The material structure described by BaLa3Mn4O12 crystallizes in the trigonal R-3c space group. Ba(1) is bonded to three equivalent O(1), three equivalent O(3), and six equivalent O(2) atoms to form distorted BaO12 cuboctahedra that share faces with two equivalent Mn(2)O6 octahedra and faces with six equivalent Mn(1)O6 octahedra. La(1) is bonded in a 12-coordinate geometry to three equivalent O(1), three equivalent O(3), and six equivalent O(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-19°. In the second Mn site, Mn(2) is bonded to six equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 19°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ba(1), three equivalent La(1), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(1), three 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 one Ba(1), three equivalent La(1), and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_BaLa3Mn4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.936
_cell_length_b   7.936
_cell_length_c   7.936
_cell_angle_alpha   90.410
_cell_angle_beta   90.410
_cell_angle_gamma   90.410
_symmetry_Int_Tables_number   1
_cell_volume   499.848
_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  0.750  0.750  0.750  1.0
  Ba  Ba1  1  0.250  0.250  0.250  1.0
  La  La2  1  0.254  0.750  0.246  1.0
  La  La3  1  0.750  0.246  0.254  1.0
  La  La4  1  0.746  0.250  0.754  1.0
  La  La5  1  0.246  0.254  0.750  1.0
  La  La6  1  0.250  0.754  0.746  1.0
  La  La7  1  0.754  0.746  0.250  1.0
  Mn  Mn8  1  0.000  0.500  0.000  1.0
  Mn  Mn9  1  0.500  0.000  0.000  1.0
  Mn  Mn10  1  0.500  0.000  0.500  1.0
  Mn  Mn11  1  0.000  0.000  0.500  1.0
  Mn  Mn12  1  0.000  0.500  0.500  1.0
  Mn  Mn13  1  0.500  0.500  0.500  1.0
  Mn  Mn14  1  0.500  0.500  0.000  1.0
  Mn  Mn15  1  0.000  0.000  0.000  1.0
  O  O16  1  0.250  0.013  0.487  1.0
  O  O17  1  0.535  0.251  0.479  1.0
  O  O18  1  0.749  0.521  0.465  1.0
  O  O19  1  0.027  0.750  0.473  1.0
  O  O20  1  0.521  0.465  0.749  1.0
  O  O21  1  0.987  0.513  0.750  1.0
  O  O22  1  0.250  0.527  0.973  1.0
  O  O23  1  0.035  0.979  0.751  1.0
  O  O24  1  0.513  0.750  0.987  1.0
  O  O25  1  0.473  0.027  0.750  1.0
  O  O26  1  0.979  0.751  0.035  1.0
  O  O27  1  0.249  0.965  0.021  1.0
  O  O28  1  0.751  0.035  0.979  1.0
  O  O29  1  0.021  0.249  0.965  1.0
  O  O30  1  0.527  0.973  0.250  1.0
  O  O31  1  0.487  0.250  0.013  1.0
  O  O32  1  0.965  0.021  0.249  1.0
  O  O33  1  0.750  0.473  0.027  1.0
  O  O34  1  0.013  0.487  0.250  1.0
  O  O35  1  0.479  0.535  0.251  1.0
  O  O36  1  0.973  0.250  0.527  1.0
  O  O37  1  0.251  0.479  0.535  1.0
  O  O38  1  0.465  0.749  0.521  1.0
  O  O39  1  0.750  0.987  0.513  1.0
[/CIF]
.
The material structure described by BaLa3Mn4O12 crystallizes in the trigonal R-3c space group. Ba(1) is bonded to three equivalent O(1), three equivalent O(3), and six equivalent O(2) atoms to form distorted BaO12 cuboctahedra that share faces with two equivalent Mn(2)O6 octahedra and faces with six equivalent Mn(1)O6 octahedra. La(1) is bonded in a 12-coordinate geometry to three equivalent O(1), three equivalent O(3), and six equivalent O(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-19°. In the second Mn site, Mn(2) is bonded to six equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 19°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ba(1), three equivalent La(1), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(1), three 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 one Ba(1), three equivalent La(1), and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_BaLa3Mn4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.936
_cell_length_b   7.936
_cell_length_c   7.936
_cell_angle_alpha   90.410
_cell_angle_beta   90.410
_cell_angle_gamma   90.410
_symmetry_Int_Tables_number   1
_cell_volume   499.848
_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  0.750  0.750  0.750  1.0
  Ba  Ba1  1  0.250  0.250  0.250  1.0
  La  La2  1  0.254  0.750  0.246  1.0
  La  La3  1  0.750  0.246  0.254  1.0
  La  La4  1  0.746  0.250  0.754  1.0
  La  La5  1  0.246  0.254  0.750  1.0
  La  La6  1  0.250  0.754  0.746  1.0
  La  La7  1  0.754  0.746  0.250  1.0
  Mn  Mn8  1  0.000  0.500  0.000  1.0
  Mn  Mn9  1  0.500  0.000  0.000  1.0
  Mn  Mn10  1  0.500  0.000  0.500  1.0
  Mn  Mn11  1  0.000  0.000  0.500  1.0
  Mn  Mn12  1  0.000  0.500  0.500  1.0
  Mn  Mn13  1  0.500  0.500  0.500  1.0
  Mn  Mn14  1  0.500  0.500  0.000  1.0
  Mn  Mn15  1  0.000  0.000  0.000  1.0
  O  O16  1  0.250  0.013  0.487  1.0
  O  O17  1  0.535  0.251  0.479  1.0
  O  O18  1  0.749  0.521  0.465  1.0
  O  O19  1  0.027  0.750  0.473  1.0
  O  O20  1  0.521  0.465  0.749  1.0
  O  O21  1  0.987  0.513  0.750  1.0
  O  O22  1  0.250  0.527  0.973  1.0
  O  O23  1  0.035  0.979  0.751  1.0
  O  O24  1  0.513  0.750  0.987  1.0
  O  O25  1  0.473  0.027  0.750  1.0
  O  O26  1  0.979  0.751  0.035  1.0
  O  O27  1  0.249  0.965  0.021  1.0
  O  O28  1  0.751  0.035  0.979  1.0
  O  O29  1  0.021  0.249  0.965  1.0
  O  O30  1  0.527  0.973  0.250  1.0
  O  O31  1  0.487  0.250  0.013  1.0
  O  O32  1  0.965  0.021  0.249  1.0
  O  O33  1  0.750  0.473  0.027  1.0
  O  O34  1  0.013  0.487  0.250  1.0
  O  O35  1  0.479  0.535  0.251  1.0
  O  O36  1  0.973  0.250  0.527  1.0
  O  O37  1  0.251  0.479  0.535  1.0
  O  O38  1  0.465  0.749  0.521  1.0
  O  O39  1  0.750  0.987  0.513  1.0
[/CIF]
.