Li7VP4 crystallizes in the triclinic P1 space group. There are fourteen inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one P(3) and two equivalent P(2) atoms. In the second Li site, Li(2) is bonded in a single-bond geometry to one P(2) atom. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to one P(4) and one P(8) atom. In the fourth Li site, Li(4) is bonded in a linear geometry to one P(2) and one P(6) atom. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one P(1), one P(2), one P(4), and two equivalent P(8) atoms. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one P(5), one P(7), and two equivalent P(6) atoms. In the seventh Li site, Li(7) is bonded in a 4-coordinate geometry to one V(1), one P(2), one P(4), one P(5), and two equivalent P(3) atoms. In the eighth Li site, Li(8) is bonded in a 3-coordinate geometry to one P(1), one P(5), and one P(7) atom. In the ninth Li site, Li(9) is bonded in a 2-coordinate geometry to one P(3) and one P(4) atom. In the tenth Li site, Li(10) is bonded in a 3-coordinate geometry to one P(1), one P(6), and two equivalent P(5) atoms. In the eleventh Li site, Li(11) is bonded in a distorted single-bond geometry to one P(7) atom. In the twelfth Li site, Li(12) is bonded in a 5-coordinate geometry to one V(1), one P(1), one P(8), and two equivalent P(7) atoms. In the thirteenth Li site, Li(13) is bonded in a distorted L-shaped geometry to one P(2) and one P(8) atom. In the fourteenth Li site, Li(14) is bonded in a distorted single-bond geometry to one P(6) and one P(7) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 9-coordinate geometry to one Li(12), one Li(7), one P(3), one P(5), one P(6), one P(7), one P(8), and two equivalent P(4) atoms. In the second V site, V(2) is bonded in a 6-coordinate geometry to one P(2), one P(3), one P(5), one P(8), and two equivalent P(1) atoms. There are eight inequivalent P sites. In the first P site, P(1) is bonded in a 7-coordinate geometry to one Li(10), one Li(12), one Li(5), one Li(8), two equivalent V(2), and one P(5) atom. In the second P site, P(2) is bonded in a 8-coordinate geometry to one Li(13), one Li(2), one Li(4), one Li(5), one Li(7), two equivalent Li(1), and one V(2) atom. In the third P site, P(3) is bonded in a 6-coordinate geometry to one Li(1), one Li(9), two equivalent Li(7), one V(1), and one V(2) atom. In the fourth P site, P(4) is bonded in a 6-coordinate geometry to one Li(3), one Li(5), one Li(7), one Li(9), two equivalent V(1), and one P(7) atom. In the fifth P site, P(5) is bonded in a 8-coordinate geometry to one Li(6), one Li(7), one Li(8), two equivalent Li(10), one V(1), one V(2), and one P(1) atom. In the sixth P site, P(6) is bonded in a 7-coordinate geometry to one Li(10), one Li(14), one Li(4), two equivalent Li(6), one V(1), and one P(7) atom. In the seventh P site, P(7) is bonded in a 9-coordinate geometry to one Li(11), one Li(14), one Li(6), one Li(8), two equivalent Li(12), one V(1), one P(4), and one P(6) atom. In the eighth P site, P(8) is bonded in a 7-coordinate geometry to one Li(12), one Li(13), one Li(3), two equivalent Li(5), one V(1), and one V(2) atom.
Li7VP4 crystallizes in the triclinic P1 space group. There are fourteen inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one P(3) and two equivalent P(2) atoms. The Li(1)-P(3) bond length is 2.39 Å. There is one shorter (2.47 Å) and one longer (2.54 Å) Li(1)-P(2) bond length. In the second Li site, Li(2) is bonded in a single-bond geometry to one P(2) atom. The Li(2)-P(2) bond length is 2.29 Å. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to one P(4) and one P(8) atom. The Li(3)-P(4) bond length is 2.28 Å. The Li(3)-P(8) bond length is 2.27 Å. In the fourth Li site, Li(4) is bonded in a linear geometry to one P(2) and one P(6) atom. The Li(4)-P(2) bond length is 2.26 Å. The Li(4)-P(6) bond length is 2.26 Å. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one P(1), one P(2), one P(4), and two equivalent P(8) atoms. The Li(5)-P(1) bond length is 2.45 Å. The Li(5)-P(2) bond length is 2.32 Å. The Li(5)-P(4) bond length is 2.49 Å. There is one shorter (2.40 Å) and one longer (2.55 Å) Li(5)-P(8) bond length. