The crystal structure described by Nd3LaMn4O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. In the third Nd site, Nd(3) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms. La(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 29-33°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 29-32°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Nd(1), one La(1), and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Nd(1), one La(1), and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Nd(2), one Nd(3), and two equivalent Mn(2) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Nd(2), one Nd(3), and two equivalent Mn(1) atoms. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Nd(1), one Nd(3), one La(1), one Mn(1), and one Mn(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Nd(1), one Nd(2), one La(1), one Mn(1), and one Mn(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Nd(1), one Nd(2), one Nd(3), one Mn(1), and one Mn(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Nd(2), one Nd(3), one La(1), one Mn(1), and one Mn(2) atom. is represented by the CIF card [CIF]
data_LaNd3Mn4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.725
_cell_length_b   5.527
_cell_length_c   5.865
_cell_angle_alpha   89.984
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   250.396
_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
  La  La0  1  0.500  0.488  0.559  1.0
  Nd  Nd1  1  0.500  0.015  0.066  1.0
  Nd  Nd2  1  0.000  0.516  0.432  1.0
  Nd  Nd3  1  0.000  0.985  0.935  1.0
  Mn  Mn4  1  0.249  0.001  0.501  1.0
  Mn  Mn5  1  0.751  0.499  0.999  1.0
  Mn  Mn6  1  0.751  0.001  0.501  1.0
  Mn  Mn7  1  0.249  0.499  0.999  1.0
  O  O8  1  0.500  0.596  0.978  1.0
  O  O9  1  0.500  0.912  0.474  1.0
  O  O10  1  0.000  0.403  0.026  1.0
  O  O11  1  0.000  0.098  0.528  1.0
  O  O12  1  0.297  0.213  0.814  1.0
  O  O13  1  0.705  0.282  0.309  1.0
  O  O14  1  0.799  0.782  0.190  1.0
  O  O15  1  0.200  0.717  0.689  1.0
  O  O16  1  0.201  0.782  0.190  1.0
  O  O17  1  0.800  0.717  0.689  1.0
  O  O18  1  0.703  0.213  0.814  1.0
  O  O19  1  0.295  0.282  0.309  1.0
[/CIF]
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The crystal structure described by Nd3LaMn4O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. In the third Nd site, Nd(3) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms. La(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 29-33°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 29-32°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Nd(1), one La(1), and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Nd(1), one La(1), and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Nd(2), one Nd(3), and two equivalent Mn(2) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Nd(2), one Nd(3), and two equivalent Mn(1) atoms. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Nd(1), one Nd(3), one La(1), one Mn(1), and one Mn(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Nd(1), one Nd(2), one La(1), one Mn(1), and one Mn(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Nd(1), one Nd(2), one Nd(3), one Mn(1), and one Mn(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Nd(2), one Nd(3), one La(1), one Mn(1), and one Mn(2) atom. is represented by the CIF card [CIF]
data_LaNd3Mn4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.725
_cell_length_b   5.527
_cell_length_c   5.865
_cell_angle_alpha   89.984
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   250.396
_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
  La  La0  1  0.500  0.488  0.559  1.0
  Nd  Nd1  1  0.500  0.015  0.066  1.0
  Nd  Nd2  1  0.000  0.516  0.432  1.0
  Nd  Nd3  1  0.000  0.985  0.935  1.0
  Mn  Mn4  1  0.249  0.001  0.501  1.0
  Mn  Mn5  1  0.751  0.499  0.999  1.0
  Mn  Mn6  1  0.751  0.001  0.501  1.0
  Mn  Mn7  1  0.249  0.499  0.999  1.0
  O  O8  1  0.500  0.596  0.978  1.0
  O  O9  1  0.500  0.912  0.474  1.0
  O  O10  1  0.000  0.403  0.026  1.0
  O  O11  1  0.000  0.098  0.528  1.0
  O  O12  1  0.297  0.213  0.814  1.0
  O  O13  1  0.705  0.282  0.309  1.0
  O  O14  1  0.799  0.782  0.190  1.0
  O  O15  1  0.200  0.717  0.689  1.0
  O  O16  1  0.201  0.782  0.190  1.0
  O  O17  1  0.800  0.717  0.689  1.0
  O  O18  1  0.703  0.213  0.814  1.0
  O  O19  1  0.295  0.282  0.309  1.0
[/CIF]
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