The material structure described by YCrO3 crystallizes in the hexagonal P6_3cm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one O(1), three equivalent O(3), and three equivalent O(4) atoms. In the second Y site, Y(2) is bonded to one O(2), three equivalent O(3), and three equivalent O(4) atoms to form distorted YO7 pentagonal bipyramids that share corners with three equivalent Cr(1)O5 trigonal bipyramids and edges with three equivalent Cr(1)O5 trigonal bipyramids. Cr(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form CrO5 trigonal bipyramids that share  a cornercorner with one Y(2)O7 pentagonal bipyramid, corners with six equivalent Cr(1)O5 trigonal bipyramids, and  an edgeedge with one Y(2)O7 pentagonal bipyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Y(1) and three equivalent Cr(1) atoms to form distorted OYCr3 trigonal pyramids that share corners with six equivalent O(3)Y3Cr tetrahedra, corners with three equivalent O(1)YCr3 trigonal pyramids, corners with three equivalent O(2)YCr3 trigonal pyramids, and edges with three equivalent O(4)Y3Cr tetrahedra. In the second O site, O(2) is bonded to one Y(2) and three equivalent Cr(1) atoms to form OYCr3 trigonal pyramids that share corners with six equivalent O(4)Y3Cr tetrahedra, corners with six equivalent O(1)YCr3 trigonal pyramids, and edges with three equivalent O(3)Y3Cr tetrahedra. In the third O site, O(3) is bonded to one Y(2), two equivalent Y(1), and one Cr(1) atom to form distorted OY3Cr tetrahedra that share corners with four equivalent O(4)Y3Cr tetrahedra, corners with six equivalent O(3)Y3Cr tetrahedra, corners with four equivalent O(1)YCr3 trigonal pyramids, edges with three equivalent O(4)Y3Cr tetrahedra, and  an edgeedge with one O(2)YCr3 trigonal pyramid. In the fourth O site, O(4) is bonded to one Y(2), two equivalent Y(1), and one Cr(1) atom to form OY3Cr tetrahedra that share corners with four equivalent O(3)Y3Cr tetrahedra, corners with six equivalent O(4)Y3Cr tetrahedra, corners with two equivalent O(2)YCr3 trigonal pyramids, edges with three equivalent O(3)Y3Cr tetrahedra, and edges with two equivalent O(1)YCr3 trigonal pyramids. is represented by the CIF file [CIF]
data_YCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.087
_cell_length_b   6.087
_cell_length_c   12.013
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   385.454
_cell_formula_units_Z   6
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  0.667  0.333  0.234  1.0
  Y  Y1  1  0.333  0.667  0.734  1.0
  Y  Y2  1  0.667  0.333  0.734  1.0
  Y  Y3  1  0.333  0.667  0.234  1.0
  Y  Y4  1  0.000  0.000  0.777  1.0
  Y  Y5  1  0.000  0.000  0.277  1.0
  Cr  Cr6  1  0.667  0.000  0.501  1.0
  Cr  Cr7  1  0.667  0.667  0.001  1.0
  Cr  Cr8  1  0.000  0.333  0.001  1.0
  Cr  Cr9  1  0.000  0.667  0.501  1.0
  Cr  Cr10  1  0.333  0.333  0.501  1.0
  Cr  Cr11  1  0.333  0.000  0.001  1.0
  O  O12  1  0.667  0.333  0.019  1.0
  O  O13  1  0.333  0.667  0.519  1.0
  O  O14  1  0.667  0.333  0.519  1.0
  O  O15  1  0.333  0.667  0.019  1.0
  O  O16  1  0.000  0.000  0.980  1.0
  O  O17  1  0.000  0.000  0.480  1.0
  O  O18  1  0.360  0.000  0.839  1.0
  O  O19  1  0.360  0.360  0.339  1.0
  O  O20  1  0.000  0.640  0.339  1.0
  O  O21  1  0.000  0.360  0.839  1.0
  O  O22  1  0.640  0.640  0.839  1.0
  O  O23  1  0.640  0.000  0.339  1.0
  O  O24  1  0.307  0.000  0.164  1.0
  O  O25  1  0.307  0.307  0.664  1.0
  O  O26  1  0.000  0.693  0.664  1.0
  O  O27  1  0.000  0.307  0.164  1.0
  O  O28  1  0.693  0.693  0.164  1.0
  O  O29  1  0.693  0.000  0.664  1.0
[/CIF]
