The material 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(3) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-38°. Mn(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-38°. 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) and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Y(1) and two equivalent Mn(1) atoms. 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 card [CIF]
data_Y2MnCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.335
_cell_length_b   5.716
_cell_length_c   7.624
_cell_angle_alpha   90.437
_cell_angle_beta   90.000
_cell_angle_gamma   89.996
_symmetry_Int_Tables_number   1
_cell_volume   232.497
_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  0.519  0.073  0.250  1.0
  Y  Y1  1  0.481  0.927  0.750  1.0
  Y  Y2  1  0.019  0.427  0.750  1.0
  Y  Y3  1  0.981  0.573  0.250  1.0
  Mn  Mn4  1  0.500  0.500  0.500  1.0
  Mn  Mn5  1  1.000  0.000  0.500  1.0
  Cr  Cr6  1  1.000  1.000  1.000  1.0
  Cr  Cr7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.808  0.303  0.058  1.0
  O  O9  1  0.192  0.697  0.942  1.0
  O  O10  1  0.308  0.197  0.942  1.0
  O  O11  1  0.692  0.803  0.058  1.0
  O  O12  1  0.204  0.680  0.557  1.0
  O  O13  1  0.796  0.320  0.443  1.0
  O  O14  1  0.704  0.820  0.443  1.0
  O  O15  1  0.296  0.180  0.557  1.0
  O  O16  1  0.385  0.459  0.250  1.0
  O  O17  1  0.615  0.541  0.750  1.0
  O  O18  1  0.885  0.041  0.750  1.0
  O  O19  1  0.115  0.959  0.250  1.0
[/CIF]
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The material 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(3) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-38°. Mn(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-38°. 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) and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Y(1) and two equivalent Mn(1) atoms. 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 card [CIF]
data_Y2MnCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.335
_cell_length_b   5.716
_cell_length_c   7.624
_cell_angle_alpha   90.437
_cell_angle_beta   90.000
_cell_angle_gamma   89.996
_symmetry_Int_Tables_number   1
_cell_volume   232.497
_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  0.519  0.073  0.250  1.0
  Y  Y1  1  0.481  0.927  0.750  1.0
  Y  Y2  1  0.019  0.427  0.750  1.0
  Y  Y3  1  0.981  0.573  0.250  1.0
  Mn  Mn4  1  0.500  0.500  0.500  1.0
  Mn  Mn5  1  1.000  0.000  0.500  1.0
  Cr  Cr6  1  1.000  1.000  1.000  1.0
  Cr  Cr7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.808  0.303  0.058  1.0
  O  O9  1  0.192  0.697  0.942  1.0
  O  O10  1  0.308  0.197  0.942  1.0
  O  O11  1  0.692  0.803  0.058  1.0
  O  O12  1  0.204  0.680  0.557  1.0
  O  O13  1  0.796  0.320  0.443  1.0
  O  O14  1  0.704  0.820  0.443  1.0
  O  O15  1  0.296  0.180  0.557  1.0
  O  O16  1  0.385  0.459  0.250  1.0
  O  O17  1  0.615  0.541  0.750  1.0
  O  O18  1  0.885  0.041  0.750  1.0
  O  O19  1  0.115  0.959  0.250  1.0
[/CIF]
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