The structure described by BaLa3Mn4O12 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Im-3m space group. Ba(1) is bonded to twelve equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent La(1)O12 cuboctahedra, faces with six equivalent La(1)O12 cuboctahedra, and faces with eight equivalent Mn(1)O6 octahedra. La(1) is bonded to twelve equivalent O(1) atoms to form LaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with eight equivalent La(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, and faces with eight equivalent Mn(1)O6 octahedra. Mn(1) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 4°. O(1) is bonded in a distorted linear geometry to one Ba(1), three equivalent La(1), and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_BaLa3Mn4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.753
_cell_length_b   6.753
_cell_length_c   6.753
_cell_angle_alpha   70.528
_cell_angle_beta   109.472
_cell_angle_gamma   70.531
_symmetry_Int_Tables_number   1
_cell_volume   237.088
_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  1.000  1.000  1.000  1.0
  La  La1  1  0.500  0.000  0.500  1.0
  La  La2  1  0.000  0.500  0.500  1.0
  La  La3  1  0.500  0.500  1.000  1.0
  Mn  Mn4  1  0.500  0.500  0.500  1.0
  Mn  Mn5  1  0.500  0.000  1.000  1.0
  Mn  Mn6  1  1.000  0.000  0.500  1.0
  Mn  Mn7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.257  0.743  0.513  1.0
  O  O9  1  0.257  0.257  1.000  1.0
  O  O10  1  0.743  0.257  0.487  1.0
  O  O11  1  0.743  0.743  0.000  1.0
  O  O12  1  0.257  0.487  0.257  1.0
  O  O13  1  0.257  1.000  0.743  1.0
  O  O14  1  0.743  0.000  0.257  1.0
  O  O15  1  0.743  0.513  0.743  1.0
  O  O16  1  0.487  0.257  0.743  1.0
  O  O17  1  0.513  0.743  0.257  1.0
  O  O18  1  0.000  0.743  0.743  1.0
  O  O19  1  1.000  0.257  0.257  1.0
[/CIF]
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The structure described by BaLa3Mn4O12 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Im-3m space group. Ba(1) is bonded to twelve equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent La(1)O12 cuboctahedra, faces with six equivalent La(1)O12 cuboctahedra, and faces with eight equivalent Mn(1)O6 octahedra. La(1) is bonded to twelve equivalent O(1) atoms to form LaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with eight equivalent La(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, and faces with eight equivalent Mn(1)O6 octahedra. Mn(1) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 4°. O(1) is bonded in a distorted linear geometry to one Ba(1), three equivalent La(1), and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_BaLa3Mn4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.753
_cell_length_b   6.753
_cell_length_c   6.753
_cell_angle_alpha   70.528
_cell_angle_beta   109.472
_cell_angle_gamma   70.531
_symmetry_Int_Tables_number   1
_cell_volume   237.088
_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  1.000  1.000  1.000  1.0
  La  La1  1  0.500  0.000  0.500  1.0
  La  La2  1  0.000  0.500  0.500  1.0
  La  La3  1  0.500  0.500  1.000  1.0
  Mn  Mn4  1  0.500  0.500  0.500  1.0
  Mn  Mn5  1  0.500  0.000  1.000  1.0
  Mn  Mn6  1  1.000  0.000  0.500  1.0
  Mn  Mn7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.257  0.743  0.513  1.0
  O  O9  1  0.257  0.257  1.000  1.0
  O  O10  1  0.743  0.257  0.487  1.0
  O  O11  1  0.743  0.743  0.000  1.0
  O  O12  1  0.257  0.487  0.257  1.0
  O  O13  1  0.257  1.000  0.743  1.0
  O  O14  1  0.743  0.000  0.257  1.0
  O  O15  1  0.743  0.513  0.743  1.0
  O  O16  1  0.487  0.257  0.743  1.0
  O  O17  1  0.513  0.743  0.257  1.0
  O  O18  1  0.000  0.743  0.743  1.0
  O  O19  1  1.000  0.257  0.257  1.0
[/CIF]
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