Li3Cr2(PO4)3 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted single-bond geometry to one P(1), one O(1), one O(17), and one O(8) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one Cr(1), one P(2), one O(16), and one O(4) atom. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to one P(2) and one O(8) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one Cr(1), one P(4), one O(11), one O(16), and one O(19) atom. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one Cr(4), one P(5), one O(21), and one O(9) atom. In the sixth Li site, Li(6) is bonded in a distorted single-bond geometry to one P(6), one O(17), one O(24), and one O(8) atom. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one O(16), and one O(7) atom. In the second Cr site, Cr(2) is bonded in a 2-coordinate geometry to one P(1) and one O(10) atom. In the third Cr site, Cr(3) is bonded in a 1-coordinate geometry to one P(6) and one O(15) atom. In the fourth Cr site, Cr(4) is bonded in a 3-coordinate geometry to one Li(5), one O(18), and one O(9) atom. There are six inequivalent P sites. In the first P site, P(1) is bonded in a 5-coordinate geometry to one Li(1), one Cr(2), one O(1), one O(2), and one O(8) atom. In the second P site, P(2) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one O(3), and one O(4) atom. In the third P site, P(3) is bonded in a 4-coordinate geometry to one O(12), one O(14), one O(5), and one O(7) atom. In the fourth P site, P(4) is bonded in a 5-coordinate geometry to one Li(4), one O(11), one O(13), one O(18), and one O(20) atom. In the fifth P site, P(5) is bonded in a 3-coordinate geometry to one Li(5), one O(21), and one O(22) atom. In the sixth P site, P(6) is bonded in a 5-coordinate geometry to one Li(6), one Cr(3), one O(17), one O(23), and one O(24) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted L-shaped geometry to one Li(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one P(1) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one P(2) and one O(6) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Li(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one P(3) and one O(20) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one O(3) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Cr(1), one P(3), and one O(12) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Li(6), and one P(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(5), one Cr(4), and one O(14) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Cr(2) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Li(4), one P(4), and one O(16) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one P(3) and one O(7) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one P(4) and one O(18) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one P(3), one O(15), and one O(9) atom. In the fifteenth O site, O(15) is bonded in a distorted single-bond geometry to one Cr(3) and one O(14) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one Cr(1), and one O(11) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Li(1), one Li(6), and one P(6) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 150 degrees geometry to one Cr(4), one P(4), and one O(13) atom. In the nineteenth O site, O(19) is bonded in a bent 120 degrees geometry to one Li(4) and one O(22) atom. In the twentieth O site, O(20) is bonded in a water-like geometry to one P(4) and one O(5) atom. In the twenty-first O site, O(21) is bonded in a distorted single-bond geometry to one Li(5) and one P(5) atom. In the twenty-second O site, O(22) is bonded in a 1-coordinate geometry to one P(5) and one O(19) atom. In the twenty-third O site, O(23) is bonded in a distorted single-bond geometry to one P(6) atom. In the twenty-fourth O site, O(24) is bonded in an L-shaped geometry to one Li(6) and one P(6) atom.
Li3Cr2(PO4)3 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted single-bond geometry to one P(1), one O(1), one O(17), and one O(8) atom. The Li(1)-P(1) bond length is 1.55 Å. The Li(1)-O(1) bond length is 1.23 Å. The Li(1)-O(17) bond length is 2.60 Å. The Li(1)-O(8) bond length is 2.21 Å. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one Cr(1), one P(2), one O(16), and one O(4) atom. The Li(2)-Cr(1) bond length is 1.38 Å. The Li(2)-P(2) bond length is 1.38 Å. The Li(2)-O(16) bond length is 1.92 Å. The Li(2)-O(4) bond length is 1.34 Å. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to one P(2) and one O(8) atom. The Li(3)-P(2) bond length is 2.00 Å. The Li(3)-O(8) bond length is 2.35 Å. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one Cr(1), one P(4), one O(11), one O(16), and one O(19) atom. The Li(4)-Cr(1) bond length is 1.40 Å. The Li(4)-P(4) bond length is 1.27 Å. The Li(4)-O(11) bond length is 1.38 Å. The Li(4)-O(16) bond length is 1.40 Å. The Li(4)-O(19) bond length is 2.34 Å. