Li2CAsPO7 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. As(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), and two equivalent O(4) atoms. P(1) is bonded in a tetrahedral geometry to one O(5), one O(6), and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal pyramidal geometry to two equivalent Li(1), one C(1), and one As(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Li(1), one C(1), and one As(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one As(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to two equivalent Li(1), one As(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one P(1) atom.
Li2CAsPO7 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The Li(1)-O(1) bond length is 2.00 Å. The Li(1)-O(2) bond length is 2.46 Å. The Li(1)-O(3) bond length is 2.53 Å. The Li(1)-O(4) bond length is 2.07 Å. The Li(1)-O(5) bond length is 2.61 Å. The Li(1)-O(6) bond length is 2.06 Å. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. The C(1)-O(1) bond length is 1.25 Å. The C(1)-O(2) bond length is 1.38 Å. The C(1)-O(3) bond length is 1.29 Å. As(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), and two equivalent O(4) atoms. The As(1)-O(2) bond length is 1.89 Å. The As(1)-O(3) bond length is 2.37 Å. The As(1)-O(5) bond length is 1.95 Å. Both As(1)-O(4) bond lengths are 2.09 Å. P(1) is bonded in a tetrahedral geometry to one O(5), one O(6), and two equivalent O(4) atoms. The P(1)-O(5) bond length is 1.60 Å. The P(1)-O(6) bond length is 1.52 Å. Both P(1)-O(4) bond lengths are 1.55 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal pyramidal geometry to two equivalent Li(1), one C(1), and one As(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Li(1), one C(1), and one As(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one As(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to two equivalent Li(1), one As(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one P(1) atom.