The compound described by Lu3YCr4O16 is Zircon-derived structured and crystallizes in the orthorhombic C222 space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(4) atoms. In the second Lu site, Lu(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Y(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(3) atoms. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. In the second Cr site, Cr(2) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. In the third Cr site, Cr(3) is bonded in a tetrahedral geometry to two equivalent O(3) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Lu(2), one Y(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Lu(1), one Lu(2), and one Cr(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Lu(2), one Y(1), and one Cr(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Lu(1), one Lu(2), and one Cr(3) atom. is represented by the CIF card [CIF]
data_YLu3Cr4O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.918
_cell_length_b   5.918
_cell_length_c   10.053
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   116.260
_symmetry_Int_Tables_number   1
_cell_volume   315.805
_cell_formula_units_Z   1
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  0.000  0.000  0.500  1.0
  Lu  Lu1  1  0.500  0.500  0.000  1.0
  Lu  Lu2  1  0.000  0.500  0.751  1.0
  Lu  Lu3  1  0.500  0.000  0.249  1.0
  Cr  Cr4  1  0.500  0.500  0.500  1.0
  Cr  Cr5  1  0.000  0.000  0.000  1.0
  Cr  Cr6  1  0.500  0.000  0.754  1.0
  Cr  Cr7  1  0.000  0.500  0.246  1.0
  O  O8  1  0.767  0.582  0.595  1.0
  O  O9  1  0.270  0.086  0.094  1.0
  O  O10  1  0.582  0.767  0.405  1.0
  O  O11  1  0.086  0.270  0.906  1.0
  O  O12  1  0.913  0.229  0.339  1.0
  O  O13  1  0.417  0.727  0.843  1.0
  O  O14  1  0.229  0.913  0.661  1.0
  O  O15  1  0.727  0.417  0.157  1.0
  O  O16  1  0.418  0.233  0.405  1.0
  O  O17  1  0.914  0.730  0.906  1.0
  O  O18  1  0.233  0.418  0.595  1.0
  O  O19  1  0.730  0.914  0.094  1.0
  O  O20  1  0.771  0.087  0.661  1.0
  O  O21  1  0.273  0.583  0.157  1.0
  O  O22  1  0.087  0.771  0.339  1.0
  O  O23  1  0.583  0.273  0.843  1.0
[/CIF]
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The compound described by Lu3YCr4O16 is Zircon-derived structured and crystallizes in the orthorhombic C222 space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(4) atoms. In the second Lu site, Lu(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Y(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(3) atoms. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. In the second Cr site, Cr(2) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. In the third Cr site, Cr(3) is bonded in a tetrahedral geometry to two equivalent O(3) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Lu(2), one Y(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Lu(1), one Lu(2), and one Cr(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Lu(2), one Y(1), and one Cr(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Lu(1), one Lu(2), and one Cr(3) atom. is represented by the CIF card [CIF]
data_YLu3Cr4O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.918
_cell_length_b   5.918
_cell_length_c   10.053
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   116.260
_symmetry_Int_Tables_number   1
_cell_volume   315.805
_cell_formula_units_Z   1
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  0.000  0.000  0.500  1.0
  Lu  Lu1  1  0.500  0.500  0.000  1.0
  Lu  Lu2  1  0.000  0.500  0.751  1.0
  Lu  Lu3  1  0.500  0.000  0.249  1.0
  Cr  Cr4  1  0.500  0.500  0.500  1.0
  Cr  Cr5  1  0.000  0.000  0.000  1.0
  Cr  Cr6  1  0.500  0.000  0.754  1.0
  Cr  Cr7  1  0.000  0.500  0.246  1.0
  O  O8  1  0.767  0.582  0.595  1.0
  O  O9  1  0.270  0.086  0.094  1.0
  O  O10  1  0.582  0.767  0.405  1.0
  O  O11  1  0.086  0.270  0.906  1.0
  O  O12  1  0.913  0.229  0.339  1.0
  O  O13  1  0.417  0.727  0.843  1.0
  O  O14  1  0.229  0.913  0.661  1.0
  O  O15  1  0.727  0.417  0.157  1.0
  O  O16  1  0.418  0.233  0.405  1.0
  O  O17  1  0.914  0.730  0.906  1.0
  O  O18  1  0.233  0.418  0.595  1.0
  O  O19  1  0.730  0.914  0.094  1.0
  O  O20  1  0.771  0.087  0.661  1.0
  O  O21  1  0.273  0.583  0.157  1.0
  O  O22  1  0.087  0.771  0.339  1.0
  O  O23  1  0.583  0.273  0.843  1.0
[/CIF]
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