The compound described by Y2CrMnO6 crystallizes in the monoclinic P2_1/c space group. Y(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 35-39°. 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 35-39°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Y(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 Y(1), one Cr(1), and one Mn(1) atom. In the third O site, O(3) is bonded to two equivalent Y(1), one Cr(1), and one Mn(1) atom to form distorted corner-sharing OY2MnCr trigonal pyramids. is represented by the CIF file [CIF]
data_Y2MnCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.741
_cell_length_b   5.369
_cell_length_c   9.185
_cell_angle_alpha   54.603
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   230.793
_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
  Y  Y0  1  0.074  0.730  0.751  1.0
  Y  Y1  1  0.574  0.270  0.749  1.0
  Y  Y2  1  0.926  0.270  0.249  1.0
  Y  Y3  1  0.426  0.730  0.251  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  Mn  Mn5  1  0.500  0.000  0.500  1.0
  Cr  Cr6  1  0.500  0.500  0.000  1.0
  Cr  Cr7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.316  0.257  0.940  1.0
  O  O9  1  0.816  0.743  0.560  1.0
  O  O10  1  0.684  0.743  0.060  1.0
  O  O11  1  0.184  0.257  0.440  1.0
  O  O12  1  0.194  0.636  0.054  1.0
  O  O13  1  0.694  0.364  0.446  1.0
  O  O14  1  0.806  0.364  0.946  1.0
  O  O15  1  0.306  0.636  0.554  1.0
  O  O16  1  0.459  0.869  0.745  1.0
  O  O17  1  0.959  0.131  0.755  1.0
  O  O18  1  0.541  0.131  0.255  1.0
  O  O19  1  0.041  0.869  0.245  1.0
[/CIF]
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The compound described by Y2CrMnO6 crystallizes in the monoclinic P2_1/c space group. Y(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 35-39°. 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 35-39°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Y(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 Y(1), one Cr(1), and one Mn(1) atom. In the third O site, O(3) is bonded to two equivalent Y(1), one Cr(1), and one Mn(1) atom to form distorted corner-sharing OY2MnCr trigonal pyramids. is represented by the CIF file [CIF]
data_Y2MnCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.741
_cell_length_b   5.369
_cell_length_c   9.185
_cell_angle_alpha   54.603
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   230.793
_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
  Y  Y0  1  0.074  0.730  0.751  1.0
  Y  Y1  1  0.574  0.270  0.749  1.0
  Y  Y2  1  0.926  0.270  0.249  1.0
  Y  Y3  1  0.426  0.730  0.251  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  Mn  Mn5  1  0.500  0.000  0.500  1.0
  Cr  Cr6  1  0.500  0.500  0.000  1.0
  Cr  Cr7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.316  0.257  0.940  1.0
  O  O9  1  0.816  0.743  0.560  1.0
  O  O10  1  0.684  0.743  0.060  1.0
  O  O11  1  0.184  0.257  0.440  1.0
  O  O12  1  0.194  0.636  0.054  1.0
  O  O13  1  0.694  0.364  0.446  1.0
  O  O14  1  0.806  0.364  0.946  1.0
  O  O15  1  0.306  0.636  0.554  1.0
  O  O16  1  0.459  0.869  0.745  1.0
  O  O17  1  0.959  0.131  0.755  1.0
  O  O18  1  0.541  0.131  0.255  1.0
  O  O19  1  0.041  0.869  0.245  1.0
[/CIF]
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