The compound described by LiPrSn crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted trigonal planar geometry to two equivalent Pr(2), four equivalent Pr(1), one Sn(2), and two equivalent Sn(1) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to six equivalent Pr(1), one Sn(2), and three equivalent Sn(1) atoms. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 12-coordinate geometry to two equivalent Li(2), four equivalent Li(1), two equivalent Sn(2), and four equivalent Sn(1) atoms. In the second Pr site, Pr(2) is bonded in a 12-coordinate geometry to six equivalent Li(1) and six equivalent Sn(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to one Li(2), two equivalent Li(1), two equivalent Pr(2), and four equivalent Pr(1) atoms. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to one Li(2), three equivalent Li(1), and six equivalent Pr(1) atoms. is represented by the CIF card [CIF]
data_LiPrSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.598
_cell_length_b   9.598
_cell_length_c   7.764
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   619.385
_cell_formula_units_Z   8
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  0.834  0.166  0.712  1.0
  Li  Li1  1  0.834  0.667  0.712  1.0
  Li  Li2  1  0.333  0.166  0.712  1.0
  Li  Li3  1  0.166  0.834  0.212  1.0
  Li  Li4  1  0.166  0.333  0.212  1.0
  Li  Li5  1  0.667  0.834  0.212  1.0
  Li  Li6  1  0.667  0.333  0.340  1.0
  Li  Li7  1  0.333  0.667  0.840  1.0
  Pr  Pr8  1  0.487  0.513  0.504  1.0
  Pr  Pr9  1  0.487  0.974  0.504  1.0
  Pr  Pr10  1  0.026  0.513  0.504  1.0
  Pr  Pr11  1  0.513  0.487  0.004  1.0
  Pr  Pr12  1  0.513  0.026  0.004  1.0
  Pr  Pr13  1  0.974  0.487  0.004  1.0
  Pr  Pr14  1  0.000  0.000  0.497  1.0
  Pr  Pr15  1  0.000  0.000  0.997  1.0
  Sn  Sn16  1  0.833  0.167  0.271  1.0
  Sn  Sn17  1  0.833  0.666  0.271  1.0
  Sn  Sn18  1  0.334  0.167  0.271  1.0
  Sn  Sn19  1  0.167  0.833  0.771  1.0
  Sn  Sn20  1  0.167  0.334  0.771  1.0
  Sn  Sn21  1  0.666  0.833  0.771  1.0
  Sn  Sn22  1  0.667  0.333  0.730  1.0
  Sn  Sn23  1  0.333  0.667  0.230  1.0
[/CIF]
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The compound described by LiPrSn crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted trigonal planar geometry to two equivalent Pr(2), four equivalent Pr(1), one Sn(2), and two equivalent Sn(1) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to six equivalent Pr(1), one Sn(2), and three equivalent Sn(1) atoms. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 12-coordinate geometry to two equivalent Li(2), four equivalent Li(1), two equivalent Sn(2), and four equivalent Sn(1) atoms. In the second Pr site, Pr(2) is bonded in a 12-coordinate geometry to six equivalent Li(1) and six equivalent Sn(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to one Li(2), two equivalent Li(1), two equivalent Pr(2), and four equivalent Pr(1) atoms. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to one Li(2), three equivalent Li(1), and six equivalent Pr(1) atoms. is represented by the CIF card [CIF]
data_LiPrSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.598
_cell_length_b   9.598
_cell_length_c   7.764
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   619.385
_cell_formula_units_Z   8
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  0.834  0.166  0.712  1.0
  Li  Li1  1  0.834  0.667  0.712  1.0
  Li  Li2  1  0.333  0.166  0.712  1.0
  Li  Li3  1  0.166  0.834  0.212  1.0
  Li  Li4  1  0.166  0.333  0.212  1.0
  Li  Li5  1  0.667  0.834  0.212  1.0
  Li  Li6  1  0.667  0.333  0.340  1.0
  Li  Li7  1  0.333  0.667  0.840  1.0
  Pr  Pr8  1  0.487  0.513  0.504  1.0
  Pr  Pr9  1  0.487  0.974  0.504  1.0
  Pr  Pr10  1  0.026  0.513  0.504  1.0
  Pr  Pr11  1  0.513  0.487  0.004  1.0
  Pr  Pr12  1  0.513  0.026  0.004  1.0
  Pr  Pr13  1  0.974  0.487  0.004  1.0
  Pr  Pr14  1  0.000  0.000  0.497  1.0
  Pr  Pr15  1  0.000  0.000  0.997  1.0
  Sn  Sn16  1  0.833  0.167  0.271  1.0
  Sn  Sn17  1  0.833  0.666  0.271  1.0
  Sn  Sn18  1  0.334  0.167  0.271  1.0
  Sn  Sn19  1  0.167  0.833  0.771  1.0
  Sn  Sn20  1  0.167  0.334  0.771  1.0
  Sn  Sn21  1  0.666  0.833  0.771  1.0
  Sn  Sn22  1  0.667  0.333  0.730  1.0
  Sn  Sn23  1  0.333  0.667  0.230  1.0
[/CIF]
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