The crystal structure described by YBaMn2O6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(4), four equivalent O(3), and four equivalent O(5) atoms. Y(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(4), and four equivalent O(5) atoms. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 7-27°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Y(1), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Y(1) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded to four equivalent Ba(1) and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing OBa4Mn2 octahedra. The corner-sharing octahedral tilt angles are 5°. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Mn(1) atoms. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaYMn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.567
_cell_length_b   5.567
_cell_length_c   7.856
_cell_angle_alpha   89.628
_cell_angle_beta   89.628
_cell_angle_gamma   88.966
_symmetry_Int_Tables_number   1
_cell_volume   243.405
_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  0.247  0.247  0.006  1.0
  Ba  Ba1  1  0.753  0.753  0.994  1.0
  Y  Y2  1  0.769  0.769  0.493  1.0
  Y  Y3  1  0.231  0.231  0.507  1.0
  Mn  Mn4  1  0.747  0.251  0.742  1.0
  Mn  Mn5  1  0.749  0.253  0.258  1.0
  Mn  Mn6  1  0.253  0.749  0.258  1.0
  Mn  Mn7  1  0.251  0.747  0.742  1.0
  O  O8  1  0.032  0.032  0.757  1.0
  O  O9  1  0.968  0.968  0.243  1.0
  O  O10  1  0.806  0.194  0.500  1.0
  O  O11  1  0.731  0.269  0.000  1.0
  O  O12  1  0.534  0.534  0.306  1.0
  O  O13  1  0.967  0.529  0.714  1.0
  O  O14  1  0.194  0.806  0.500  1.0
  O  O15  1  0.269  0.731  0.000  1.0
  O  O16  1  0.033  0.471  0.286  1.0
  O  O17  1  0.529  0.967  0.714  1.0
  O  O18  1  0.466  0.466  0.694  1.0
  O  O19  1  0.471  0.033  0.286  1.0
[/CIF]
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The crystal structure described by YBaMn2O6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(4), four equivalent O(3), and four equivalent O(5) atoms. Y(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(4), and four equivalent O(5) atoms. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 7-27°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Y(1), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Y(1) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded to four equivalent Ba(1) and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing OBa4Mn2 octahedra. The corner-sharing octahedral tilt angles are 5°. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Mn(1) atoms. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaYMn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.567
_cell_length_b   5.567
_cell_length_c   7.856
_cell_angle_alpha   89.628
_cell_angle_beta   89.628
_cell_angle_gamma   88.966
_symmetry_Int_Tables_number   1
_cell_volume   243.405
_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  0.247  0.247  0.006  1.0
  Ba  Ba1  1  0.753  0.753  0.994  1.0
  Y  Y2  1  0.769  0.769  0.493  1.0
  Y  Y3  1  0.231  0.231  0.507  1.0
  Mn  Mn4  1  0.747  0.251  0.742  1.0
  Mn  Mn5  1  0.749  0.253  0.258  1.0
  Mn  Mn6  1  0.253  0.749  0.258  1.0
  Mn  Mn7  1  0.251  0.747  0.742  1.0
  O  O8  1  0.032  0.032  0.757  1.0
  O  O9  1  0.968  0.968  0.243  1.0
  O  O10  1  0.806  0.194  0.500  1.0
  O  O11  1  0.731  0.269  0.000  1.0
  O  O12  1  0.534  0.534  0.306  1.0
  O  O13  1  0.967  0.529  0.714  1.0
  O  O14  1  0.194  0.806  0.500  1.0
  O  O15  1  0.269  0.731  0.000  1.0
  O  O16  1  0.033  0.471  0.286  1.0
  O  O17  1  0.529  0.967  0.714  1.0
  O  O18  1  0.466  0.466  0.694  1.0
  O  O19  1  0.471  0.033  0.286  1.0
[/CIF]
.