Materials Data on Nb2SiTe4 by Materials Project

Dataset · Sat Jul 18 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1203141· OSTI ID:1203141

The Materials Project

Nb2SiTe4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two Nb2SiTe4 sheets oriented in the (0, 0, 1) direction. Nb2+ is bonded to six Te2- atoms to form a mixture of distorted edge and face-sharing NbTe6 pentagonal pyramids. There are a spread of Nb–Te bond distances ranging from 2.85–2.97 Å. Si4+ is bonded in a square co-planar geometry to four Te2- atoms. All Si–Te bond lengths are 2.74 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to three equivalent Nb2+ and one Si4+ atom. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to three equivalent Nb2+ and one Si4+ atom.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1203141
• Report Number(s): mp-29072
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Nb2SiTe4
Nb-Si-Te