Materials Data on NdCuTeO by Materials Project

Dataset · Wed Jul 15 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1314448· OSTI ID:1314448

NdCuOTe is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Nd3+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four equivalent O2- atoms. All Nd–Te bond lengths are 3.46 Å. All Nd–O bond lengths are 2.37 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 ONd4Te4 tetrahedra, edges with two equivalent ONd4Te4 tetrahedra, and edges with four equivalent CuTe4 tetrahedra. All Cu–Te bond lengths are 2.67 Å. Te2- is bonded in a 12-coordinate geometry to four equivalent Nd3+, four equivalent Cu1+, and four equivalent O2- atoms. All Te–O bond lengths are 3.65 Å. O2- is bonded to four equivalent Nd3+ and four equivalent Te2- atoms to form distorted ONd4Te4 tetrahedra that share corners with twelve equivalent CuTe4 tetrahedra, edges with two equivalent CuTe4 tetrahedra, edges with four equivalent ONd4Te4 tetrahedra, and faces with four equivalent ONd4Te4 tetrahedra.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1314448
• Report Number(s): mp-974307
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Cu-Nd-O-Te
NdCuTeO
crystal structure