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one Cr(4), one P(5), one O(21), and one O(9) atom. The Li(5)-Cr(4) bond length is 1.46 Å. The Li(5)-P(5) bond length is 1.31 Å. The Li(5)-O(21) bond length is 1.34 Å. The Li(5)-O(9) bond length is 1.89 Å. In the sixth Li site, Li(6) is bonded in a distorted single-bond geometry to one P(6), one O(17), one O(24), and one O(8) atom. The Li(6)-P(6) bond length is 1.51 Å. The Li(6)-O(17) bond length is 2.18 Å. The Li(6)-O(24) bond length is 1.14 Å. The Li(6)-O(8) bond length is 2.55 Å. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one O(16), and one O(7) atom. The Cr(1)-O(16) bond length is 1.75 Å. The Cr(1)-O(7) bond length is 1.90 Å. In the second Cr site, Cr(2) is bonded in a 2-coordinate geometry to one P(1) and one O(10) atom. The Cr(2)-P(1) bond length is 1.48 Å. The Cr(2)-O(10) bond length is 1.37 Å. In the third Cr site, Cr(3) is bonded in a 1-coordinate geometry to one P(6) and one O(15) atom. The Cr(3)-P(6) bond length is 1.47 Å. The Cr(3)-O(15) bond length is 1.47 Å. In the fourth Cr site, Cr(4) is bonded in a 3-coordinate geometry to one Li(5), one O(18), and one O(9) atom. The Cr(4)-O(18) bond length is 1.92 Å. The Cr(4)-O(9) bond length is 1.72 Å. There are six inequivalent P sites. In the first P site, P(1) is bonded in a 5-coordinate geometry to one Li(1), one Cr(2), one O(1), one O(2), and one O(8) atom. The P(1)-O(1) bond length is 1.18 Å. The P(1)-O(2) bond length is 1.33 Å. The P(1)-O(8) bond length is 1.85 Å. In the second P site, P(2) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one O(3), and one O(4) atom. The P(2)-O(3) bond length is 1.98 Å. The P(2)-O(4) bond length is 1.61 Å. In the third P site, P(3) is bonded in a 4-coordinate geometry to one O(12), one O(14), one O(5), and one O(7) atom. The P(3)-O(12) bond length is 1.95 Å. The P(3)-O(14) bond length is 1.97 Å. The P(3)-O(5) bond length is 1.96 Å. The P(3)-O(7) bond length is 1.60 Å. In the fourth P site, P(4) is bonded in a 5-coordinate geometry to one Li(4), one O(11), one O(13), one O(18), and one O(20) atom. The P(4)-O(11) bond length is 1.80 Å. The P(4)-O(13) bond length is 1.97 Å. The P(4)-O(18) bond length is 1.59 Å. The P(4)-O(20) bond length is 2.03 Å. In the fifth P site, P(5) is bonded in a 3-coordinate geometry to one Li(5), one O(21), and one O(22) atom. The P(5)-O(21) bond length is 1.60 Å. The P(5)-O(22) bond length is 1.78 Å. In the sixth P site, P(6) is bonded in a 5-coordinate geometry to one Li(6), one Cr(3), one O(17), one O(23), and one O(24) atom. The P(6)-O(17) bond length is 1.87 Å. The P(6)-O(23) bond length is 1.33 Å. The P(6)-O(24) bond length is 1.14 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted L-shaped geometry to one Li(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one P(1) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one P(2) and one O(6) atom. The O(3)-O(6) bond length is 1.09 Å. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Li(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one P(3) and one O(20) atom. The O(5)-O(20) bond length is 1.31 Å. In the sixth O site, O(6) is bonded in a single-bond geometry to one O(3) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Cr(1), one P(3), and one O(12) atom. The O(7)-O(12) bond length is 1.73 Å. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Li(6), and one P(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(5), one Cr(4), and one O(14) atom. The O(9)-O(14) bond length is 1.47 Å. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Cr(2) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Li(4), one P(4), and one O(16) atom. The O(11)-O(16) bond length is 1.39 Å. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one P(3) and one O(7) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one P(4) and one O(18) atom. The O(13)-O(18) bond length is 1.78 Å. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one P(3), one O(15), and one O(9) atom. The O(14)-O(15) bond length is 1.35 Å. In the fifteenth O site, O(15) is bonded in a distorted single-bond geometry to one Cr(3) and one O(14) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one Cr(1), and one O(11) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Li(1), one Li(6), and one P(6) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 150 degrees geometry to one Cr(4), one P(4), and one O(13) atom. In the nineteenth O site, O(19) is bonded in a bent 120 degrees geometry to one Li(4) and one O(22) atom. The O(19)-O(22) bond length is 1.28 Å. In the twentieth O site, O(20) is bonded in a water-like geometry to one P(4) and one O(5) atom. In the twenty-first O site, O(21) is bonded in a distorted single-bond geometry to one Li(5) and one P(5) atom. In the twenty-second O site, O(22) is bonded in a 1-coordinate geometry to one P(5) and one O(19) atom. In the twenty-third O site, O(23) is bonded in a distorted single-bond geometry to one P(6) atom. In the twenty-fourth O site, O(24) is bonded in an L-shaped geometry to one Li(6) and one P(6) atom.