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Title: Materials Data on Ac2O3 by Materials Project

Abstract

Ac2O3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ac3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ac–O bond distances ranging from 2.47–2.84 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Ac3+ atoms to form OAc4 tetrahedra that share corners with six equivalent OAc6 octahedra, corners with six equivalent OAc4 tetrahedra, edges with three equivalent OAc6 octahedra, and edges with three equivalent OAc4 tetrahedra. The corner-sharing octahedra tilt angles range from 17–56°. In the second O2- site, O2- is bonded to six equivalent Ac3+ atoms to form OAc6 octahedra that share corners with twelve equivalent OAc4 tetrahedra, edges with six equivalent OAc6 octahedra, and edges with six equivalent OAc4 tetrahedra.

Publication Date:
Other Number(s):
mp-11107
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ac2O3; Ac-O
OSTI Identifier:
1187570
DOI:
https://doi.org/10.17188/1187570

Citation Formats

The Materials Project. Materials Data on Ac2O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187570.
The Materials Project. Materials Data on Ac2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1187570
The Materials Project. 2020. "Materials Data on Ac2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1187570. https://www.osti.gov/servlets/purl/1187570. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1187570,
title = {Materials Data on Ac2O3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ac2O3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ac3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ac–O bond distances ranging from 2.47–2.84 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Ac3+ atoms to form OAc4 tetrahedra that share corners with six equivalent OAc6 octahedra, corners with six equivalent OAc4 tetrahedra, edges with three equivalent OAc6 octahedra, and edges with three equivalent OAc4 tetrahedra. The corner-sharing octahedra tilt angles range from 17–56°. In the second O2- site, O2- is bonded to six equivalent Ac3+ atoms to form OAc6 octahedra that share corners with twelve equivalent OAc4 tetrahedra, edges with six equivalent OAc6 octahedra, and edges with six equivalent OAc4 tetrahedra.},
doi = {10.17188/1187570},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}