The crystal structure described by LuYCr2O8 is Zircon-derived structured and crystallizes in the tetragonal I-4m2 space group. Lu(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Y(1) is bonded in a 8-coordinate geometry to four equivalent O(1) 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(1) atoms. In the second Cr site, Cr(2) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Lu(1), 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 Y(1), and one Cr(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_YLuCr2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.949
_cell_length_b   5.949
_cell_length_c   5.949
_cell_angle_alpha   106.065
_cell_angle_beta   106.065
_cell_angle_gamma   116.522
_symmetry_Int_Tables_number   1
_cell_volume   160.238
_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  0.000  1.0
  Lu  Lu1  1  0.750  0.250  0.500  1.0
  Cr  Cr2  1  0.250  0.750  0.500  1.0
  Cr  Cr3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.071  0.754  0.683  1.0
  O  O5  1  0.071  0.388  0.317  1.0
  O  O6  1  0.674  0.861  0.187  1.0
  O  O7  1  0.674  0.487  0.813  1.0
  O  O8  1  0.612  0.929  0.683  1.0
  O  O9  1  0.246  0.929  0.317  1.0
  O  O10  1  0.513  0.326  0.187  1.0
  O  O11  1  0.139  0.326  0.813  1.0
[/CIF]
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The crystal structure described by LuYCr2O8 is Zircon-derived structured and crystallizes in the tetragonal I-4m2 space group. Lu(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Y(1) is bonded in a 8-coordinate geometry to four equivalent O(1) 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(1) atoms. In the second Cr site, Cr(2) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Lu(1), 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 Y(1), and one Cr(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_YLuCr2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.949
_cell_length_b   5.949
_cell_length_c   5.949
_cell_angle_alpha   106.065
_cell_angle_beta   106.065
_cell_angle_gamma   116.522
_symmetry_Int_Tables_number   1
_cell_volume   160.238
_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  0.000  1.0
  Lu  Lu1  1  0.750  0.250  0.500  1.0
  Cr  Cr2  1  0.250  0.750  0.500  1.0
  Cr  Cr3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.071  0.754  0.683  1.0
  O  O5  1  0.071  0.388  0.317  1.0
  O  O6  1  0.674  0.861  0.187  1.0
  O  O7  1  0.674  0.487  0.813  1.0
  O  O8  1  0.612  0.929  0.683  1.0
  O  O9  1  0.246  0.929  0.317  1.0
  O  O10  1  0.513  0.326  0.187  1.0
  O  O11  1  0.139  0.326  0.813  1.0
[/CIF]
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