The compound described by Li3Tb4ZnSn8 crystallizes in the orthorhombic Pmm2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to four equivalent Tb(4), one Sn(6), two equivalent Sn(2), and two equivalent Sn(4) atoms. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to four equivalent Tb(1), one Sn(7), two equivalent Sn(1), and two equivalent Sn(3) atoms. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to four equivalent Tb(2), one Sn(8), two equivalent Sn(2), and two equivalent Sn(4) atoms. There are four inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 14-coordinate geometry to four equivalent Li(2), two equivalent Sn(1), two equivalent Sn(3), two equivalent Sn(6), and four equivalent Sn(7) atoms. In the second Tb site, Tb(2) is bonded in a 14-coordinate geometry to four equivalent Li(3), two equivalent Sn(2), two equivalent Sn(4), two equivalent Sn(5), and four equivalent Sn(8) atoms. In the third Tb site, Tb(3) is bonded in a 14-coordinate geometry to four equivalent Zn(1), two equivalent Sn(1), two equivalent Sn(3), two equivalent Sn(8), and four equivalent Sn(5) atoms. In the fourth Tb site, Tb(4) is bonded in a 14-coordinate geometry to four equivalent Li(1), two equivalent Sn(2), two equivalent Sn(4), two equivalent Sn(7), and four equivalent Sn(6) atoms. Zn(1) is bonded in a 9-coordinate geometry to four equivalent Tb(3), one Sn(5), two equivalent Sn(1), and two equivalent Sn(3) atoms. There are eight inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 4-coordinate geometry to two equivalent Li(2), two equivalent Tb(1), two equivalent Tb(3), and two equivalent Zn(1) atoms. In the second Sn site, Sn(2) is bonded to two equivalent Li(1), two equivalent Li(3), two equivalent Tb(2), and two equivalent Tb(4) atoms to form a mixture of distorted face and edge-sharing SnLi4Tb4 tetrahedra. In the third Sn site, Sn(3) is bonded in a 4-coordinate geometry to two equivalent Li(2), two equivalent Tb(1), two equivalent Tb(3), and two equivalent Zn(1) atoms. In the fourth Sn site, Sn(4) is bonded to two equivalent Li(1), two equivalent Li(3), two equivalent Tb(2), and two equivalent Tb(4) atoms to form a mixture of distorted face and edge-sharing SnLi4Tb4 tetrahedra. In the fifth Sn site, Sn(5) is bonded in a distorted single-bond geometry to two equivalent Tb(2), four equivalent Tb(3), one Zn(1), and two equivalent Sn(8) atoms. In the sixth Sn site, Sn(6) is bonded in a distorted single-bond geometry to one Li(1), two equivalent Tb(1), and four equivalent Tb(4) atoms. In the seventh Sn site, Sn(7) is bonded in a distorted single-bond geometry to one Li(2), two equivalent Tb(4), and four equivalent Tb(1) atoms. In the eighth Sn site, Sn(8) is bonded in a distorted single-bond geometry to one Li(3), two equivalent Tb(3), four equivalent Tb(2), and two equivalent Sn(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Tb4ZnSn8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.686
_cell_length_b   4.341
_cell_length_c   18.953
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   385.508
_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  Li0  1  0.250  0.500  0.675  1.0
  Li  Li1  1  0.750  0.500  0.328  1.0
  Li  Li2  1  0.750  0.000  0.825  1.0
  Tb  Tb3  1  0.250  0.000  0.405  1.0
  Tb  Tb4  1  0.250  0.500  0.891  1.0
  Tb  Tb5  1  0.750  0.500  0.106  1.0
  Tb  Tb6  1  0.750  0.000  0.606  1.0
  Zn  Zn7  1  0.250  0.000  0.167  1.0
  Sn  Sn8  1  0.250  0.500  0.256  1.0
  Sn  Sn9  1  0.250  0.000  0.753  1.0
  Sn  Sn10  1  0.750  0.000  0.247  1.0
  Sn  Sn11  1  0.750  0.500  0.746  1.0
  Sn  Sn12  1  0.250  0.000  0.034  1.0
  Sn  Sn13  1  0.250  0.500  0.544  1.0
  Sn  Sn14  1  0.750  0.500  0.460  1.0
  Sn  Sn15  1  0.750  0.000  0.955  1.0
[/CIF]
