The material structure described by Pr2Li2Si3 crystallizes in the orthorhombic Cmcm space group. Li(1) is bonded to three equivalent Pr(2), one Si(1), and three equivalent Si(2) atoms to form a mixture of distorted face, corner, and edge-sharing LiPr3Si4 tetrahedra. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 9-coordinate geometry to one Si(2) and eight equivalent Si(1) atoms. In the second Pr site, Pr(2) is bonded in a 12-coordinate geometry to six equivalent Li(1), two equivalent Si(2), and four equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Li(1), two equivalent Pr(2), four equivalent Pr(1), and two equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to six equivalent Li(1), one Pr(1), and two equivalent Pr(2) atoms. is represented by the CIF card [CIF]
data_Li2Pr2Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.571
_cell_length_b   9.571
_cell_length_c   6.851
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   153.093
_symmetry_Int_Tables_number   1
_cell_volume   283.958
_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  0.811  0.189  0.560  1.0
  Li  Li1  1  0.189  0.811  0.440  1.0
  Li  Li2  1  0.189  0.811  0.060  1.0
  Li  Li3  1  0.811  0.189  0.940  1.0
  Pr  Pr4  1  0.552  0.448  0.250  1.0
  Pr  Pr5  1  0.448  0.552  0.750  1.0
  Pr  Pr6  1  0.341  0.659  0.250  1.0
  Pr  Pr7  1  0.659  0.341  0.750  1.0
  Si  Si8  1  0.943  0.057  0.077  1.0
  Si  Si9  1  0.057  0.943  0.923  1.0
  Si  Si10  1  0.057  0.943  0.577  1.0
  Si  Si11  1  0.943  0.057  0.423  1.0
  Si  Si12  1  0.720  0.280  0.250  1.0
  Si  Si13  1  0.280  0.720  0.750  1.0
[/CIF]
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The material structure described by Pr2Li2Si3 crystallizes in the orthorhombic Cmcm space group. Li(1) is bonded to three equivalent Pr(2), one Si(1), and three equivalent Si(2) atoms to form a mixture of distorted face, corner, and edge-sharing LiPr3Si4 tetrahedra. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 9-coordinate geometry to one Si(2) and eight equivalent Si(1) atoms. In the second Pr site, Pr(2) is bonded in a 12-coordinate geometry to six equivalent Li(1), two equivalent Si(2), and four equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Li(1), two equivalent Pr(2), four equivalent Pr(1), and two equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to six equivalent Li(1), one Pr(1), and two equivalent Pr(2) atoms. is represented by the CIF card [CIF]
data_Li2Pr2Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.571
_cell_length_b   9.571
_cell_length_c   6.851
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   153.093
_symmetry_Int_Tables_number   1
_cell_volume   283.958
_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  0.811  0.189  0.560  1.0
  Li  Li1  1  0.189  0.811  0.440  1.0
  Li  Li2  1  0.189  0.811  0.060  1.0
  Li  Li3  1  0.811  0.189  0.940  1.0
  Pr  Pr4  1  0.552  0.448  0.250  1.0
  Pr  Pr5  1  0.448  0.552  0.750  1.0
  Pr  Pr6  1  0.341  0.659  0.250  1.0
  Pr  Pr7  1  0.659  0.341  0.750  1.0
  Si  Si8  1  0.943  0.057  0.077  1.0
  Si  Si9  1  0.057  0.943  0.923  1.0
  Si  Si10  1  0.057  0.943  0.577  1.0
  Si  Si11  1  0.943  0.057  0.423  1.0
  Si  Si12  1  0.720  0.280  0.250  1.0
  Si  Si13  1  0.280  0.720  0.750  1.0
[/CIF]
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