The material described by Ba2Y2Mn4O11 crystallizes in the orthorhombic Cmmm space group. Ba(1) is bonded to two equivalent O(1), two equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Mn(2)O6 octahedra, and faces with four equivalent Mn(1)O5 trigonal bipyramids. Y(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(5), and four equivalent O(4) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(4) atoms to form MnO5 trigonal bipyramids that share corners with three equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(1)O5 trigonal bipyramids, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-17°. In the second Mn site, Mn(2) is bonded to one O(3), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(1)O5 trigonal bipyramids, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-11°. 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), two equivalent Y(1), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Mn(2) atoms. In the third O site, O(3) is bonded to four equivalent Ba(1), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OBa4Mn2 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), one Mn(1), and one Mn(2) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to four equivalent Y(1) and two equivalent Mn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2Y2Mn4O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.850
_cell_length_b   8.185
_cell_length_c   8.774
_cell_angle_alpha   117.809
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   244.573
_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
  Ba  Ba0  1  0.500  0.500  0.500  1.0
  Ba  Ba1  1  0.500  1.000  0.500  1.0
  Y  Y2  1  0.500  0.226  1.000  1.0
  Y  Y3  1  0.500  0.774  1.000  1.0
  Mn  Mn4  1  1.000  0.386  0.772  1.0
  Mn  Mn5  1  0.000  0.614  0.228  1.0
  Mn  Mn6  1  0.000  0.124  0.248  1.0
  Mn  Mn7  1  0.000  0.876  0.752  1.0
  O  O8  1  0.500  0.412  0.824  1.0
  O  O9  1  0.500  0.588  0.176  1.0
  O  O10  1  0.500  0.112  0.224  1.0
  O  O11  1  0.500  0.888  0.776  1.0
  O  O12  1  1.000  0.249  0.497  1.0
  O  O13  1  1.000  0.751  0.503  1.0
  O  O14  1  1.000  0.366  0.199  1.0
  O  O15  1  1.000  0.634  0.801  1.0
  O  O16  1  1.000  0.833  0.199  1.0
  O  O17  1  1.000  0.167  0.801  1.0
  O  O18  1  1.000  0.000  0.000  1.0
[/CIF]
.
The material described by Ba2Y2Mn4O11 crystallizes in the orthorhombic Cmmm space group. Ba(1) is bonded to two equivalent O(1), two equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Mn(2)O6 octahedra, and faces with four equivalent Mn(1)O5 trigonal bipyramids. Y(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(5), and four equivalent O(4) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(4) atoms to form MnO5 trigonal bipyramids that share corners with three equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(1)O5 trigonal bipyramids, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-17°. In the second Mn site, Mn(2) is bonded to one O(3), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(1)O5 trigonal bipyramids, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-11°. 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), two equivalent Y(1), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Mn(2) atoms. In the third O site, O(3) is bonded to four equivalent Ba(1), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OBa4Mn2 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), one Mn(1), and one Mn(2) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to four equivalent Y(1) and two equivalent Mn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2Y2Mn4O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.850
_cell_length_b   8.185
_cell_length_c   8.774
_cell_angle_alpha   117.809
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   244.573
_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
  Ba  Ba0  1  0.500  0.500  0.500  1.0
  Ba  Ba1  1  0.500  1.000  0.500  1.0
  Y  Y2  1  0.500  0.226  1.000  1.0
  Y  Y3  1  0.500  0.774  1.000  1.0
  Mn  Mn4  1  1.000  0.386  0.772  1.0
  Mn  Mn5  1  0.000  0.614  0.228  1.0
  Mn  Mn6  1  0.000  0.124  0.248  1.0
  Mn  Mn7  1  0.000  0.876  0.752  1.0
  O  O8  1  0.500  0.412  0.824  1.0
  O  O9  1  0.500  0.588  0.176  1.0
  O  O10  1  0.500  0.112  0.224  1.0
  O  O11  1  0.500  0.888  0.776  1.0
  O  O12  1  1.000  0.249  0.497  1.0
  O  O13  1  1.000  0.751  0.503  1.0
  O  O14  1  1.000  0.366  0.199  1.0
  O  O15  1  1.000  0.634  0.801  1.0
  O  O16  1  1.000  0.833  0.199  1.0
  O  O17  1  1.000  0.167  0.801  1.0
  O  O18  1  1.000  0.000  0.000  1.0
[/CIF]
.