The compound described by MgSc2Mn4O10 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form distorted MgO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with six equivalent Sc(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and faces with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-70°. Sc(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form distorted ScO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Sc(1)O6 octahedra, corners with three equivalent Mg(1)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-60°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(5), two equivalent O(2), and three equivalent O(3) atoms to form distorted MnO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Sc(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, edges with three equivalent Sc(1)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-70°. In the second Mn site, Mn(2) is bonded to one O(5), two equivalent O(1), and three equivalent O(4) atoms to form MnO6 octahedra that share  a cornercorner with one Sc(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, edges with three equivalent Sc(1)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-52°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Sc(1) and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Sc(1), and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded to one Mg(1), one Sc(1), and three equivalent Mn(1) atoms to form distorted OMgScMn3 trigonal bipyramids that share corners with three equivalent O(3)MgScMn3 trigonal bipyramids,  a cornercorner with one O(5)Sc2Mn2 trigonal pyramid,  a cornercorner with one O(4)ScMn3 trigonal pyramid, edges with two equivalent O(3)MgScMn3 trigonal bipyramids, and edges with two equivalent O(5)Sc2Mn2 trigonal pyramids. In the fourth O site, O(4) is bonded to one Sc(1) and three equivalent Mn(2) atoms to form OScMn3 trigonal pyramids that share  a cornercorner with one O(3)MgScMn3 trigonal bipyramid,  a cornercorner with one O(5)Sc2Mn2 trigonal pyramid, corners with two equivalent O(4)ScMn3 trigonal pyramids, edges with two equivalent O(5)Sc2Mn2 trigonal pyramids, and edges with two equivalent O(4)ScMn3 trigonal pyramids. In the fifth O site, O(5) is bonded to two equivalent Sc(1), one Mn(1), and one Mn(2) atom to form distorted OSc2Mn2 trigonal pyramids that share  a cornercorner with one O(3)MgScMn3 trigonal bipyramid,  a cornercorner with one O(4)ScMn3 trigonal pyramid, corners with two equivalent O(5)Sc2Mn2 trigonal pyramids, edges with two equivalent O(3)MgScMn3 trigonal bipyramids, and edges with two equivalent O(4)ScMn3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSc2Mn4O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.465
_cell_length_b   5.465
_cell_length_c   10.134
_cell_angle_alpha   87.738
_cell_angle_beta   87.738
_cell_angle_gamma   43.122
_symmetry_Int_Tables_number   1
_cell_volume   206.720
_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  0.500  0.500  0.500  1.0
  Sc  Sc1  1  0.192  0.192  0.241  1.0
  Sc  Sc2  1  0.808  0.808  0.759  1.0
  Mn  Mn3  1  0.155  0.155  0.583  1.0
  Mn  Mn4  1  0.139  0.139  0.948  1.0
  Mn  Mn5  1  0.861  0.861  0.052  1.0
  Mn  Mn6  1  0.845  0.845  0.417  1.0
  O  O7  1  0.041  0.041  0.115  1.0
  O  O8  1  0.062  0.062  0.396  1.0
  O  O9  1  0.329  0.329  0.418  1.0
  O  O10  1  0.306  0.306  0.051  1.0
  O  O11  1  0.764  0.764  0.235  1.0
  O  O12  1  0.938  0.938  0.604  1.0
  O  O13  1  0.671  0.671  0.582  1.0
  O  O14  1  0.236  0.236  0.765  1.0
  O  O15  1  0.959  0.959  0.885  1.0
  O  O16  1  0.694  0.694  0.949  1.0
[/CIF]
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The compound described by MgSc2Mn4O10 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form distorted MgO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with six equivalent Sc(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and faces with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-70°. Sc(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form distorted ScO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Sc(1)O6 octahedra, corners with three equivalent Mg(1)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-60°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(5), two equivalent O(2), and three equivalent O(3) atoms to form distorted MnO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Sc(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, edges with three equivalent Sc(1)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-70°. In the second Mn site, Mn(2) is bonded to one O(5), two equivalent O(1), and three equivalent O(4) atoms to form MnO6 octahedra that share  a cornercorner with one Sc(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, edges with three equivalent Sc(1)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-52°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Sc(1) and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Sc(1), and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded to one Mg(1), one Sc(1), and three equivalent Mn(1) atoms to form distorted OMgScMn3 trigonal bipyramids that share corners with three equivalent O(3)MgScMn3 trigonal bipyramids,  a cornercorner with one O(5)Sc2Mn2 trigonal pyramid,  a cornercorner with one O(4)ScMn3 trigonal pyramid, edges with two equivalent O(3)MgScMn3 trigonal bipyramids, and edges with two equivalent O(5)Sc2Mn2 trigonal pyramids. In the fourth O site, O(4) is bonded to one Sc(1) and three equivalent Mn(2) atoms to form OScMn3 trigonal pyramids that share  a cornercorner with one O(3)MgScMn3 trigonal bipyramid,  a cornercorner with one O(5)Sc2Mn2 trigonal pyramid, corners with two equivalent O(4)ScMn3 trigonal pyramids, edges with two equivalent O(5)Sc2Mn2 trigonal pyramids, and edges with two equivalent O(4)ScMn3 trigonal pyramids. In the fifth O site, O(5) is bonded to two equivalent Sc(1), one Mn(1), and one Mn(2) atom to form distorted OSc2Mn2 trigonal pyramids that share  a cornercorner with one O(3)MgScMn3 trigonal bipyramid,  a cornercorner with one O(4)ScMn3 trigonal pyramid, corners with two equivalent O(5)Sc2Mn2 trigonal pyramids, edges with two equivalent O(3)MgScMn3 trigonal bipyramids, and edges with two equivalent O(4)ScMn3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSc2Mn4O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.465
_cell_length_b   5.465
_cell_length_c   10.134
_cell_angle_alpha   87.738
_cell_angle_beta   87.738
_cell_angle_gamma   43.122
_symmetry_Int_Tables_number   1
_cell_volume   206.720
_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  0.500  0.500  0.500  1.0
  Sc  Sc1  1  0.192  0.192  0.241  1.0
  Sc  Sc2  1  0.808  0.808  0.759  1.0
  Mn  Mn3  1  0.155  0.155  0.583  1.0
  Mn  Mn4  1  0.139  0.139  0.948  1.0
  Mn  Mn5  1  0.861  0.861  0.052  1.0
  Mn  Mn6  1  0.845  0.845  0.417  1.0
  O  O7  1  0.041  0.041  0.115  1.0
  O  O8  1  0.062  0.062  0.396  1.0
  O  O9  1  0.329  0.329  0.418  1.0
  O  O10  1  0.306  0.306  0.051  1.0
  O  O11  1  0.764  0.764  0.235  1.0
  O  O12  1  0.938  0.938  0.604  1.0
  O  O13  1  0.671  0.671  0.582  1.0
  O  O14  1  0.236  0.236  0.765  1.0
  O  O15  1  0.959  0.959  0.885  1.0
  O  O16  1  0.694  0.694  0.949  1.0
[/CIF]
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