Materials Data on Y2SiCO7 by Materials Project
Abstract
Y2SiCO7 is Zircon-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.27–2.46 Å. In the second Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.31–2.50 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.63–1.68 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.29 Å) and one longer (1.31 Å) C–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Y3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two Y3+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two Y3+ and one C4+ atom. In the fourth O2- site, O2- ismore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-556661
- 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; Y2SiCO7; C-O-Si-Y
- OSTI Identifier:
- 1269470
- DOI:
- https://doi.org/10.17188/1269470
Citation Formats
The Materials Project. Materials Data on Y2SiCO7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1269470.
The Materials Project. Materials Data on Y2SiCO7 by Materials Project. United States. doi:https://doi.org/10.17188/1269470
The Materials Project. 2020.
"Materials Data on Y2SiCO7 by Materials Project". United States. doi:https://doi.org/10.17188/1269470. https://www.osti.gov/servlets/purl/1269470. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1269470,
title = {Materials Data on Y2SiCO7 by Materials Project},
author = {The Materials Project},
abstractNote = {Y2SiCO7 is Zircon-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.27–2.46 Å. In the second Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.31–2.50 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.63–1.68 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.29 Å) and one longer (1.31 Å) C–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Y3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two Y3+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two Y3+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two Y3+ and one C4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two Y3+ and one Si4+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to three Y3+ and one Si4+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Y3+ and one Si4+ atom.},
doi = {10.17188/1269470},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 17 00:00:00 EDT 2020},
month = {Fri Jul 17 00:00:00 EDT 2020}
}