WTe3O12 crystallizes in the triclinic P-1 space group. W(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form WO6 octahedra that share corners with two equivalent Te(1)O6 octahedra and corners with four equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-36°. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form TeO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent Te(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-40°. In the second Te site, Te(2) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form TeO6 octahedra that share corners with two equivalent Te(3)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-40°. In the third Te site, Te(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form corner-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Te(1) and one Te(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one W(1) and one Te(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one W(1) and one Te(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Te(1) and one Te(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one W(1) and one Te(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Te(2) and one Te(3) atom.
WTe3O12 crystallizes in the triclinic P-1 space group. W(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form WO6 octahedra that share corners with two equivalent Te(1)O6 octahedra and corners with four equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-36°. Both W(1)-O(2) bond lengths are 1.96 Å. Both W(1)-O(3) bond lengths are 1.91 Å. Both W(1)-O(5) bond lengths are 1.91 Å. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form TeO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent Te(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-40°. Both Te(1)-O(1) bond lengths are 1.99 Å. Both Te(1)-O(2) bond lengths are 1.90 Å. Both Te(1)-O(4) bond lengths are 1.93 Å. In the second Te site, Te(2) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form TeO6 octahedra that share corners with two equivalent Te(3)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-40°. Both Te(2)-O(3) bond lengths are 1.95 Å. Both Te(2)-O(5) bond lengths are 1.95 Å. Both Te(2)-O(6) bond lengths are 1.98 Å. In the third Te site, Te(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form corner-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles are 40°. Both Te(3)-O(1) bond lengths are 1.93 Å. Both Te(3)-O(4) bond lengths are 1.99 Å. Both Te(3)-O(6) bond lengths are 1.93 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Te(1) and one Te(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one W(1) and one Te(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one W(1) and one Te(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Te(1) and one Te(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one W(1) and one Te(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Te(2) and one Te(3) atom.