The crystal structure described by LiTb2(PO4)2 crystallizes in the monoclinic C2 space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and  an edgeedge with one P(2)O4 tetrahedra. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Tb site, Tb(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra. In the second P site, P(2) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form PO4 tetrahedra that share  an edgeedge with one Li(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Tb(1), one Tb(2), and one P(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Tb(1), one Tb(2), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Tb(1), one Tb(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Tb(1), one Tb(2), and one P(2) atom. is represented by the CIF file [CIF]
data_LiTb2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.034
_cell_length_b   6.034
_cell_length_c   5.984
_cell_angle_alpha   106.011
_cell_angle_beta   106.011
_cell_angle_gamma   118.924
_symmetry_Int_Tables_number   1
_cell_volume   160.171
_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  0.859  0.141  0.250  1.0
  Tb  Tb1  1  0.144  0.856  0.250  1.0
  Tb  Tb2  1  0.877  0.123  0.750  1.0
  P  P3  1  0.374  0.626  0.750  1.0
  P  P4  1  0.617  0.383  0.250  1.0
  O  O5  1  0.773  0.356  0.082  1.0
  O  O6  1  0.706  0.791  0.935  1.0
  O  O7  1  0.369  0.785  0.587  1.0
  O  O8  1  0.792  0.713  0.423  1.0
  O  O9  1  0.287  0.208  0.077  1.0
  O  O10  1  0.215  0.631  0.913  1.0
  O  O11  1  0.209  0.294  0.565  1.0
  O  O12  1  0.644  0.227  0.418  1.0
[/CIF]
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The crystal structure described by LiTb2(PO4)2 crystallizes in the monoclinic C2 space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and  an edgeedge with one P(2)O4 tetrahedra. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Tb site, Tb(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra. In the second P site, P(2) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form PO4 tetrahedra that share  an edgeedge with one Li(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Tb(1), one Tb(2), and one P(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Tb(1), one Tb(2), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Tb(1), one Tb(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Tb(1), one Tb(2), and one P(2) atom. is represented by the CIF file [CIF]
data_LiTb2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.034
_cell_length_b   6.034
_cell_length_c   5.984
_cell_angle_alpha   106.011
_cell_angle_beta   106.011
_cell_angle_gamma   118.924
_symmetry_Int_Tables_number   1
_cell_volume   160.171
_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  0.859  0.141  0.250  1.0
  Tb  Tb1  1  0.144  0.856  0.250  1.0
  Tb  Tb2  1  0.877  0.123  0.750  1.0
  P  P3  1  0.374  0.626  0.750  1.0
  P  P4  1  0.617  0.383  0.250  1.0
  O  O5  1  0.773  0.356  0.082  1.0
  O  O6  1  0.706  0.791  0.935  1.0
  O  O7  1  0.369  0.785  0.587  1.0
  O  O8  1  0.792  0.713  0.423  1.0
  O  O9  1  0.287  0.208  0.077  1.0
  O  O10  1  0.215  0.631  0.913  1.0
  O  O11  1  0.209  0.294  0.565  1.0
  O  O12  1  0.644  0.227  0.418  1.0
[/CIF]
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