Materials Data on NaYF4 by Materials Project
Abstract
NaYF4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Na–F bond distances ranging from 2.28–2.47 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Na–F bond distances ranging from 2.28–2.38 Å. In the third Na1+ site, Na1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Na–F bond distances ranging from 2.38–2.58 Å. There are three inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Y–F bond distances ranging from 2.31–2.42 Å. In the second Y3+ site, Y3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Y–F bond distances ranging from 2.31–2.40 Å. In the third Y3+ site, Y3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Y–F bond distances ranging from 2.32–2.41 Å. There are twelve inequivalent F1- sites. In themore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1220768
- 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; NaYF4; F-Na-Y
- OSTI Identifier:
- 1737338
- DOI:
- https://doi.org/10.17188/1737338
Citation Formats
The Materials Project. Materials Data on NaYF4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1737338.
The Materials Project. Materials Data on NaYF4 by Materials Project. United States. doi:https://doi.org/10.17188/1737338
The Materials Project. 2020.
"Materials Data on NaYF4 by Materials Project". United States. doi:https://doi.org/10.17188/1737338. https://www.osti.gov/servlets/purl/1737338. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1737338,
title = {Materials Data on NaYF4 by Materials Project},
author = {The Materials Project},
abstractNote = {NaYF4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Na–F bond distances ranging from 2.28–2.47 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Na–F bond distances ranging from 2.28–2.38 Å. In the third Na1+ site, Na1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Na–F bond distances ranging from 2.38–2.58 Å. There are three inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Y–F bond distances ranging from 2.31–2.42 Å. In the second Y3+ site, Y3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Y–F bond distances ranging from 2.31–2.40 Å. In the third Y3+ site, Y3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Y–F bond distances ranging from 2.32–2.41 Å. There are twelve inequivalent F1- sites. In the first F1- site, F1- is bonded to two Na1+ and two Y3+ atoms to form a mixture of distorted edge and corner-sharing FNa2Y2 tetrahedra. In the second F1- site, F1- is bonded to two Na1+ and two Y3+ atoms to form a mixture of distorted edge and corner-sharing FNa2Y2 tetrahedra. In the third F1- site, F1- is bonded to two Na1+ and two Y3+ atoms to form a mixture of distorted edge and corner-sharing FNa2Y2 tetrahedra. In the fourth F1- site, F1- is bonded to two Na1+ and two Y3+ atoms to form a mixture of distorted edge and corner-sharing FNa2Y2 tetrahedra. In the fifth F1- site, F1- is bonded to two Na1+ and two Y3+ atoms to form a mixture of distorted edge and corner-sharing FNa2Y2 tetrahedra. In the sixth F1- site, F1- is bonded to two Na1+ and two Y3+ atoms to form a mixture of distorted edge and corner-sharing FNa2Y2 tetrahedra. In the seventh F1- site, F1- is bonded to one Na1+ and three Y3+ atoms to form a mixture of distorted edge and corner-sharing FNaY3 tetrahedra. In the eighth F1- site, F1- is bonded to two Na1+ and two Y3+ atoms to form a mixture of distorted edge and corner-sharing FNa2Y2 tetrahedra. In the ninth F1- site, F1- is bonded to two Na1+ and two Y3+ atoms to form a mixture of distorted edge and corner-sharing FNa2Y2 tetrahedra. In the tenth F1- site, F1- is bonded to one Na1+ and three Y3+ atoms to form a mixture of distorted edge and corner-sharing FNaY3 tetrahedra. In the eleventh F1- site, F1- is bonded to two Na1+ and two Y3+ atoms to form a mixture of distorted edge and corner-sharing FNa2Y2 tetrahedra. In the twelfth F1- site, F1- is bonded to one Na1+ and three Y3+ atoms to form a mixture of distorted edge and corner-sharing FNaY3 tetrahedra.},
doi = {10.17188/1737338},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}
Works referenced in this record:
A Strategy for Simultaneously Realizing the Cubic-to-Hexagonal Phase Transition and Controlling the Small Size of NaYF4:Yb3+,Er3+ Nanocrystals for In Vitro Cell Imaging
journal, March 2012
- Wang, Zhen-Ling; Hao, Jianhua; Chan, Helen L. W.
- Small, Vol. 8, Issue 12
Synthesis of Upconverting Hydrogel Nanocomposites Using Thiol-Ene Click Chemistry: Template for the Formation of Dendrimer-Like Gold Nanoparticle Assemblies
journal, October 2015
- Meesaragandla, Brahmaiah; Mahalingam, Venkataramanan
- Chemistry - A European Journal, Vol. 21, Issue 47