LiCaPrTeO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share corners with six equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-37°. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. Pr(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. Te(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TeO6 octahedra that share corners with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-37°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Ca(1), one Pr(1), and one Te(1) atom to form distorted corner-sharing OLiCaPrTe tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Ca(1), one Pr(1), and one Te(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Ca(1), one Pr(1), and one Te(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(1), one Ca(1), two equivalent Pr(1), and one Te(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), one Ca(1), two equivalent Pr(1), and one Te(1) atom. In the sixth O site, O(6) is bonded to one Li(1), one Ca(1), one Pr(1), and one Te(1) atom to form distorted corner-sharing OLiCaPrTe tetrahedra.
LiCaPrTeO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share corners with six equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-37°. The Li(1)-O(1) bond length is 2.13 Å. The Li(1)-O(2) bond length is 2.13 Å. The Li(1)-O(3) bond length is 2.06 Å. The Li(1)-O(4) bond length is 2.43 Å. The Li(1)-O(5) bond length is 2.37 Å. The Li(1)-O(6) bond length is 2.10 Å. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. The Ca(1)-O(1) bond length is 2.43 Å. The Ca(1)-O(4) bond length is 2.39 Å. The Ca(1)-O(5) bond length is 2.42 Å. The Ca(1)-O(6) bond length is 2.36 Å. There is one shorter (2.69 Å) and one longer (2.75 Å) Ca(1)-O(2) bond length. There is one shorter (2.66 Å) and one longer (2.73 Å) Ca(1)-O(3) bond length. Pr(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. The Pr(1)-O(1) bond length is 2.41 Å. The Pr(1)-O(2) bond length is 2.42 Å. The Pr(1)-O(3) bond length is 2.43 Å. The Pr(1)-O(6) bond length is 2.44 Å. Both Pr(1)-O(4) bond lengths are 2.67 Å. There is one shorter (2.60 Å) and one longer (2.78 Å) Pr(1)-O(5) bond length. Te(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TeO6 octahedra that share corners with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-37°. The Te(1)-O(1) bond length is 1.95 Å. The Te(1)-O(2) bond length is 1.95 Å. The Te(1)-O(3) bond length is 1.95 Å. The Te(1)-O(4) bond length is 1.95 Å. The Te(1)-O(5) bond length is 1.97 Å. The Te(1)-O(6) bond length is 1.95 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Ca(1), one Pr(1), and one Te(1) atom to form distorted corner-sharing OLiCaPrTe tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Ca(1), one Pr(1), and one Te(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Ca(1), one Pr(1), and one Te(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(1), one Ca(1), two equivalent Pr(1), and one Te(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), one Ca(1), two equivalent Pr(1), and one Te(1) atom. In the sixth O site, O(6) is bonded to one Li(1), one Ca(1), one Pr(1), and one Te(1) atom to form distorted corner-sharing OLiCaPrTe tetrahedra.