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Title: Materials Data on YbP2(HO3)3 by Materials Project

Abstract

YbP2(HO3)3 crystallizes in the orthorhombic Pnn2 space group. The structure is three-dimensional. Yb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Yb–O bond distances ranging from 2.28–2.51 Å. There are two inequivalent P sites. In the first P site, P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.52–1.63 Å. In the second P site, P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.51–1.63 Å. There are four inequivalent H sites. In the first H site, H is bonded in a linear geometry to two equivalent O atoms. Both H–O bond lengths are 1.21 Å. In the second H site, H is bonded in a linear geometry to two equivalent O atoms. Both H–O bond lengths are 1.21 Å. In the third H site, H is bonded in a distorted single-bond geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.67 Å) H–O bond length. In the fourth H site, H is bonded in a single-bond geometry to one O atom. The H–Omore » bond length is 0.99 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Yb and one P atom. In the second O site, O is bonded in a distorted trigonal planar geometry to one P and two H atoms. In the third O site, O is bonded in a single-bond geometry to one Yb atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Yb, one P, and one H atom. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one Yb, one P, and one H atom. In the sixth O site, O is bonded in a water-like geometry to one Yb and one P atom. In the seventh O site, O is bonded in a distorted linear geometry to one Yb and one P atom. In the eighth O site, O is bonded in a bent 120 degrees geometry to one P and one H atom. In the ninth O site, O is bonded in a water-like geometry to one Yb and one P atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1202946
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; YbP2(HO3)3; H-O-P-Yb
OSTI Identifier:
1705969
DOI:
https://doi.org/10.17188/1705969

Citation Formats

The Materials Project. Materials Data on YbP2(HO3)3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1705969.
The Materials Project. Materials Data on YbP2(HO3)3 by Materials Project. United States. doi:https://doi.org/10.17188/1705969
The Materials Project. 2019. "Materials Data on YbP2(HO3)3 by Materials Project". United States. doi:https://doi.org/10.17188/1705969. https://www.osti.gov/servlets/purl/1705969. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1705969,
title = {Materials Data on YbP2(HO3)3 by Materials Project},
author = {The Materials Project},
abstractNote = {YbP2(HO3)3 crystallizes in the orthorhombic Pnn2 space group. The structure is three-dimensional. Yb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Yb–O bond distances ranging from 2.28–2.51 Å. There are two inequivalent P sites. In the first P site, P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.52–1.63 Å. In the second P site, P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.51–1.63 Å. There are four inequivalent H sites. In the first H site, H is bonded in a linear geometry to two equivalent O atoms. Both H–O bond lengths are 1.21 Å. In the second H site, H is bonded in a linear geometry to two equivalent O atoms. Both H–O bond lengths are 1.21 Å. In the third H site, H is bonded in a distorted single-bond geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.67 Å) H–O bond length. In the fourth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Yb and one P atom. In the second O site, O is bonded in a distorted trigonal planar geometry to one P and two H atoms. In the third O site, O is bonded in a single-bond geometry to one Yb atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Yb, one P, and one H atom. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one Yb, one P, and one H atom. In the sixth O site, O is bonded in a water-like geometry to one Yb and one P atom. In the seventh O site, O is bonded in a distorted linear geometry to one Yb and one P atom. In the eighth O site, O is bonded in a bent 120 degrees geometry to one P and one H atom. In the ninth O site, O is bonded in a water-like geometry to one Yb and one P atom.},
doi = {10.17188/1705969},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}