  0.860  1.0
  O  O13  1  0.149  0.243  0.386  1.0
  O  O14  1  0.306  0.162  0.156  1.0
[/CIF]
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