The material described by Y2Cr3O12 crystallizes in the orthorhombic Fddd space group. Y(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a tetrahedral geometry to four equivalent O(3) atoms. In the second Cr site, Cr(2) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Y(1) and one Cr(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Y(1) and one Cr(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Y(1) and one Cr(1) atom. is represented by the CIF card [CIF]
data_Y2Cr3O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.877
_cell_length_b   15.372
_cell_length_c   5.928
_cell_angle_alpha   83.902
_cell_angle_beta   74.298
_cell_angle_gamma   21.793
_symmetry_Int_Tables_number   1
_cell_volume   472.607
_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  0.670  0.670  0.330  1.0
  Y  Y1  1  0.330  0.330  0.670  1.0
  Y  Y2  1  0.920  0.920  0.580  1.0
  Y  Y3  1  0.580  0.580  0.920  1.0
  Cr  Cr4  1  0.750  0.750  0.750  1.0
  Cr  Cr5  1  0.414  0.415  0.085  1.0
  Cr  Cr6  1  0.086  0.085  0.415  1.0
  Cr  Cr7  1  0.165  0.164  0.836  1.0
  Cr  Cr8  1  0.835  0.836  0.165  1.0
  Cr  Cr9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.123  0.267  0.055  1.0
  O  O11  1  0.787  0.945  0.396  1.0
  O  O12  1  0.476  0.588  0.713  1.0
  O  O13  1  0.663  0.774  0.026  1.0
  O  O14  1  0.305  0.463  0.378  1.0
  O  O15  1  0.983  0.127  0.694  1.0
  O  O16  1  0.537  0.026  0.774  1.0
  O  O17  1  0.195  0.694  0.127  1.0
  O  O18  1  0.854  0.378  0.463  1.0
  O  O19  1  0.872  0.396  0.945  1.0
  O  O20  1  0.556  0.055  0.267  1.0
  O  O21  1  0.224  0.713  0.587  1.0
  O  O22  1  0.267  0.123  0.556  1.0
  O  O23  1  0.945  0.787  0.872  1.0
  O  O24  1  0.587  0.476  0.224  1.0
  O  O25  1  0.774  0.663  0.537  1.0
  O  O26  1  0.463  0.305  0.854  1.0
  O  O27  1  0.127  0.983  0.195  1.0
  O  O28  1  0.026  0.537  0.662  1.0
  O  O29  1  0.694  0.195  0.983  1.0
  O  O30  1  0.378  0.854  0.305  1.0
  O  O31  1  0.396  0.872  0.787  1.0
  O  O32  1  0.055  0.556  0.123  1.0
  O  O33  1  0.713  0.224  0.476  1.0
[/CIF]
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The material described by Y2Cr3O12 crystallizes in the orthorhombic Fddd space group. Y(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a tetrahedral geometry to four equivalent O(3) atoms. In the second Cr site, Cr(2) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Y(1) and one Cr(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Y(1) and one Cr(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Y(1) and one Cr(1) atom. is represented by the CIF card [CIF]
data_Y2Cr3O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.877
_cell_length_b   15.372
_cell_length_c   5.928
_cell_angle_alpha   83.902
_cell_angle_beta   74.298
_cell_angle_gamma   21.793
_symmetry_Int_Tables_number   1
_cell_volume   472.607
_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  0.670  0.670  0.330  1.0
  Y  Y1  1  0.330  0.330  0.670  1.0
  Y  Y2  1  0.920  0.920  0.580  1.0
  Y  Y3  1  0.580  0.580  0.920  1.0
  Cr  Cr4  1  0.750  0.750  0.750  1.0
  Cr  Cr5  1  0.414  0.415  0.085  1.0
  Cr  Cr6  1  0.086  0.085  0.415  1.0
  Cr  Cr7  1  0.165  0.164  0.836  1.0
  Cr  Cr8  1  0.835  0.836  0.165  1.0
  Cr  Cr9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.123  0.267  0.055  1.0
  O  O11  1  0.787  0.945  0.396  1.0
  O  O12  1  0.476  0.588  0.713  1.0
  O  O13  1  0.663  0.774  0.026  1.0
  O  O14  1  0.305  0.463  0.378  1.0
  O  O15  1  0.983  0.127  0.694  1.0
  O  O16  1  0.537  0.026  0.774  1.0
  O  O17  1  0.195  0.694  0.127  1.0
  O  O18  1  0.854  0.378  0.463  1.0
  O  O19  1  0.872  0.396  0.945  1.0
  O  O20  1  0.556  0.055  0.267  1.0
  O  O21  1  0.224  0.713  0.587  1.0
  O  O22  1  0.267  0.123  0.556  1.0
  O  O23  1  0.945  0.787  0.872  1.0
  O  O24  1  0.587  0.476  0.224  1.0
  O  O25  1  0.774  0.663  0.537  1.0
  O  O26  1  0.463  0.305  0.854  1.0
  O  O27  1  0.127  0.983  0.195  1.0
  O  O28  1  0.026  0.537  0.662  1.0
  O  O29  1  0.694  0.195  0.983  1.0
  O  O30  1  0.378  0.854  0.305  1.0
  O  O31  1  0.396  0.872  0.787  1.0
  O  O32  1  0.055  0.556  0.123  1.0
  O  O33  1  0.713  0.224  0.476  1.0
[/CIF]
.