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Title: Materials Data on La2P2AuO by Materials Project

Abstract

La2AuP2O crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 3-coordinate geometry to four P3- and three equivalent O2- atoms. There are a spread of La–P bond distances ranging from 3.06–3.33 Å. There are two shorter (2.42 Å) and one longer (2.44 Å) La–O bond lengths. In the second La3+ site, La3+ is bonded in a distorted single-bond geometry to seven P3- and one O2- atom. There are a spread of La–P bond distances ranging from 3.04–3.38 Å. The La–O bond length is 2.42 Å. Au2+ is bonded in a trigonal planar geometry to three P3- atoms. There are two shorter (2.44 Å) and one longer (2.51 Å) Au–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 1-coordinate geometry to six La3+, one Au2+, and one P3- atom. The P–P bond length is 2.22 Å. In the second P3- site, P3- is bonded in a 7-coordinate geometry to five La3+ and two equivalent Au2+ atoms. O2- is bonded to four La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra.

Publication Date:
Other Number(s):
mp-1095626
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; La2P2AuO; Au-La-O-P
OSTI Identifier:
1741976
DOI:
https://doi.org/10.17188/1741976

Citation Formats

The Materials Project. Materials Data on La2P2AuO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1741976.
The Materials Project. Materials Data on La2P2AuO by Materials Project. United States. doi:https://doi.org/10.17188/1741976
The Materials Project. 2020. "Materials Data on La2P2AuO by Materials Project". United States. doi:https://doi.org/10.17188/1741976. https://www.osti.gov/servlets/purl/1741976. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1741976,
title = {Materials Data on La2P2AuO by Materials Project},
author = {The Materials Project},
abstractNote = {La2AuP2O crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 3-coordinate geometry to four P3- and three equivalent O2- atoms. There are a spread of La–P bond distances ranging from 3.06–3.33 Å. There are two shorter (2.42 Å) and one longer (2.44 Å) La–O bond lengths. In the second La3+ site, La3+ is bonded in a distorted single-bond geometry to seven P3- and one O2- atom. There are a spread of La–P bond distances ranging from 3.04–3.38 Å. The La–O bond length is 2.42 Å. Au2+ is bonded in a trigonal planar geometry to three P3- atoms. There are two shorter (2.44 Å) and one longer (2.51 Å) Au–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 1-coordinate geometry to six La3+, one Au2+, and one P3- atom. The P–P bond length is 2.22 Å. In the second P3- site, P3- is bonded in a 7-coordinate geometry to five La3+ and two equivalent Au2+ atoms. O2- is bonded to four La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra.},
doi = {10.17188/1741976},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}