The compound described by Sm2Mn2O5 is Aluminum carbonitride-like structured and crystallizes in the orthorhombic Ima2 space group. Sm(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 29°. In the second Mn site, Mn(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form MnO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sm(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded to two equivalent Sm(1), one Mn(1), and one Mn(2) atom to form distorted corner-sharing OSm2Mn2 trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Sm(1) and two equivalent Mn(2) atoms to form corner-sharing OSm2Mn2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm2Mn2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.687
_cell_length_b   8.687
_cell_length_c   8.687
_cell_angle_alpha   141.568
_cell_angle_beta   140.793
_cell_angle_gamma   56.068
_symmetry_Int_Tables_number   1
_cell_volume   255.574
_cell_formula_units_Z   2
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
  Sm  Sm0  1  0.900  0.365  0.492  1.0
  Sm  Sm1  1  0.100  0.592  0.465  1.0
  Sm  Sm2  1  0.373  0.865  0.465  1.0
  Sm  Sm3  1  0.627  0.092  0.492  1.0
  Mn  Mn4  1  0.000  0.999  0.999  1.0
  Mn  Mn5  1  0.500  0.499  0.999  1.0
  Mn  Mn6  1  0.710  0.713  0.923  1.0
  Mn  Mn7  1  0.290  0.213  0.002  1.0
  O  O8  1  0.300  0.269  0.502  1.0
  O  O9  1  0.700  0.203  0.970  1.0
  O  O10  1  0.267  0.769  0.970  1.0
  O  O11  1  0.733  0.703  0.502  1.0
  O  O12  1  0.976  0.949  0.208  1.0
  O  O13  1  0.024  0.233  0.973  1.0
  O  O14  1  0.240  0.449  0.973  1.0
  O  O15  1  0.760  0.733  0.208  1.0
  O  O16  1  0.635  0.343  0.477  1.0
  O  O17  1  0.365  0.843  0.708  1.0
[/CIF]
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The compound described by Sm2Mn2O5 is Aluminum carbonitride-like structured and crystallizes in the orthorhombic Ima2 space group. Sm(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 29°. In the second Mn site, Mn(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form MnO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sm(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded to two equivalent Sm(1), one Mn(1), and one Mn(2) atom to form distorted corner-sharing OSm2Mn2 trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Sm(1) and two equivalent Mn(2) atoms to form corner-sharing OSm2Mn2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm2Mn2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.687
_cell_length_b   8.687
_cell_length_c   8.687
_cell_angle_alpha   141.568
_cell_angle_beta   140.793
_cell_angle_gamma   56.068
_symmetry_Int_Tables_number   1
_cell_volume   255.574
_cell_formula_units_Z   2
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
  Sm  Sm0  1  0.900  0.365  0.492  1.0
  Sm  Sm1  1  0.100  0.592  0.465  1.0
  Sm  Sm2  1  0.373  0.865  0.465  1.0
  Sm  Sm3  1  0.627  0.092  0.492  1.0
  Mn  Mn4  1  0.000  0.999  0.999  1.0
  Mn  Mn5  1  0.500  0.499  0.999  1.0
  Mn  Mn6  1  0.710  0.713  0.923  1.0
  Mn  Mn7  1  0.290  0.213  0.002  1.0
  O  O8  1  0.300  0.269  0.502  1.0
  O  O9  1  0.700  0.203  0.970  1.0
  O  O10  1  0.267  0.769  0.970  1.0
  O  O11  1  0.733  0.703  0.502  1.0
  O  O12  1  0.976  0.949  0.208  1.0
  O  O13  1  0.024  0.233  0.973  1.0
  O  O14  1  0.240  0.449  0.973  1.0
  O  O15  1  0.760  0.733  0.208  1.0
  O  O16  1  0.635  0.343  0.477  1.0
  O  O17  1  0.365  0.843  0.708  1.0
[/CIF]
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