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The material structure described by YCrO3 crystallizes in the hexagonal P6_3cm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one O(1), three equivalent O(3), and three equivalent O(4) atoms. In the second Y site, Y(2) is bonded to one O(2), three equivalent O(3), and three equivalent O(4) atoms to form distorted YO7 pentagonal bipyramids that share corners with three equivalent Cr(1)O5 trigonal bipyramids and edges with three equivalent Cr(1)O5 trigonal bipyramids. Cr(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form CrO5 trigonal bipyramids that share  a cornercorner with one Y(2)O7 pentagonal bipyramid, corners with six equivalent Cr(1)O5 trigonal bipyramids, and  an edgeedge with one Y(2)O7 pentagonal bipyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Y(1) and three equivalent Cr(1) atoms to form distorted OYCr3 trigonal pyramids that share corners with six equivalent O(3)Y3Cr tetrahedra, corners with three equivalent O(1)YCr3 trigonal pyramids, corners with three equivalent O(2)YCr3 trigonal pyramids, and edges with three equivalent O(4)Y3Cr tetrahedra. In the second O site, O(2) is bonded to one Y(2) and three equivalent Cr(1) atoms to form OYCr3 trigonal pyramids that share corners with six equivalent O(4)Y3Cr tetrahedra, corners with six equivalent O(1)YCr3 trigonal pyramids, and edges with three equivalent O(3)Y3Cr tetrahedra. In the third O site, O(3) is bonded to one Y(2), two equivalent Y(1), and one Cr(1) atom to form distorted OY3Cr tetrahedra that share corners with four equivalent O(4)Y3Cr tetrahedra, corners with six equivalent O(3)Y3Cr tetrahedra, corners with four equivalent O(1)YCr3 trigonal pyramids, edges with three equivalent O(4)Y3Cr tetrahedra, and  an edgeedge with one O(2)YCr3 trigonal pyramid. In the fourth O site, O(4) is bonded to one Y(2), two equivalent Y(1), and one Cr(1) atom to form OY3Cr tetrahedra that share corners with four equivalent O(3)Y3Cr tetrahedra, corners with six equivalent O(4)Y3Cr tetrahedra, corners with two equivalent O(2)YCr3 trigonal pyramids, edges with three equivalent O(3)Y3Cr tetrahedra, and edges with two equivalent O(1)YCr3 trigonal pyramids. is represented by the CIF file [CIF]
data_YCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.087
_cell_length_b   6.087
_cell_length_c   12.013
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   385.454
_cell_formula_units_Z   6
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  0.667  0.333  0.234  1.0
  Y  Y1  1  0.333  0.667  0.734  1.0
  Y  Y2  1  0.667  0.333  0.734  1.0
  Y  Y3  1  0.333  0.667  0.234  1.0
  Y  Y4  1  0.000  0.000  0.777  1.0
  Y  Y5  1  0.000  0.000  0.277  1.0
  Cr  Cr6  1  0.667  0.000  0.501  1.0
  Cr  Cr7  1  0.667  0.667  0.001  1.0
  Cr  Cr8  1  0.000  0.333  0.001  1.0
  Cr  Cr9  1  0.000  0.667  0.501  1.0
  Cr  Cr10  1  0.333  0.333  0.501  1.0
  Cr  Cr11  1  0.333  0.000  0.001  1.0
  O  O12  1  0.667  0.333  0.019  1.0
  O  O13  1  0.333  0.667  0.519  1.0
  O  O14  1  0.667  0.333  0.519  1.0
  O  O15  1  0.333  0.667  0.019  1.0
  O  O16  1  0.000  0.000  0.980  1.0
  O  O17  1  0.000  0.000  0.480  1.0
  O  O18  1  0.360  0.000  0.839  1.0
  O  O19  1  0.360  0.360  0.339  1.0
  O  O20  1  0.000  0.640  0.339  1.0
  O  O21  1  0.000  0.360  0.839  1.0
  O  O22  1  0.640  0.640  0.839  1.0
  O  O23  1  0.640  0.000  0.339  1.0
  O  O24  1  0.307  0.000  0.164  1.0
  O  O25  1  0.307  0.307  0.664  1.0
  O  O26  1  0.000  0.693  0.664  1.0
  O  O27  1  0.000  0.307  0.164  1.0
  O  O28  1  0.693  0.693  0.164  1.0
  O  O29  1  0.693  0.000  0.664  1.0
[/CIF]
.