LiWP4O12 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(17), one O(18), one O(2), one O(21), and one O(5) atom to form distorted LiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra,  an edgeedge with one W(1)O6 octahedra, and  an edgeedge with one W(2)O6 octahedra. In the second Li site, Li(2) is bonded to one O(13), one O(20), one O(23), one O(4), one O(7), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  an edgeedge with one W(1)O6 octahedra, and  an edgeedge with one W(2)O6 octahedra. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(18), one O(20), one O(24), one O(5), and one O(7) atom to form WO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one Li(2)O6 octahedra. In the second W site, W(2) is bonded to one O(10), one O(12), one O(13), one O(15), one O(2), and one O(23) atom to form WO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one Li(2)O6 octahedra. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(13), one O(19), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one W(1)O6 octahedra,  a cornercorner with one W(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 24-56°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one W(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-60°. In the third P site, P(3) is bonded to one O(11), one O(18), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one W(1)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 22-60°. In the fourth P site, P(4) is bonded to one O(10), one O(14), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one W(1)O6 octahedra,  a cornercorner with one W(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-56°. In the fifth P site, P(5) is bonded to one O(11), one O(15), one O(16), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one W(1)O6 octahedra,  a cornercorner with one W(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-56°. In the sixth P site, P(6) is bonded to one O(14), one O(16), one O(17), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one W(1)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 24-58°. In the seventh P site, P(7) is bonded to one O(19), one O(21), one O(22), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one W(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-59°. In the eighth P site, P(8) is bonded to one O(12), one O(22), one O(24), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one W(1)O6 octahedra,  a cornercorner with one W(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 24-56°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one W(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one W(2), and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Li(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one W(1), and one P(4) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(2) and one P(8) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one W(1), and one P(6) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Li(2) and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one P(3) and one P(4) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one W(2) and one P(4) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one P(3) and one P(5) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(1), one W(2), and one P(8) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(2), one W(2), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one P(4) and one P(6) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one W(2) and one P(5) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one P(5) and one P(6) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one Li(1) and one P(6) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Li(1), one W(1), and one P(3) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one P(1) and one P(7) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Li(2), one W(1), and one P(5) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Li(1) and one P(7) atom. In the twenty-second O site, O(22) is bonded in a distorted bent 150 degrees geometry to one P(7) and one P(8) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(2), one W(2), and one P(7) atom. In the twenty-fourth O site, O(24) is bonded in a distorted bent 150 degrees geometry to one W(1) and one P(8) atom.
LiWP4O12 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(17), one O(18), one O(2), one O(21), and one O(5) atom to form distorted LiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra,  an edgeedge with one W(1)O6 octahedra, and  an edgeedge with one W(2)O6 octahedra. The Li(1)-O(12) bond length is 2.38 Å. The Li(1)-O(17) bond length is 1.95 Å. The Li(1)-O(18) bond length is 2.50 Å. The Li(1)-O(2) bond length is 2.53 Å. The Li(1)-O(21) bond length is 1.96 Å. The Li(1)-O(5) bond length is 2.36 Å. In the second Li site, Li(2) is bonded to one O(13), one O(20), one O(23), one O(4), one O(7), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  an edgeedge with one W(1)O6 octahedra, and  an edgeedge with one W(2)O6 octahedra. The Li(2)-O(13) bond length is 2.39 Å. The Li(2)-O(20) bond length is 2.33 Å. The Li(2)-O(23) bond length is 2.49 Å. The Li(2)-O(4) bond length is 1.97 Å. The Li(2)-O(7) bond length is 2.44 Å. The Li(2)-O(8) bond length is 1.96 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(18), one O(20), one O(24), one O(5), and one O(7) atom to form WO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one Li(2)O6 octahedra. The W(1)-O(1) bond length is 2.14 Å. The W(1)-O(18) bond length is 2.16 Å. The W(1)-O(20) bond length is 2.17 Å. The W(1)-O(24) bond length is 2.14 Å. The W(1)-O(5) bond length is 2.17 Å. The W(1)-O(7) bond length is 2.17 Å. In the second W site, W(2) is bonded to one O(10), one O(12), one O(13), one O(15), one O(2), and one O(23) atom to form WO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one Li(2)O6 octahedra. The W(2)-O(10) bond length is 2.14 Å. The W(2)-O(12) bond length is 2.17 Å. The W(2)-O(13) bond length is 2.17 Å. The W(2)-O(15) bond length is 2.14 Å. The W(2)-O(2) bond length is 2.17 Å. The W(2)-O(23) bond length is 2.17 Å. