The crystal structure described by BaLa3Mn4O12 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. Ba(1) is bonded in a 12-coordinate geometry to one O(10), one O(11), one O(12), one O(5), one O(6), one O(7), one O(8), one O(9), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 12-coordinate geometry to one O(10), one O(11), one O(12), one O(5), one O(6), one O(7), one O(8), one O(9), two equivalent O(1), and two equivalent O(4) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(10), one O(4), one O(5), one O(6), one O(7), one O(8), one O(9), and two equivalent O(1) atoms. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(11), one O(12), one O(3), one O(5), one O(6), one O(7), one O(8), and two equivalent O(2) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(11), one O(3), one O(6), and one O(7) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 12-24°. In the second Mn site, Mn(2) is bonded to one O(12), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 9-22°. In the third Mn site, Mn(3) is bonded to one O(1), one O(12), one O(3), one O(5), one O(8), and one O(9) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 9-24°. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(11), one O(2), one O(4), one O(6), and one O(7) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 11-23°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent La(1), two equivalent La(2), one Mn(1), and one Mn(3) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent La(3), one Mn(2), and one Mn(4) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one La(3), one Mn(1), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one La(2), two equivalent La(1), one Mn(2), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(1), one La(1), one La(2), one La(3), one Mn(2), and one Mn(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ba(1), one La(1), one La(2), one La(3), one Mn(1), and one Mn(4) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Ba(1), one La(1), one La(2), one La(3), one Mn(1), and one Mn(4) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Ba(1), one La(1), one La(2), one La(3), one Mn(2), and one Mn(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ba(1), one La(1), one La(2), one Mn(2), and one Mn(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ba(1), one La(1), one La(2), one Mn(1), and one Mn(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ba(1), one La(1), one La(3), one Mn(1), and one Mn(4) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Ba(1), one La(1), one La(3), one Mn(2), and one Mn(3) atom. is represented by the CIF card [CIF]
data_BaLa3Mn4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.590
_cell_length_b   7.895
_cell_length_c   5.665
_cell_angle_alpha   90.147
_cell_angle_beta   89.701
_cell_angle_gamma   90.597
_symmetry_Int_Tables_number   1
_cell_volume   249.994
_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  0.498  0.251  0.001  1.0
  La  La1  1  0.005  0.749  0.496  1.0
  La  La2  1  0.502  0.752  0.002  1.0
  La  La3  1  0.998  0.248  0.499  1.0
  Mn  Mn4  1  0.999  0.997  1.000  1.0
  Mn  Mn5  1  0.501  0.501  0.502  1.0
  Mn  Mn6  1  1.000  0.502  0.000  1.0
  Mn  Mn7  1  0.500  0.999  0.497  1.0
  O  O8  1  0.003  0.759  0.066  1.0
  O  O9  1  0.498  0.239  0.533  1.0
  O  O10  1  0.001  0.239  0.926  1.0
  O  O11  1  0.498  0.761  0.436  1.0
  O  O12  1  0.234  0.531  0.710  1.0
  O  O13  1  0.788  0.960  0.735  1.0
  O  O14  1  0.741  0.016  0.221  1.0
  O  O15  1  0.253  0.490  0.220  1.0
  O  O16  1  0.737  0.542  0.791  1.0
  O  O17  1  0.267  0.955  0.785  1.0
  O  O18  1  0.201  0.028  0.276  1.0
  O  O19  1  0.778  0.480  0.306  1.0
[/CIF]
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The crystal structure described by BaLa3Mn4O12 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. Ba(1) is bonded in a 12-coordinate geometry to one O(10), one O(11), one O(12), one O(5), one O(6), one O(7), one O(8), one O(9), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 12-coordinate geometry to one O(10), one O(11), one O(12), one O(5), one O(6), one O(7), one O(8), one O(9), two equivalent O(1), and two equivalent O(4) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(10), one O(4), one O(5), one O(6), one O(7), one O(8), one O(9), and two equivalent O(1) atoms. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(11), one O(12), one O(3), one O(5), one O(6), one O(7), one O(8), and two equivalent O(2) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(11), one O(3), one O(6), and one O(7) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 12-24°. In the second Mn site, Mn(2) is bonded to one O(12), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 9-22°. In the third Mn site, Mn(3) is bonded to one O(1), one O(12), one O(3), one O(5), one O(8), and one O(9) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 9-24°. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(11), one O(2), one O(4), one O(6), and one O(7) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 11-23°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent La(1), two equivalent La(2), one Mn(1), and one Mn(3) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent La(3), one Mn(2), and one Mn(4) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one La(3), one Mn(1), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one La(2), two equivalent La(1), one Mn(2), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(1), one La(1), one La(2), one La(3), one Mn(2), and one Mn(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ba(1), one La(1), one La(2), one La(3), one Mn(1), and one Mn(4) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Ba(1), one La(1), one La(2), one La(3), one Mn(1), and one Mn(4) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Ba(1), one La(1), one La(2), one La(3), one Mn(2), and one Mn(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ba(1), one La(1), one La(2), one Mn(2), and one Mn(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ba(1), one La(1), one La(2), one Mn(1), and one Mn(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ba(1), one La(1), one La(3), one Mn(1), and one Mn(4) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Ba(1), one La(1), one La(3), one Mn(2), and one Mn(3) atom. is represented by the CIF card [CIF]
data_BaLa3Mn4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.590
_cell_length_b   7.895
_cell_length_c   5.665
_cell_angle_alpha   90.147
_cell_angle_beta   89.701
_cell_angle_gamma   90.597
_symmetry_Int_Tables_number   1
_cell_volume   249.994
_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  0.498  0.251  0.001  1.0
  La  La1  1  0.005  0.749  0.496  1.0
  La  La2  1  0.502  0.752  0.002  1.0
  La  La3  1  0.998  0.248  0.499  1.0
  Mn  Mn4  1  0.999  0.997  1.000  1.0
  Mn  Mn5  1  0.501  0.501  0.502  1.0
  Mn  Mn6  1  1.000  0.502  0.000  1.0
  Mn  Mn7  1  0.500  0.999  0.497  1.0
  O  O8  1  0.003  0.759  0.066  1.0
  O  O9  1  0.498  0.239  0.533  1.0
  O  O10  1  0.001  0.239  0.926  1.0
  O  O11  1  0.498  0.761  0.436  1.0
  O  O12  1  0.234  0.531  0.710  1.0
  O  O13  1  0.788  0.960  0.735  1.0
  O  O14  1  0.741  0.016  0.221  1.0
  O  O15  1  0.253  0.490  0.220  1.0
  O  O16  1  0.737  0.542  0.791  1.0
  O  O17  1  0.267  0.955  0.785  1.0
  O  O18  1  0.201  0.028  0.276  1.0
  O  O19  1  0.778  0.480  0.306  1.0
[/CIF]
.