The material structure described by Nd2Li2Si3 crystallizes in the orthorhombic Cmcm space group. Li(1) is bonded to three equivalent Nd(1), one Si(2), and three equivalent Si(1) atoms to form a mixture of distorted edge, face, and corner-sharing LiNd3Si4 tetrahedra. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 12-coordinate geometry to six equivalent Li(1), two equivalent Si(1), and four equivalent Si(2) atoms. In the second Nd site, Nd(2) is bonded in a 9-coordinate geometry to one Si(1) and eight equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to six equivalent Li(1), one Nd(2), and two equivalent Nd(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Li(1), two equivalent Nd(1), four equivalent Nd(2), and two equivalent Si(2) atoms. is represented by the CIF file [CIF]
data_Li2Nd2Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.417
_cell_length_b   6.812
_cell_length_c   9.512
_cell_angle_alpha   90.000
_cell_angle_beta   103.426
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   278.428
_cell_formula_units_Z   2
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  0.189  0.060  0.378  1.0
  Li  Li1  1  0.189  0.440  0.378  1.0
  Li  Li2  1  0.811  0.940  0.622  1.0
  Li  Li3  1  0.811  0.560  0.622  1.0
  Nd  Nd4  1  0.341  0.250  0.683  1.0
  Nd  Nd5  1  0.659  0.750  0.317  1.0
  Nd  Nd6  1  0.552  0.250  0.105  1.0
  Nd  Nd7  1  0.448  0.750  0.895  1.0
  Si  Si8  1  0.720  0.250  0.439  1.0
  Si  Si9  1  0.280  0.750  0.561  1.0
  Si  Si10  1  0.057  0.924  0.115  1.0
  Si  Si11  1  0.943  0.076  0.885  1.0
  Si  Si12  1  0.943  0.424  0.885  1.0
  Si  Si13  1  0.057  0.576  0.115  1.0
[/CIF]
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The material structure described by Nd2Li2Si3 crystallizes in the orthorhombic Cmcm space group. Li(1) is bonded to three equivalent Nd(1), one Si(2), and three equivalent Si(1) atoms to form a mixture of distorted edge, face, and corner-sharing LiNd3Si4 tetrahedra. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 12-coordinate geometry to six equivalent Li(1), two equivalent Si(1), and four equivalent Si(2) atoms. In the second Nd site, Nd(2) is bonded in a 9-coordinate geometry to one Si(1) and eight equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to six equivalent Li(1), one Nd(2), and two equivalent Nd(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Li(1), two equivalent Nd(1), four equivalent Nd(2), and two equivalent Si(2) atoms. is represented by the CIF file [CIF]
data_Li2Nd2Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.417
_cell_length_b   6.812
_cell_length_c   9.512
_cell_angle_alpha   90.000
_cell_angle_beta   103.426
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   278.428
_cell_formula_units_Z   2
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  0.189  0.060  0.378  1.0
  Li  Li1  1  0.189  0.440  0.378  1.0
  Li  Li2  1  0.811  0.940  0.622  1.0
  Li  Li3  1  0.811  0.560  0.622  1.0
  Nd  Nd4  1  0.341  0.250  0.683  1.0
  Nd  Nd5  1  0.659  0.750  0.317  1.0
  Nd  Nd6  1  0.552  0.250  0.105  1.0
  Nd  Nd7  1  0.448  0.750  0.895  1.0
  Si  Si8  1  0.720  0.250  0.439  1.0
  Si  Si9  1  0.280  0.750  0.561  1.0
  Si  Si10  1  0.057  0.924  0.115  1.0
  Si  Si11  1  0.943  0.076  0.885  1.0
  Si  Si12  1  0.943  0.424  0.885  1.0
  Si  Si13  1  0.057  0.576  0.115  1.0
[/CIF]
.