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

Title: Materials Data on AlHO2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1278383· OSTI ID:1278383

AlOOH crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two AlOOH sheets oriented in the (0, 0, 1) direction. Al3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 22°. There are a spread of Al–O bond distances ranging from 1.89–1.96 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Al3+ atoms to form a mixture of edge and corner-sharing OAl4 trigonal pyramids. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Al3+ and one H1+ 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:
1278383
Report Number(s):
mp-625420
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

Similar Records

Materials Data on AlHO2 by Materials Project
Dataset · Sat Jul 18 00:00:00 EDT 2020 · OSTI ID:1278383

Materials Data on AlHO2 by Materials Project
Dataset · Mon Jul 20 00:00:00 EDT 2020 · OSTI ID:1278383

Materials Data on AlHO2 by Materials Project
Dataset · Sat Jul 18 00:00:00 EDT 2020 · OSTI ID:1278383