The crystal structure described by LiTbP4O12 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(5) atoms. Tb(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing PO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(4) is bonded in a distorted bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Tb(1), and one P(2) atom. In the third O site, O(6) is bonded in a 2-coordinate geometry to one Tb(1) and one P(2) atom. In the fourth O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Tb(1) and one P(1) atom. In the fifth O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Tb(1), and one P(1) atom. In the sixth O site, O(3) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. is represented by the CIF card [CIF]
data_LiTb(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.980
_cell_length_b   8.980
_cell_length_c   9.732
_cell_angle_alpha   57.271
_cell_angle_beta   57.271
_cell_angle_gamma   46.818
_symmetry_Int_Tables_number   1
_cell_volume   462.382
_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  0.294  0.706  0.250  1.0
  Li  Li1  1  0.706  0.294  0.750  1.0
  Tb  Tb2  1  0.796  0.204  0.250  1.0
  Tb  Tb3  1  0.204  0.796  0.750  1.0
  P  P4  1  0.414  0.311  0.116  1.0
  P  P5  1  0.005  0.704  0.194  1.0
  P  P6  1  0.296  0.995  0.306  1.0
  P  P7  1  0.995  0.296  0.806  1.0
  P  P8  1  0.704  0.005  0.694  1.0
  P  P9  1  0.586  0.689  0.884  1.0
  P  P10  1  0.689  0.586  0.384  1.0
  P  P11  1  0.311  0.414  0.616  1.0
  O  O12  1  0.176  0.601  0.683  1.0
  O  O13  1  0.438  0.429  0.929  1.0
  O  O14  1  0.571  0.562  0.571  1.0
  O  O15  1  0.562  0.571  0.071  1.0
  O  O16  1  0.429  0.438  0.429  1.0
  O  O17  1  0.825  0.665  0.348  1.0
  O  O18  1  0.335  0.175  0.152  1.0
  O  O19  1  0.175  0.335  0.652  1.0
  O  O20  1  0.665  0.825  0.848  1.0
  O  O21  1  0.218  0.470  0.232  1.0
  O  O22  1  0.156  0.988  0.272  1.0
  O  O23  1  0.399  0.824  0.817  1.0
  O  O24  1  0.824  0.399  0.317  1.0
  O  O25  1  0.601  0.176  0.183  1.0
  O  O26  1  0.844  0.012  0.728  1.0
  O  O27  1  0.988  0.156  0.772  1.0
  O  O28  1  0.012  0.844  0.228  1.0
  O  O29  1  0.782  0.530  0.768  1.0
  O  O30  1  0.759  0.991  0.525  1.0
  O  O31  1  0.009  0.241  0.975  1.0
  O  O32  1  0.241  0.009  0.475  1.0
  O  O33  1  0.991  0.759  0.025  1.0
  O  O34  1  0.470  0.218  0.732  1.0
  O  O35  1  0.530  0.782  0.268  1.0
[/CIF]
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The crystal structure described by LiTbP4O12 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(5) atoms. Tb(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing PO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(4) is bonded in a distorted bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Tb(1), and one P(2) atom. In the third O site, O(6) is bonded in a 2-coordinate geometry to one Tb(1) and one P(2) atom. In the fourth O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Tb(1) and one P(1) atom. In the fifth O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Tb(1), and one P(1) atom. In the sixth O site, O(3) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. is represented by the CIF card [CIF]
data_LiTb(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.980
_cell_length_b   8.980
_cell_length_c   9.732
_cell_angle_alpha   57.271
_cell_angle_beta   57.271
_cell_angle_gamma   46.818
_symmetry_Int_Tables_number   1
_cell_volume   462.382
_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  0.294  0.706  0.250  1.0
  Li  Li1  1  0.706  0.294  0.750  1.0
  Tb  Tb2  1  0.796  0.204  0.250  1.0
  Tb  Tb3  1  0.204  0.796  0.750  1.0
  P  P4  1  0.414  0.311  0.116  1.0
  P  P5  1  0.005  0.704  0.194  1.0
  P  P6  1  0.296  0.995  0.306  1.0
  P  P7  1  0.995  0.296  0.806  1.0
  P  P8  1  0.704  0.005  0.694  1.0
  P  P9  1  0.586  0.689  0.884  1.0
  P  P10  1  0.689  0.586  0.384  1.0
  P  P11  1  0.311  0.414  0.616  1.0
  O  O12  1  0.176  0.601  0.683  1.0
  O  O13  1  0.438  0.429  0.929  1.0
  O  O14  1  0.571  0.562  0.571  1.0
  O  O15  1  0.562  0.571  0.071  1.0
  O  O16  1  0.429  0.438  0.429  1.0
  O  O17  1  0.825  0.665  0.348  1.0
  O  O18  1  0.335  0.175  0.152  1.0
  O  O19  1  0.175  0.335  0.652  1.0
  O  O20  1  0.665  0.825  0.848  1.0
  O  O21  1  0.218  0.470  0.232  1.0
  O  O22  1  0.156  0.988  0.272  1.0
  O  O23  1  0.399  0.824  0.817  1.0
  O  O24  1  0.824  0.399  0.317  1.0
  O  O25  1  0.601  0.176  0.183  1.0
  O  O26  1  0.844  0.012  0.728  1.0
  O  O27  1  0.988  0.156  0.772  1.0
  O  O28  1  0.012  0.844  0.228  1.0
  O  O29  1  0.782  0.530  0.768  1.0
  O  O30  1  0.759  0.991  0.525  1.0
  O  O31  1  0.009  0.241  0.975  1.0
  O  O32  1  0.241  0.009  0.475  1.0
  O  O33  1  0.991  0.759  0.025  1.0
  O  O34  1  0.470  0.218  0.732  1.0
  O  O35  1  0.530  0.782  0.268  1.0
[/CIF]
.