data_LiYCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.66
_cell_length_b   2.66
_cell_length_c   9.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiYCr2
_chemical_formula_sum   'Li1 Y1 Cr2'
_cell_volume   64.56
_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
  Li  Li2  1  0.0  0.0  0.0  1.0
  Y  Y3  1  0.0  0.0  0.55  1.0
  Cr  Cr0  1  0.33  0.33  0.95  1.0
  Cr  Cr1  1  0.33  0.33  0.14  1.0

data_LiYCr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.77
_cell_length_b   3.77
_cell_length_c   9.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiYCr2
_chemical_formula_sum   'Li2 Y2 Cr4'
_cell_volume   129.13
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Li  Li0  2  0.0  0.0  0.0  1.0
  Y  Y1  2  0.0  0.0  0.55  1.0
  Cr  Cr2  2  0.33  0.0  0.14  1.0
  Cr  Cr3  2  0.33  0.0  0.95  1.0

Li Y Cr Cr
LiCr2Y crystallizes in the monoclinic Cm space group. Li(1) is bonded in a 1-coordinate geometry to one Cr(1) and one Cr(2) atom. The Li(1)-Cr(1) bond length is 1.32 Å. The Li(1)-Cr(2) bond length is 1.78 Å. Y(1) is bonded in a distorted square co-planar geometry to four equivalent Y(1), one Cr(1), and one Cr(2) atom. All Y(1)-Y(1) bond lengths are 2.66 Å. The Y(1)-Cr(1) bond length is 3.91 Å. The Y(1)-Cr(2) bond length is 3.91 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a distorted single-bond geometry to one Li(1) and one Y(1) atom. In the second Cr site, Cr(2) is bonded in a 1-coordinate geometry to one Li(1) and one Y(1) atom.