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The compound described by Li3Tb4ZnSn8 crystallizes in the orthorhombic Pmm2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to four equivalent Tb(4), one Sn(6), two equivalent Sn(2), and two equivalent Sn(4) atoms. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to four equivalent Tb(1), one Sn(7), two equivalent Sn(1), and two equivalent Sn(3) atoms. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to four equivalent Tb(2), one Sn(8), two equivalent Sn(2), and two equivalent Sn(4) atoms. There are four inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 14-coordinate geometry to four equivalent Li(2), two equivalent Sn(1), two equivalent Sn(3), two equivalent Sn(6), and four equivalent Sn(7) atoms. In the second Tb site, Tb(2) is bonded in a 14-coordinate geometry to four equivalent Li(3), two equivalent Sn(2), two equivalent Sn(4), two equivalent Sn(5), and four equivalent Sn(8) atoms. In the third Tb site, Tb(3) is bonded in a 14-coordinate geometry to four equivalent Zn(1), two equivalent Sn(1), two equivalent Sn(3), two equivalent Sn(8), and four equivalent Sn(5) atoms. In the fourth Tb site, Tb(4) is bonded in a 14-coordinate geometry to four equivalent Li(1), two equivalent Sn(2), two equivalent Sn(4), two equivalent Sn(7), and four equivalent Sn(6) atoms. Zn(1) is bonded in a 9-coordinate geometry to four equivalent Tb(3), one Sn(5), two equivalent Sn(1), and two equivalent Sn(3) atoms. There are eight inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 4-coordinate geometry to two equivalent Li(2), two equivalent Tb(1), two equivalent Tb(3), and two equivalent Zn(1) atoms. In the second Sn site, Sn(2) is bonded to two equivalent Li(1), two equivalent Li(3), two equivalent Tb(2), and two equivalent Tb(4) atoms to form a mixture of distorted face and edge-sharing SnLi4Tb4 tetrahedra. In the third Sn site, Sn(3) is bonded in a 4-coordinate geometry to two equivalent Li(2), two equivalent Tb(1), two equivalent Tb(3), and two equivalent Zn(1) atoms. In the fourth Sn site, Sn(4) is bonded to two equivalent Li(1), two equivalent Li(3), two equivalent Tb(2), and two equivalent Tb(4) atoms to form a mixture of distorted face and edge-sharing SnLi4Tb4 tetrahedra. In the fifth Sn site, Sn(5) is bonded in a distorted single-bond geometry to two equivalent Tb(2), four equivalent Tb(3), one Zn(1), and two equivalent Sn(8) atoms. In the sixth Sn site, Sn(6) is bonded in a distorted single-bond geometry to one Li(1), two equivalent Tb(1), and four equivalent Tb(4) atoms. In the seventh Sn site, Sn(7) is bonded in a distorted single-bond geometry to one Li(2), two equivalent Tb(4), and four equivalent Tb(1) atoms. In the eighth Sn site, Sn(8) is bonded in a distorted single-bond geometry to one Li(3), two equivalent Tb(3), four equivalent Tb(2), and two equivalent Sn(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Tb4ZnSn8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.686
_cell_length_b   4.341
_cell_length_c   18.953
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   385.508
_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  Li0  1  0.250  0.500  0.675  1.0
  Li  Li1  1  0.750  0.500  0.328  1.0
  Li  Li2  1  0.750  0.000  0.825  1.0
  Tb  Tb3  1  0.250  0.000  0.405  1.0
  Tb  Tb4  1  0.250  0.500  0.891  1.0
  Tb  Tb5  1  0.750  0.500  0.106  1.0
  Tb  Tb6  1  0.750  0.000  0.606  1.0
  Zn  Zn7  1  0.250  0.000  0.167  1.0
  Sn  Sn8  1  0.250  0.500  0.256  1.0
  Sn  Sn9  1  0.250  0.000  0.753  1.0
  Sn  Sn10  1  0.750  0.000  0.247  1.0
  Sn  Sn11  1  0.750  0.500  0.746  1.0
  Sn  Sn12  1  0.250  0.000  0.034  1.0
  Sn  Sn13  1  0.250  0.500  0.544  1.0
  Sn  Sn14  1  0.750  0.500  0.460  1.0
  Sn  Sn15  1  0.750  0.000  0.955  1.0
[/CIF]
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