The material described by La2VMnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. La(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-31°. 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 six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-31°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(1), one V(1), and one Mn(1) atom to form distorted corner-sharing OLa2MnV tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent La(1), one V(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent La(1), one V(1), and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_La2MnVO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.626
_cell_length_b   8.025
_cell_length_c   5.702
_cell_angle_alpha   90.010
_cell_angle_beta   89.963
_cell_angle_gamma   89.951
_symmetry_Int_Tables_number   1
_cell_volume   257.458
_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
  La  La0  1  0.491  0.752  0.453  1.0
  La  La1  1  0.509  0.248  0.547  1.0
  La  La2  1  0.009  0.748  0.953  1.0
  La  La3  1  0.991  0.252  0.047  1.0
  Mn  Mn4  1  1.000  0.500  0.500  1.0
  Mn  Mn5  1  0.500  0.000  1.000  1.0
  V  V6  1  0.500  0.500  0.000  1.0
  V  V7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.407  0.260  0.973  1.0
  O  O9  1  0.907  0.760  0.527  1.0
  O  O10  1  0.593  0.740  0.027  1.0
  O  O11  1  0.093  0.240  0.473  1.0
  O  O12  1  0.715  0.047  0.307  1.0
  O  O13  1  0.785  0.453  0.808  1.0
  O  O14  1  0.285  0.953  0.693  1.0
  O  O15  1  0.215  0.547  0.192  1.0
  O  O16  1  0.310  0.552  0.722  1.0
  O  O17  1  0.810  0.052  0.778  1.0
  O  O18  1  0.190  0.948  0.222  1.0
  O  O19  1  0.690  0.448  0.278  1.0
[/CIF]
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The material described by La2VMnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. La(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-31°. 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 six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-31°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(1), one V(1), and one Mn(1) atom to form distorted corner-sharing OLa2MnV tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent La(1), one V(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent La(1), one V(1), and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_La2MnVO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.626
_cell_length_b   8.025
_cell_length_c   5.702
_cell_angle_alpha   90.010
_cell_angle_beta   89.963
_cell_angle_gamma   89.951
_symmetry_Int_Tables_number   1
_cell_volume   257.458
_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
  La  La0  1  0.491  0.752  0.453  1.0
  La  La1  1  0.509  0.248  0.547  1.0
  La  La2  1  0.009  0.748  0.953  1.0
  La  La3  1  0.991  0.252  0.047  1.0
  Mn  Mn4  1  1.000  0.500  0.500  1.0
  Mn  Mn5  1  0.500  0.000  1.000  1.0
  V  V6  1  0.500  0.500  0.000  1.0
  V  V7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.407  0.260  0.973  1.0
  O  O9  1  0.907  0.760  0.527  1.0
  O  O10  1  0.593  0.740  0.027  1.0
  O  O11  1  0.093  0.240  0.473  1.0
  O  O12  1  0.715  0.047  0.307  1.0
  O  O13  1  0.785  0.453  0.808  1.0
  O  O14  1  0.285  0.953  0.693  1.0
  O  O15  1  0.215  0.547  0.192  1.0
  O  O16  1  0.310  0.552  0.722  1.0
  O  O17  1  0.810  0.052  0.778  1.0
  O  O18  1  0.190  0.948  0.222  1.0
  O  O19  1  0.690  0.448  0.278  1.0
[/CIF]
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