U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on La2P4O13 by Materials Project
Abstract
La2P4O13 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. La3+ is bonded to seven O2- atoms to form distorted LaO7 pentagonal bipyramids that share corners with five PO4 tetrahedra, edges with two equivalent LaO7 pentagonal bipyramids, and an edgeedge with one PO4 tetrahedra. There are a spread of La–O bond distances ranging from 2.35–2.67 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent LaO7 pentagonal bipyramids and corners with two PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.60 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent LaO7 pentagonal bipyramids, a cornercorner with one PO4 tetrahedra, and an edgeedge with one LaO7 pentagonal bipyramid. There are a spread of P–O bond distances ranging from 1.51–1.63 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent La3+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to onemore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-771240
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; La2P4O13; La-O-P
- OSTI Identifier:
- 1300392
- DOI:
- https://doi.org/10.17188/1300392
Citation Formats
The Materials Project. Materials Data on La2P4O13 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1300392.
The Materials Project. Materials Data on La2P4O13 by Materials Project. United States. doi:https://doi.org/10.17188/1300392
The Materials Project. 2020.
"Materials Data on La2P4O13 by Materials Project". United States. doi:https://doi.org/10.17188/1300392. https://www.osti.gov/servlets/purl/1300392. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1300392,
title = {Materials Data on La2P4O13 by Materials Project},
author = {The Materials Project},
abstractNote = {La2P4O13 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. La3+ is bonded to seven O2- atoms to form distorted LaO7 pentagonal bipyramids that share corners with five PO4 tetrahedra, edges with two equivalent LaO7 pentagonal bipyramids, and an edgeedge with one PO4 tetrahedra. There are a spread of La–O bond distances ranging from 2.35–2.67 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent LaO7 pentagonal bipyramids and corners with two PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.60 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent LaO7 pentagonal bipyramids, a cornercorner with one PO4 tetrahedra, and an edgeedge with one LaO7 pentagonal bipyramid. There are a spread of P–O bond distances ranging from 1.51–1.63 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent La3+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one La3+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one La3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent P5+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two P5+ atoms. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one La3+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent La3+ and one P5+ atom.},
doi = {10.17188/1300392},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}