The compound described by Ba2La2Mn4O11 crystallizes in the orthorhombic Cmmm space group. Ba(1) is bonded to two equivalent O(1), two equivalent O(3), four equivalent O(2), and four equivalent O(5) 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. La(1) is bonded in a distorted q6 geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), and four equivalent O(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(5), two equivalent O(2), and two equivalent O(3) 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 0-14°. In the second Mn site, Mn(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) 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 0-8°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent La(1), and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent La(1), one Mn(1), and one Mn(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent La(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a distorted linear geometry to four equivalent La(1) and two equivalent Mn(2) atoms. In the fifth O site, O(5) 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. is represented by the CIF card [CIF]
data_Ba2La2Mn4O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.915
_cell_length_b   8.280
_cell_length_c   8.898
_cell_angle_alpha   117.728
_cell_angle_beta   89.999
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   255.301
_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  0.000  0.500  1.0
  La  La2  1  0.500  0.232  0.000  1.0
  La  La3  1  0.500  0.768  0.000  1.0
  Mn  Mn4  1  0.000  0.380  0.761  1.0
  Mn  Mn5  1  1.000  0.620  0.239  1.0
  Mn  Mn6  1  0.000  0.125  0.250  1.0
  Mn  Mn7  1  1.000  0.875  0.750  1.0
  O  O8  1  0.500  0.116  0.233  1.0
  O  O9  1  0.500  0.884  0.767  1.0
  O  O10  1  1.000  0.374  0.211  1.0
  O  O11  1  0.000  0.626  0.789  1.0
  O  O12  1  1.000  0.837  0.211  1.0
  O  O13  1  0.000  0.163  0.789  1.0
  O  O14  1  0.500  0.407  0.814  1.0
  O  O15  1  0.500  0.593  0.186  1.0
  O  O16  1  1.000  1.000  1.000  1.0
  O  O17  1  0.000  0.247  0.495  1.0
  O  O18  1  0.000  0.753  0.505  1.0
[/CIF]
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The compound described by Ba2La2Mn4O11 crystallizes in the orthorhombic Cmmm space group. Ba(1) is bonded to two equivalent O(1), two equivalent O(3), four equivalent O(2), and four equivalent O(5) 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. La(1) is bonded in a distorted q6 geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), and four equivalent O(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(5), two equivalent O(2), and two equivalent O(3) 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 0-14°. In the second Mn site, Mn(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) 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 0-8°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent La(1), and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent La(1), one Mn(1), and one Mn(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent La(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a distorted linear geometry to four equivalent La(1) and two equivalent Mn(2) atoms. In the fifth O site, O(5) 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. is represented by the CIF card [CIF]
data_Ba2La2Mn4O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.915
_cell_length_b   8.280
_cell_length_c   8.898
_cell_angle_alpha   117.728
_cell_angle_beta   89.999
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   255.301
_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  0.000  0.500  1.0
  La  La2  1  0.500  0.232  0.000  1.0
  La  La3  1  0.500  0.768  0.000  1.0
  Mn  Mn4  1  0.000  0.380  0.761  1.0
  Mn  Mn5  1  1.000  0.620  0.239  1.0
  Mn  Mn6  1  0.000  0.125  0.250  1.0
  Mn  Mn7  1  1.000  0.875  0.750  1.0
  O  O8  1  0.500  0.116  0.233  1.0
  O  O9  1  0.500  0.884  0.767  1.0
  O  O10  1  1.000  0.374  0.211  1.0
  O  O11  1  0.000  0.626  0.789  1.0
  O  O12  1  1.000  0.837  0.211  1.0
  O  O13  1  0.000  0.163  0.789  1.0
  O  O14  1  0.500  0.407  0.814  1.0
  O  O15  1  0.500  0.593  0.186  1.0
  O  O16  1  1.000  1.000  1.000  1.0
  O  O17  1  0.000  0.247  0.495  1.0
  O  O18  1  0.000  0.753  0.505  1.0
[/CIF]
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