data_LiCrSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   5.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCrSi2
_chemical_formula_sum   'Li1 Cr1 Si2'
_cell_volume   48.74
_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  Li1  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.0  0.0  0.67  1.0
  Si  Si2  1  0.51  0.51  0.39  1.0
  Si  Si3  1  0.51  0.51  0.94  1.0

data_LiCrSi2
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   5.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   LiCrSi2
_chemical_formula_sum   'Li1 Cr1 Si2'
_cell_volume   48.74
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, 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  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.0  0.0  0.67  1.0
  Si  Si2  1  0.5  0.5  0.39  1.0
  Si  Si3  1  0.5  0.5  0.94  1.0

Li Cr Si Si
LiCrSi2 crystallizes in the monoclinic Cm space group. Li(1) is bonded to one Cr(1), four equivalent Si(1), and four equivalent Si(2) atoms to form a mixture of distorted face and edge-sharing LiCrSi8 square pyramids. The Li(1)-Cr(1) bond length is 1.78 Å. There are a spread of Li(1)-Si(1) bond distances ranging from 2.96-3.03 Å. There are a spread of Li(1)-Si(2) bond distances ranging from 2.11-2.21 Å. Cr(1) is bonded in a single-bond geometry to one Li(1) and four equivalent Si(1) atoms. There are a spread of Cr(1)-Si(1) bond distances ranging from 2.55-2.63 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to four equivalent Li(1), four equivalent Cr(1), and one Si(2) atom. The Si(1)-Si(2) bond length is 2.41 Å. In the second Si site, Si(2) is bonded in a distorted square co-planar geometry to four equivalent Li(1) and one Si(1) atom.