Materials Data on EuPH5CO7 by Materials Project
Abstract
EuCPH3O6H2O crystallizes in the triclinic P-1 space group. The structure is three-dimensional and consists of two water molecules and one EuCPH3O6 framework. In the EuCPH3O6 framework, Eu2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.38–2.57 Å. C2+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.26 Å. P5+ is bonded in a distorted tetrahedral geometry to one H1+ and three O2- atoms. The P–H bond length is 1.41 Å. There are a spread of P–O bond distances ranging from 1.53–1.55 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one P5+ atom. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Eu2+ and one P5+ atom. In the second O2-more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-555522
- 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; EuPH5CO7; C-Eu-H-O-P
- OSTI Identifier:
- 1268855
- DOI:
- https://doi.org/10.17188/1268855
Citation Formats
The Materials Project. Materials Data on EuPH5CO7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1268855.
The Materials Project. Materials Data on EuPH5CO7 by Materials Project. United States. doi:https://doi.org/10.17188/1268855
The Materials Project. 2020.
"Materials Data on EuPH5CO7 by Materials Project". United States. doi:https://doi.org/10.17188/1268855. https://www.osti.gov/servlets/purl/1268855. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1268855,
title = {Materials Data on EuPH5CO7 by Materials Project},
author = {The Materials Project},
abstractNote = {EuCPH3O6H2O crystallizes in the triclinic P-1 space group. The structure is three-dimensional and consists of two water molecules and one EuCPH3O6 framework. In the EuCPH3O6 framework, Eu2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.38–2.57 Å. C2+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.26 Å. P5+ is bonded in a distorted tetrahedral geometry to one H1+ and three O2- atoms. The P–H bond length is 1.41 Å. There are a spread of P–O bond distances ranging from 1.53–1.55 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one P5+ atom. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Eu2+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Eu2+ and one C2+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Eu2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Eu2+ and one C2+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Eu2+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted water-like geometry to one Eu2+ and two H1+ atoms.},
doi = {10.17188/1268855},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Jul 20 00:00:00 EDT 2020},
month = {Mon Jul 20 00:00:00 EDT 2020}
}