The crystal structure described by Li(YPO4)3 is Zircon-derived structured and crystallizes in the orthorhombic C222 space group. The structure consists of two 7439-93-2 atoms inside a YPO4 framework. In the YPO4 framework, there are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms to form distorted YO8 hexagonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Y(1)O8 hexagonal bipyramids, edges with two equivalent Y(2)O8 hexagonal bipyramids, and edges with two equivalent P(1)O4 tetrahedra. In the second Y site, Y(2) is bonded to four equivalent O(2) and four equivalent O(3) atoms to form distorted YO8 hexagonal bipyramids that share corners with four equivalent P(1)O4 tetrahedra, edges with four equivalent Y(1)O8 hexagonal bipyramids, and edges with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent Y(1)O8 hexagonal bipyramids, corners with two equivalent Y(2)O8 hexagonal bipyramids, and edges with two equivalent Y(1)O8 hexagonal bipyramids. In the second P site, P(2) is bonded to four equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Y(1)O8 hexagonal bipyramids and edges with two equivalent Y(2)O8 hexagonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Y(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Y(1), one Y(2), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Y(1), one Y(2), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiY3(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.332
_cell_length_b   6.966
_cell_length_c   6.966
_cell_angle_alpha   119.559
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   267.294
_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  0.500  0.000  0.000  1.0
  Y  Y1  1  0.330  0.000  0.500  1.0
  Y  Y2  1  0.670  0.500  0.000  1.0
  Y  Y3  1  0.000  0.500  0.500  1.0
  P  P4  1  0.833  0.000  0.500  1.0
  P  P5  1  0.167  0.500  0.000  1.0
  P  P6  1  0.500  0.500  0.500  1.0
  O  O7  1  0.682  0.861  0.305  1.0
  O  O8  1  0.016  0.445  0.142  1.0
  O  O9  1  0.349  0.697  0.559  1.0
  O  O10  1  0.682  0.139  0.695  1.0
  O  O11  1  0.016  0.555  0.858  1.0
  O  O12  1  0.349  0.303  0.441  1.0
  O  O13  1  0.651  0.559  0.697  1.0
  O  O14  1  0.318  0.305  0.861  1.0
  O  O15  1  0.984  0.142  0.445  1.0
  O  O16  1  0.651  0.441  0.303  1.0
  O  O17  1  0.318  0.695  0.139  1.0
  O  O18  1  0.984  0.858  0.555  1.0
[/CIF]
.
The crystal structure described by Li(YPO4)3 is Zircon-derived structured and crystallizes in the orthorhombic C222 space group. The structure consists of two 7439-93-2 atoms inside a YPO4 framework. In the YPO4 framework, there are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms to form distorted YO8 hexagonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Y(1)O8 hexagonal bipyramids, edges with two equivalent Y(2)O8 hexagonal bipyramids, and edges with two equivalent P(1)O4 tetrahedra. In the second Y site, Y(2) is bonded to four equivalent O(2) and four equivalent O(3) atoms to form distorted YO8 hexagonal bipyramids that share corners with four equivalent P(1)O4 tetrahedra, edges with four equivalent Y(1)O8 hexagonal bipyramids, and edges with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent Y(1)O8 hexagonal bipyramids, corners with two equivalent Y(2)O8 hexagonal bipyramids, and edges with two equivalent Y(1)O8 hexagonal bipyramids. In the second P site, P(2) is bonded to four equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Y(1)O8 hexagonal bipyramids and edges with two equivalent Y(2)O8 hexagonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Y(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Y(1), one Y(2), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Y(1), one Y(2), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiY3(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.332
_cell_length_b   6.966
_cell_length_c   6.966
_cell_angle_alpha   119.559
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   267.294
_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  0.500  0.000  0.000  1.0
  Y  Y1  1  0.330  0.000  0.500  1.0
  Y  Y2  1  0.670  0.500  0.000  1.0
  Y  Y3  1  0.000  0.500  0.500  1.0
  P  P4  1  0.833  0.000  0.500  1.0
  P  P5  1  0.167  0.500  0.000  1.0
  P  P6  1  0.500  0.500  0.500  1.0
  O  O7  1  0.682  0.861  0.305  1.0
  O  O8  1  0.016  0.445  0.142  1.0
  O  O9  1  0.349  0.697  0.559  1.0
  O  O10  1  0.682  0.139  0.695  1.0
  O  O11  1  0.016  0.555  0.858  1.0
  O  O12  1  0.349  0.303  0.441  1.0
  O  O13  1  0.651  0.559  0.697  1.0
  O  O14  1  0.318  0.305  0.861  1.0
  O  O15  1  0.984  0.142  0.445  1.0
  O  O16  1  0.651  0.441  0.303  1.0
  O  O17  1  0.318  0.695  0.139  1.0
  O  O18  1  0.984  0.858  0.555  1.0
[/CIF]
.