skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on MoCl3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1199018· OSTI ID:1199018

MoCl3 is Aluminum trichloride structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one MoCl3 sheet oriented in the (0, 0, 1) direction. Mo3+ is bonded to six Cl1- atoms to form edge-sharing MoCl6 octahedra. There are a spread of Mo–Cl bond distances ranging from 2.40–2.50 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two equivalent Mo3+ atoms. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Mo3+ atoms.

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:
1199018
Report Number(s):
mp-22853
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

Similar Records

Materials Data on MoCl3 by Materials Project
Dataset · Sat May 02 00:00:00 EDT 2020 · OSTI ID:1199018

Materials Data on MoCl3 by Materials Project
Dataset · Thu Apr 30 00:00:00 EDT 2020 · OSTI ID:1199018

Materials Data on MoCl3 by Materials Project
Dataset · Wed Apr 29 00:00:00 EDT 2020 · OSTI ID:1199018