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Materials Data on LaCuTeO by Materials Project

LaCuOTe is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La3+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four equivalent O2- atoms. All La–Te bond lengths are 3.49 Å. All La–O bond lengths are 2.40 Å. Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra, corners with twelve equivalent OLa4Te4 tetrahedra, edges with two equivalent OLa4Te4 tetrahedra, and edges with four equivalent CuTe4 tetrahedra. All Cu–Te bond lengths are 2.66 Å. Te2- is bonded in a 12-coordinate geometry to four equivalent La3+, four equivalent Cu1+, and four equivalent O2- atoms. All Te–O bond lengths are 3.69 Å. O2- is bonded to four equivalent La3+ and four equivalent Te2- atoms to form OLa4Te4 tetrahedra that share corners with twelve equivalent CuTe4 tetrahedra, edges with two equivalent CuTe4 tetrahedra, edges with four equivalent OLa4Te4 tetrahedra, and faces with four equivalent OLa4Te4 tetrahedra.

36 MATERIALS SCIENCE↗

Materials Data on La4Cu3TeO12 by Materials Project

La4Cu3TeO12 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Im-3m space group. The structure is three-dimensional. La3+ is bonded to twelve O2- atoms to form LaO12 cuboctahedra that share corners with twelve equivalent LaO12 cuboctahedra, faces with six equivalent LaO12 cuboctahedra, faces with two equivalent TeO6 octahedra, and faces with six equivalent CuO6 octahedra. All La–O bond lengths are 2.81 Å. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with two equivalent TeO6 octahedra, corners with four equivalent CuO6 octahedra, and faces with eight equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (1.99 Å) and two longer (2.05 Å) Cu–O bond lengths. Te6+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share corners with six equivalent CuO6 octahedra and faces with eight equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Te–O bond lengths are 1.92 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent La3+ and two equivalent Cu2+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent La3+, one Cu2+, and one Te6+ atom.

36 MATERIALS SCIENCE↗

Materials Data on La2CuTe2O by Materials Project

La2CuTe2O crystallizes in the tetragonal P4/mmm space group. The structure is one-dimensional and consists of one La2CuTe2O ribbon oriented in the (0, 0, 1) direction. La+2.50+ is bonded in a distorted single-bond geometry to one Te2- and one O2- atom. The La–Te bond length is 3.17 Å. The La–O bond length is 2.10 Å. Cu1+ is bonded in a linear geometry to two equivalent Te2- atoms. Both Cu–Te bond lengths are 2.43 Å. Te2- is bonded in a linear geometry to one La+2.50+ and one Cu1+ atom. O2- is bonded in a linear geometry to two equivalent La+2.50+ atoms.

36 MATERIALS SCIENCE↗