The material structure described by Li4Y3CrO8 crystallizes in the orthorhombic C222 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a square co-planar geometry to four equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a square co-planar geometry to four equivalent O(3) atoms. In the third Li site, Li(3) is bonded in a distorted square co-planar geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form YO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra and edges with four equivalent Y(2)O6 octahedra. The corner-sharing octahedral tilt angles are 8°. In the second Y site, Y(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form YO6 octahedra that share corners with four equivalent Y(2)O6 octahedra, edges with two equivalent Y(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-23°. Cr(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CrO6 octahedra that share corners with four equivalent Y(1)O6 octahedra and edges with four equivalent Y(2)O6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(3), one Y(1), and two equivalent Y(2) atoms to form OLi2Y3 square pyramids that share corners with four equivalent O(3)Li3Y2Cr octahedra,  a cornercorner with one O(1)Li2Y3 square pyramid, corners with four equivalent O(2)Li2Y2Cr square pyramids, edges with four equivalent O(3)Li3Y2Cr octahedra, edges with two equivalent O(2)Li2Y2Cr square pyramids, and edges with two equivalent O(1)Li2Y3 square pyramids. The corner-sharing octahedral tilt angles range from 83-84°. In the second O site, O(2) is bonded to two equivalent Li(3), two equivalent Y(2), and one Cr(1) atom to form OLi2Y2Cr square pyramids that share corners with four equivalent O(3)Li3Y2Cr octahedra,  a cornercorner with one O(2)Li2Y2Cr square pyramid, corners with four equivalent O(1)Li2Y3 square pyramids, edges with four equivalent O(3)Li3Y2Cr octahedra, edges with two equivalent O(2)Li2Y2Cr square pyramids, and edges with two equivalent O(1)Li2Y3 square pyramids. The corner-sharing octahedral tilt angles range from 78-80°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Y(1), one Y(2), and one Cr(1) atom to form distorted OLi3Y2Cr octahedra that share corners with six equivalent O(3)Li3Y2Cr octahedra, corners with two equivalent O(2)Li2Y2Cr square pyramids, corners with two equivalent O(1)Li2Y3 square pyramids, edges with four equivalent O(3)Li3Y2Cr octahedra, edges with two equivalent O(2)Li2Y2Cr square pyramids, and edges with two equivalent O(1)Li2Y3 square pyramids. The corner-sharing octahedral tilt angles range from 2-8°. is represented by the CIF file [CIF]
data_Li4Y3CrO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.880
_cell_length_b   5.880
_cell_length_c   6.185
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   63.314
_symmetry_Int_Tables_number   1
_cell_volume   191.066
_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
  Cr  Cr0  1  0.000  1.000  1.000  1.0
  Li  Li1  1  0.000  1.000  0.500  1.0
  Li  Li2  1  0.500  0.500  1.000  1.0
  Li  Li3  1  0.000  0.500  0.253  1.0
  Li  Li4  1  0.500  1.000  0.747  1.0
  O  O5  1  0.275  0.275  0.500  1.0
  O  O6  1  0.725  0.725  0.500  1.0
  O  O7  1  0.793  0.793  0.000  1.0
  O  O8  1  0.207  0.207  1.000  1.0
  O  O9  1  0.743  0.228  0.237  1.0
  O  O10  1  0.257  0.772  0.237  1.0
  O  O11  1  0.228  0.743  0.763  1.0
  O  O12  1  0.772  0.257  0.763  1.0
  Y  Y13  1  0.500  0.500  0.500  1.0
  Y  Y14  1  0.500  0.000  0.242  1.0
  Y  Y15  1  1.000  0.500  0.758  1.0
[/CIF]
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The material structure described by Li4Y3CrO8 crystallizes in the orthorhombic C222 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a square co-planar geometry to four equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a square co-planar geometry to four equivalent O(3) atoms. In the third Li site, Li(3) is bonded in a distorted square co-planar geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form YO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra and edges with four equivalent Y(2)O6 octahedra. The corner-sharing octahedral tilt angles are 8°. In the second Y site, Y(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form YO6 octahedra that share corners with four equivalent Y(2)O6 octahedra, edges with two equivalent Y(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-23°. Cr(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CrO6 octahedra that share corners with four equivalent Y(1)O6 octahedra and edges with four equivalent Y(2)O6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(3), one Y(1), and two equivalent Y(2) atoms to form OLi2Y3 square pyramids that share corners with four equivalent O(3)Li3Y2Cr octahedra,  a cornercorner with one O(1)Li2Y3 square pyramid, corners with four equivalent O(2)Li2Y2Cr square pyramids, edges with four equivalent O(3)Li3Y2Cr octahedra, edges with two equivalent O(2)Li2Y2Cr square pyramids, and edges with two equivalent O(1)Li2Y3 square pyramids. The corner-sharing octahedral tilt angles range from 83-84°. In the second O site, O(2) is bonded to two equivalent Li(3), two equivalent Y(2), and one Cr(1) atom to form OLi2Y2Cr square pyramids that share corners with four equivalent O(3)Li3Y2Cr octahedra,  a cornercorner with one O(2)Li2Y2Cr square pyramid, corners with four equivalent O(1)Li2Y3 square pyramids, edges with four equivalent O(3)Li3Y2Cr octahedra, edges with two equivalent O(2)Li2Y2Cr square pyramids, and edges with two equivalent O(1)Li2Y3 square pyramids. The corner-sharing octahedral tilt angles range from 78-80°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Y(1), one Y(2), and one Cr(1) atom to form distorted OLi3Y2Cr octahedra that share corners with six equivalent O(3)Li3Y2Cr octahedra, corners with two equivalent O(2)Li2Y2Cr square pyramids, corners with two equivalent O(1)Li2Y3 square pyramids, edges with four equivalent O(3)Li3Y2Cr octahedra, edges with two equivalent O(2)Li2Y2Cr square pyramids, and edges with two equivalent O(1)Li2Y3 square pyramids. The corner-sharing octahedral tilt angles range from 2-8°. is represented by the CIF file [CIF]
data_Li4Y3CrO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.880
_cell_length_b   5.880
_cell_length_c   6.185
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   63.314
_symmetry_Int_Tables_number   1
_cell_volume   191.066
_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
  Cr  Cr0  1  0.000  1.000  1.000  1.0
  Li  Li1  1  0.000  1.000  0.500  1.0
  Li  Li2  1  0.500  0.500  1.000  1.0
  Li  Li3  1  0.000  0.500  0.253  1.0
  Li  Li4  1  0.500  1.000  0.747  1.0
  O  O5  1  0.275  0.275  0.500  1.0
  O  O6  1  0.725  0.725  0.500  1.0
  O  O7  1  0.793  0.793  0.000  1.0
  O  O8  1  0.207  0.207  1.000  1.0
  O  O9  1  0.743  0.228  0.237  1.0
  O  O10  1  0.257  0.772  0.237  1.0
  O  O11  1  0.228  0.743  0.763  1.0
  O  O12  1  0.772  0.257  0.763  1.0
  Y  Y13  1  0.500  0.500  0.500  1.0
  Y  Y14  1  0.500  0.000  0.242  1.0
  Y  Y15  1  1.000  0.500  0.758  1.0
[/CIF]
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