The material described by Ba2Mn2O5 crystallizes in the orthorhombic Ima2 space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(1), and four 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 4°. In the second Mn site, Mn(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form distorted 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 22°. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1) and two equivalent Mn(1) atoms to form a mixture of distorted corner, edge, and face-sharing OBa4Mn2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one Mn(1), and one Mn(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to four equivalent Ba(1) and two equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_Ba2Mn2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.272
_cell_length_b   9.272
_cell_length_c   9.272
_cell_angle_alpha   143.488
_cell_angle_beta   143.439
_cell_angle_gamma   52.630
_symmetry_Int_Tables_number   1
_cell_volume   280.821
_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
  Ba  Ba0  1  0.391  0.888  0.506  1.0
  Ba  Ba1  1  0.618  0.112  0.503  1.0
  Ba  Ba2  1  0.891  0.385  0.503  1.0
  Ba  Ba3  1  0.118  0.615  0.506  1.0
  Mn  Mn4  1  0.005  0.000  0.005  1.0
  Mn  Mn5  1  0.505  0.500  0.005  1.0
  Mn  Mn6  1  0.765  0.799  0.064  1.0
  Mn  Mn7  1  0.265  0.201  0.966  1.0
  O  O8  1  0.760  0.752  0.505  1.0
  O  O9  1  0.752  0.248  0.008  1.0
  O  O10  1  0.260  0.756  0.008  1.0
  O  O11  1  0.252  0.244  0.505  1.0
  O  O12  1  0.854  0.821  0.957  1.0
  O  O13  1  0.137  0.179  0.034  1.0
  O  O14  1  0.354  0.397  0.034  1.0
  O  O15  1  0.637  0.603  0.957  1.0
  O  O16  1  0.054  0.944  0.498  1.0
  O  O17  1  0.554  0.056  0.110  1.0
[/CIF]
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The material described by Ba2Mn2O5 crystallizes in the orthorhombic Ima2 space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(1), and four 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 4°. In the second Mn site, Mn(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form distorted 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 22°. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1) and two equivalent Mn(1) atoms to form a mixture of distorted corner, edge, and face-sharing OBa4Mn2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one Mn(1), and one Mn(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to four equivalent Ba(1) and two equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_Ba2Mn2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.272
_cell_length_b   9.272
_cell_length_c   9.272
_cell_angle_alpha   143.488
_cell_angle_beta   143.439
_cell_angle_gamma   52.630
_symmetry_Int_Tables_number   1
_cell_volume   280.821
_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
  Ba  Ba0  1  0.391  0.888  0.506  1.0
  Ba  Ba1  1  0.618  0.112  0.503  1.0
  Ba  Ba2  1  0.891  0.385  0.503  1.0
  Ba  Ba3  1  0.118  0.615  0.506  1.0
  Mn  Mn4  1  0.005  0.000  0.005  1.0
  Mn  Mn5  1  0.505  0.500  0.005  1.0
  Mn  Mn6  1  0.765  0.799  0.064  1.0
  Mn  Mn7  1  0.265  0.201  0.966  1.0
  O  O8  1  0.760  0.752  0.505  1.0
  O  O9  1  0.752  0.248  0.008  1.0
  O  O10  1  0.260  0.756  0.008  1.0
  O  O11  1  0.252  0.244  0.505  1.0
  O  O12  1  0.854  0.821  0.957  1.0
  O  O13  1  0.137  0.179  0.034  1.0
  O  O14  1  0.354  0.397  0.034  1.0
  O  O15  1  0.637  0.603  0.957  1.0
  O  O16  1  0.054  0.944  0.498  1.0
  O  O17  1  0.554  0.056  0.110  1.0
[/CIF]
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