The material structure described by LiCa2Si3 crystallizes in the orthorhombic Pnnm space group. Li(1) is bonded in a 5-coordinate geometry to one Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one Si(2), two equivalent Si(3), and four equivalent Si(1) atoms. In the second Ca site, Ca(2) is bonded in a 9-coordinate geometry to two equivalent Si(1), three equivalent Si(3), and four equivalent Si(2) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Li(1), two equivalent Ca(2), four equivalent Ca(1), one Si(1), and one Si(3) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Li(1), one Ca(1), four equivalent Ca(2), one Si(2), and one Si(3) atom. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Li(1), two equivalent Ca(1), three equivalent Ca(2), one Si(1), and one Si(2) atom. is represented by the CIF card [CIF]
data_LiCa2Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.377
_cell_length_b   10.498
_cell_length_c   11.237
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   516.341
_cell_formula_units_Z   4
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  Li0  1  0.500  0.861  0.283  1.0
  Li  Li1  1  0.500  0.139  0.717  1.0
  Li  Li2  1  0.000  0.361  0.217  1.0
  Li  Li3  1  0.000  0.639  0.783  1.0
  Ca  Ca4  1  0.500  0.551  0.349  1.0
  Ca  Ca5  1  0.500  0.449  0.651  1.0
  Ca  Ca6  1  0.000  0.051  0.151  1.0
  Ca  Ca7  1  0.000  0.949  0.849  1.0
  Ca  Ca8  1  0.500  0.822  0.574  1.0
  Ca  Ca9  1  0.500  0.178  0.426  1.0
  Ca  Ca10  1  0.000  0.322  0.926  1.0
  Ca  Ca11  1  0.000  0.678  0.074  1.0
  Si  Si12  1  0.500  0.892  0.039  1.0
  Si  Si13  1  0.500  0.108  0.961  1.0
  Si  Si14  1  0.000  0.392  0.461  1.0
  Si  Si15  1  0.000  0.608  0.539  1.0
  Si  Si16  1  0.000  0.965  0.402  1.0
  Si  Si17  1  0.000  0.035  0.598  1.0
  Si  Si18  1  0.500  0.465  0.098  1.0
  Si  Si19  1  0.500  0.535  0.902  1.0
  Si  Si20  1  0.000  0.255  0.633  1.0
  Si  Si21  1  0.000  0.745  0.367  1.0
  Si  Si22  1  0.500  0.755  0.867  1.0
  Si  Si23  1  0.500  0.245  0.133  1.0
[/CIF]
.
The material structure described by LiCa2Si3 crystallizes in the orthorhombic Pnnm space group. Li(1) is bonded in a 5-coordinate geometry to one Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one Si(2), two equivalent Si(3), and four equivalent Si(1) atoms. In the second Ca site, Ca(2) is bonded in a 9-coordinate geometry to two equivalent Si(1), three equivalent Si(3), and four equivalent Si(2) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Li(1), two equivalent Ca(2), four equivalent Ca(1), one Si(1), and one Si(3) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Li(1), one Ca(1), four equivalent Ca(2), one Si(2), and one Si(3) atom. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Li(1), two equivalent Ca(1), three equivalent Ca(2), one Si(1), and one Si(2) atom. is represented by the CIF card [CIF]
data_LiCa2Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.377
_cell_length_b   10.498
_cell_length_c   11.237
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   516.341
_cell_formula_units_Z   4
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  Li0  1  0.500  0.861  0.283  1.0
  Li  Li1  1  0.500  0.139  0.717  1.0
  Li  Li2  1  0.000  0.361  0.217  1.0
  Li  Li3  1  0.000  0.639  0.783  1.0
  Ca  Ca4  1  0.500  0.551  0.349  1.0
  Ca  Ca5  1  0.500  0.449  0.651  1.0
  Ca  Ca6  1  0.000  0.051  0.151  1.0
  Ca  Ca7  1  0.000  0.949  0.849  1.0
  Ca  Ca8  1  0.500  0.822  0.574  1.0
  Ca  Ca9  1  0.500  0.178  0.426  1.0
  Ca  Ca10  1  0.000  0.322  0.926  1.0
  Ca  Ca11  1  0.000  0.678  0.074  1.0
  Si  Si12  1  0.500  0.892  0.039  1.0
  Si  Si13  1  0.500  0.108  0.961  1.0
  Si  Si14  1  0.000  0.392  0.461  1.0
  Si  Si15  1  0.000  0.608  0.539  1.0
  Si  Si16  1  0.000  0.965  0.402  1.0
  Si  Si17  1  0.000  0.035  0.598  1.0
  Si  Si18  1  0.500  0.465  0.098  1.0
  Si  Si19  1  0.500  0.535  0.902  1.0
  Si  Si20  1  0.000  0.255  0.633  1.0
  Si  Si21  1  0.000  0.745  0.367  1.0
  Si  Si22  1  0.500  0.755  0.867  1.0
  Si  Si23  1  0.500  0.245  0.133  1.0
[/CIF]
.