The structure described by La2CrMnO6 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(3), three equivalent O(1), and three equivalent O(2) atoms. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-27°. 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 Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-27°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent La(1), one Cr(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent La(1), one Cr(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent La(1), one Cr(1), and one Mn(1) atom. is represented by the CIF card [CIF]
data_La2MnCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.628
_cell_length_b   7.714
_cell_length_c   5.733
_cell_angle_alpha   89.997
_cell_angle_beta   89.981
_cell_angle_gamma   89.380
_symmetry_Int_Tables_number   1
_cell_volume   248.862
_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  0.750  0.543  1.0
  La  La1  1  0.009  0.750  0.043  1.0
  La  La2  1  0.509  0.250  0.457  1.0
  La  La3  1  0.991  0.250  0.957  1.0
  Mn  Mn4  1  1.000  0.500  0.500  1.0
  Mn  Mn5  1  0.500  0.000  0.000  1.0
  Cr  Cr6  1  0.500  0.500  0.000  1.0
  Cr  Cr7  1  1.000  1.000  0.500  1.0
  O  O8  1  0.712  0.042  0.701  1.0
  O  O9  1  0.788  0.458  0.201  1.0
  O  O10  1  0.288  0.958  0.299  1.0
  O  O11  1  0.212  0.542  0.799  1.0
  O  O12  1  0.297  0.541  0.290  1.0
  O  O13  1  0.202  0.959  0.790  1.0
  O  O14  1  0.703  0.459  0.710  1.0
  O  O15  1  0.797  0.041  0.210  1.0
  O  O16  1  0.922  0.743  0.480  1.0
  O  O17  1  0.577  0.757  0.980  1.0
  O  O18  1  0.077  0.257  0.520  1.0
  O  O19  1  0.423  0.243  0.020  1.0
[/CIF]
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The structure described by La2CrMnO6 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(3), three equivalent O(1), and three equivalent O(2) atoms. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-27°. 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 Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-27°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent La(1), one Cr(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent La(1), one Cr(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent La(1), one Cr(1), and one Mn(1) atom. is represented by the CIF card [CIF]
data_La2MnCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.628
_cell_length_b   7.714
_cell_length_c   5.733
_cell_angle_alpha   89.997
_cell_angle_beta   89.981
_cell_angle_gamma   89.380
_symmetry_Int_Tables_number   1
_cell_volume   248.862
_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  0.750  0.543  1.0
  La  La1  1  0.009  0.750  0.043  1.0
  La  La2  1  0.509  0.250  0.457  1.0
  La  La3  1  0.991  0.250  0.957  1.0
  Mn  Mn4  1  1.000  0.500  0.500  1.0
  Mn  Mn5  1  0.500  0.000  0.000  1.0
  Cr  Cr6  1  0.500  0.500  0.000  1.0
  Cr  Cr7  1  1.000  1.000  0.500  1.0
  O  O8  1  0.712  0.042  0.701  1.0
  O  O9  1  0.788  0.458  0.201  1.0
  O  O10  1  0.288  0.958  0.299  1.0
  O  O11  1  0.212  0.542  0.799  1.0
  O  O12  1  0.297  0.541  0.290  1.0
  O  O13  1  0.202  0.959  0.790  1.0
  O  O14  1  0.703  0.459  0.710  1.0
  O  O15  1  0.797  0.041  0.210  1.0
  O  O16  1  0.922  0.743  0.480  1.0
  O  O17  1  0.577  0.757  0.980  1.0
  O  O18  1  0.077  0.257  0.520  1.0
  O  O19  1  0.423  0.243  0.020  1.0
[/CIF]
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