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(13), one O(19), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one W(1)O6 octahedra,  a cornercorner with one W(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 24-56°. The P(1)-O(1) bond length is 1.49 Å. The P(1)-O(13) bond length is 1.52 Å. The P(1)-O(19) bond length is 1.61 Å. The P(1)-O(3) bond length is 1.61 Å. In the second P site, P(2) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one W(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-60°. The P(2)-O(2) bond length is 1.53 Å. The P(2)-O(3) bond length is 1.64 Å. The P(2)-O(4) bond length is 1.47 Å. The P(2)-O(6) bond length is 1.62 Å. In the third P site, P(3) is bonded to one O(11), one O(18), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one W(1)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 22-60°. The P(3)-O(11) bond length is 1.64 Å. The P(3)-O(18) bond length is 1.53 Å. The P(3)-O(8) bond length is 1.47 Å. The P(3)-O(9) bond length is 1.62 Å. In the fourth P site, P(4) is bonded to one O(10), one O(14), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one W(1)O6 octahedra,  a cornercorner with one W(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-56°. The P(4)-O(10) bond length is 1.49 Å. The P(4)-O(14) bond length is 1.60 Å. The P(4)-O(5) bond length is 1.52 Å. The P(4)-O(9) bond length is 1.61 Å. In the fifth P site, P(5) is bonded to one O(11), one O(15), one O(16), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one W(1)O6 octahedra,  a cornercorner with one W(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-56°. The P(5)-O(11) bond length is 1.60 Å. The P(5)-O(15) bond length is 1.49 Å. The P(5)-O(16) bond length is 1.61 Å. The P(5)-O(20) bond length is 1.52 Å. In the sixth P site, P(6) is bonded to one O(14), one O(16), one O(17), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one W(1)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 24-58°. The P(6)-O(14) bond length is 1.64 Å. The P(6)-O(16) bond length is 1.62 Å. The P(6)-O(17) bond length is 1.47 Å. The P(6)-O(7) bond length is 1.53 Å. In the seventh P site, P(7) is bonded to one O(19), one O(21), one O(22), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one W(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-59°. The P(7)-O(19) bond length is 1.62 Å. The P(7)-O(21) bond length is 1.47 Å. The P(7)-O(22) bond length is 1.64 Å. The P(7)-O(23) bond length is 1.53 Å. In the eighth P site, P(8) is bonded to one O(12), one O(22), one O(24), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one W(1)O6 octahedra,  a cornercorner with one W(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 24-56°. The P(8)-O(12) bond length is 1.52 Å. The P(8)-O(22) bond length is 1.60 Å. The P(8)-O(24) bond length is 1.49 Å. The P(8)-O(6) bond length is 1.61 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one W(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one W(2), and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Li(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one W(1), and one P(4) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(2) and one P(8) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one W(1), and one P(6) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Li(2) and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one P(3) and one P(4) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one W(2) and one P(4) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one P(3) and one P(5) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(1), one W(2), and one P(8) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(2), one W(2), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one P(4) and one P(6) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one W(2) and one P(5) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one P(5) and one P(6) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one Li(1) and one P(6) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Li(1), one W(1), and one P(3) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one P(1) and one P(7) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Li(2), one W(1), and one P(5) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Li(1) and one P(7) atom. In the twenty-second O site, O(22) is bonded in a distorted bent 150 degrees geometry to one P(7) and one P(8) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(2), one W(2), and one P(7) atom. In the twenty-fourth O site, O(24) is bonded in a distorted bent 150 degrees geometry to one W(1) and one P(8) atom.