skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on LaP2H2O9 by Materials Project

Abstract

LaP2H2O7O2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four hydrogen peroxide molecules and one LaP2H2O7 sheet oriented in the (1, 0, 0) direction. In the LaP2H2O7 sheet, La is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of La–O bond distances ranging from 2.38–2.66 Å. There are two inequivalent P sites. In the first P site, P is bonded in a distorted tetrahedral geometry to one H and three O atoms. The P–H bond length is 1.41 Å. There are a spread of P–O bond distances ranging from 1.52–1.56 Å. In the second P site, P is bonded in a distorted tetrahedral geometry to one H and three O atoms. The P–H bond length is 1.41 Å. There is two shorter (1.51 Å) and one longer (1.72 Å) P–O bond length. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one P atom. In the second H site, H is bonded in a single-bond geometry to one P atom. There are seven inequivalent O sites. In the first O site, O is bonded in a distorted bent 120more » degrees geometry to one La and one P atom. In the second O site, O is bonded in a distorted water-like geometry to one P and one O atom. The O–O bond length is 1.35 Å. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one La and one P atom. In the fourth O site, O is bonded in a single-bond geometry to one O atom. In the fifth O site, O is bonded in a 1-coordinate geometry to two equivalent La and one P atom. In the sixth O site, O is bonded in a distorted single-bond geometry to two equivalent La and one P atom. In the seventh O site, O is bonded in a bent 150 degrees geometry to one La and one P atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-696087
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; LaP2H2O9; H-La-O-P
OSTI Identifier:
1284947
DOI:
10.17188/1284947

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on LaP2H2O9 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1284947.
Persson, Kristin, & Project, Materials. Materials Data on LaP2H2O9 by Materials Project. United States. doi:10.17188/1284947.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on LaP2H2O9 by Materials Project". United States. doi:10.17188/1284947. https://www.osti.gov/servlets/purl/1284947. Pub date:Fri Jul 21 00:00:00 EDT 2017
@article{osti_1284947,
title = {Materials Data on LaP2H2O9 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {LaP2H2O7O2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four hydrogen peroxide molecules and one LaP2H2O7 sheet oriented in the (1, 0, 0) direction. In the LaP2H2O7 sheet, La is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of La–O bond distances ranging from 2.38–2.66 Å. There are two inequivalent P sites. In the first P site, P is bonded in a distorted tetrahedral geometry to one H and three O atoms. The P–H bond length is 1.41 Å. There are a spread of P–O bond distances ranging from 1.52–1.56 Å. In the second P site, P is bonded in a distorted tetrahedral geometry to one H and three O atoms. The P–H bond length is 1.41 Å. There is two shorter (1.51 Å) and one longer (1.72 Å) P–O bond length. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one P atom. In the second H site, H is bonded in a single-bond geometry to one P atom. There are seven inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one La and one P atom. In the second O site, O is bonded in a distorted water-like geometry to one P and one O atom. The O–O bond length is 1.35 Å. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one La and one P atom. In the fourth O site, O is bonded in a single-bond geometry to one O atom. In the fifth O site, O is bonded in a 1-coordinate geometry to two equivalent La and one P atom. In the sixth O site, O is bonded in a distorted single-bond geometry to two equivalent La and one P atom. In the seventh O site, O is bonded in a bent 150 degrees geometry to one La and one P atom.},
doi = {10.17188/1284947},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}

Dataset:

Save / Share: