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.
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. Both Y(1)-O(2) bond lengths are 2.51 Å. Both Y(1)-O(3) bond lengths are 2.35 Å. There are two shorter (2.36 Å) and two longer (2.54 Å) Y(1)-O(1) bond lengths. 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. All Y(2)-O(2) bond lengths are 2.34 Å. All Y(2)-O(3) bond lengths are 2.53 Å. 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. Both P(1)-O(1) bond lengths are 1.55 Å. Both P(1)-O(2) bond lengths are 1.55 Å. 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. All P(2)-O(3) bond lengths are 1.55 Å. 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.