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one P(5), one P(7), and two equivalent P(6) atoms. The Li(6)-P(5) bond length is 2.57 Å. The Li(6)-P(7) bond length is 2.64 Å. There is one shorter (2.34 Å) and one longer (2.37 Å) Li(6)-P(6) bond length. In the seventh Li site, Li(7) is bonded in a 4-coordinate geometry to one V(1), one P(2), one P(4), one P(5), and two equivalent P(3) atoms. The Li(7)-V(1) bond length is 2.81 Å. The Li(7)-P(2) bond length is 2.28 Å. The Li(7)-P(4) bond length is 2.40 Å. The Li(7)-P(5) bond length is 2.73 Å. There is one shorter (2.39 Å) and one longer (2.43 Å) Li(7)-P(3) bond length. In the eighth Li site, Li(8) is bonded in a 3-coordinate geometry to one P(1), one P(5), and one P(7) atom. The Li(8)-P(1) bond length is 2.40 Å. The Li(8)-P(5) bond length is 2.52 Å. The Li(8)-P(7) bond length is 2.59 Å. In the ninth Li site, Li(9) is bonded in a 2-coordinate geometry to one P(3) and one P(4) atom. The Li(9)-P(3) bond length is 2.45 Å. The Li(9)-P(4) bond length is 2.40 Å. In the tenth Li site, Li(10) is bonded in a 3-coordinate geometry to one P(1), one P(6), and two equivalent P(5) atoms. The Li(10)-P(1) bond length is 2.36 Å. The Li(10)-P(6) bond length is 2.32 Å. There is one shorter (2.38 Å) and one longer (2.66 Å) Li(10)-P(5) bond length. In the eleventh Li site, Li(11) is bonded in a distorted single-bond geometry to one P(7) atom. The Li(11)-P(7) bond length is 2.38 Å. In the twelfth Li site, Li(12) is bonded in a 5-coordinate geometry to one V(1), one P(1), one P(8), and two equivalent P(7) atoms. The Li(12)-V(1) bond length is 2.68 Å. The Li(12)-P(1) bond length is 2.50 Å. The Li(12)-P(8) bond length is 2.50 Å. There is one shorter (2.51 Å) and one longer (2.56 Å) Li(12)-P(7) bond length. In the thirteenth Li site, Li(13) is bonded in a distorted L-shaped geometry to one P(2) and one P(8) atom. The Li(13)-P(2) bond length is 2.29 Å. The Li(13)-P(8) bond length is 2.37 Å. In the fourteenth Li site, Li(14) is bonded in a distorted single-bond geometry to one P(6) and one P(7) atom. The Li(14)-P(6) bond length is 2.26 Å. The Li(14)-P(7) bond length is 2.68 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 9-coordinate geometry to one Li(12), one Li(7), one P(3), one P(5), one P(6), one P(7), one P(8), and two equivalent P(4) atoms. The V(1)-P(3) bond length is 2.33 Å. The V(1)-P(5) bond length is 2.46 Å. The V(1)-P(6) bond length is 2.29 Å. The V(1)-P(7) bond length is 2.64 Å. The V(1)-P(8) bond length is 2.37 Å. There is one shorter (2.47 Å) and one longer (2.49 Å) V(1)-P(4) bond length. In the second V site, V(2) is bonded in a 6-coordinate geometry to one P(2), one P(3), one P(5), one P(8), and two equivalent P(1) atoms. The V(2)-P(2) bond length is 2.39 Å. The V(2)-P(3) bond length is 2.36 Å. The V(2)-P(5) bond length is 2.37 Å. The V(2)-P(8) bond length is 2.32 Å. There is one shorter (2.45 Å) and one longer (2.48 Å) V(2)-P(1) bond length. There are eight inequivalent P sites. In the first P site, P(1) is bonded in a 7-coordinate geometry to one Li(10), one Li(12), one Li(5), one Li(8), two equivalent V(2), and one P(5) atom. The P(1)-P(5) bond length is 2.25 Å. In the second P site, P(2) is bonded in a 8-coordinate geometry to one Li(13), one Li(2), one Li(4), one Li(5), one Li(7), two equivalent Li(1), and one V(2) atom. In the third P site, P(3) is bonded in a 6-coordinate geometry to one Li(1), one Li(9), two equivalent Li(7), one V(1), and one V(2) atom. In the fourth P site, P(4) is bonded in a 6-coordinate geometry to one Li(3), one Li(5), one Li(7), one Li(9), two equivalent V(1), and one P(7) atom. The P(4)-P(7) bond length is 2.64 Å. In the fifth P site, P(5) is bonded in a 8-coordinate geometry to one Li(6), one Li(7), one Li(8), two equivalent Li(10), one V(1), one V(2), and one P(1) atom. In the sixth P site, P(6) is bonded in a 7-coordinate geometry to one Li(10), one Li(14), one Li(4), two equivalent Li(6), one V(1), and one P(7) atom. The P(6)-P(7) bond length is 2.17 Å. In the seventh P site, P(7) is bonded in a 9-coordinate geometry to one Li(11), one Li(14), one Li(6), one Li(8), two equivalent Li(12), one V(1), one P(4), and one P(6) atom. In the eighth P site, P(8) is bonded in a 7-coordinate geometry to one Li(12), one Li(13), one Li(3), two equivalent Li(5), one V(1), and one V(2) atom.