Materials Data on Li4Si2NiO7 by Materials Project
Abstract
Li4NiSi2O7 is Stannite-like structured and crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share a cornercorner with one NiO4 tetrahedra, corners with five SiO4 tetrahedra, and corners with six LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.93–2.16 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent NiO4 tetrahedra, corners with four SiO4 tetrahedra, and corners with six LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.94–2.02 Å. In the third Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with three equivalent NiO4 tetrahedra, corners with four SiO4 tetrahedra, and corners with five LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.99–2.10 Å. In the fourth Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent NiO4 tetrahedra, corners with five LiO4 tetrahedra, and corners with five SiO4 tetrahedra. There aremore »
- Authors:
- Publication Date:
- 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)
- Contributing Org.:
- MIT; UC Berkeley; Duke; U Louvain
- OSTI Identifier:
- 1297798
- Report Number(s):
- mp-767687
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Resource Type:
- Data
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; Li4Si2NiO7; Li-Ni-O-Si
Citation Formats
The Materials Project. Materials Data on Li4Si2NiO7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1297798.
The Materials Project. Materials Data on Li4Si2NiO7 by Materials Project. United States. https://doi.org/10.17188/1297798
The Materials Project. 2020.
"Materials Data on Li4Si2NiO7 by Materials Project". United States. https://doi.org/10.17188/1297798. https://www.osti.gov/servlets/purl/1297798.
@article{osti_1297798,
title = {Materials Data on Li4Si2NiO7 by Materials Project},
author = {The Materials Project},
abstractNote = {Li4NiSi2O7 is Stannite-like structured and crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share a cornercorner with one NiO4 tetrahedra, corners with five SiO4 tetrahedra, and corners with six LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.93–2.16 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent NiO4 tetrahedra, corners with four SiO4 tetrahedra, and corners with six LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.94–2.02 Å. In the third Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with three equivalent NiO4 tetrahedra, corners with four SiO4 tetrahedra, and corners with five LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.99–2.10 Å. In the fourth Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent NiO4 tetrahedra, corners with five LiO4 tetrahedra, and corners with five SiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.93–2.16 Å. Ni2+ is bonded to four O2- atoms to form NiO4 tetrahedra that share corners with four SiO4 tetrahedra and corners with eight LiO4 tetrahedra. There are a spread of Ni–O bond distances ranging from 1.96–2.00 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one NiO4 tetrahedra, a cornercorner with one SiO4 tetrahedra, and corners with ten LiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.73 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra, corners with three equivalent NiO4 tetrahedra, and corners with eight LiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.64–1.70 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded to three Li1+ and one Si4+ atom to form distorted corner-sharing OLi3Si tetrahedra. In the second O2- site, O2- is bonded to two Li1+, one Ni2+, and one Si4+ atom to form distorted corner-sharing OLi2SiNi tetrahedra. In the third O2- site, O2- is bonded to two Li1+, one Ni2+, and one Si4+ atom to form distorted corner-sharing OLi2SiNi tetrahedra. In the fourth O2- site, O2- is bonded to two Li1+, one Ni2+, and one Si4+ atom to form corner-sharing OLi2SiNi tetrahedra. In the fifth O2- site, O2- is bonded to two Li1+, one Ni2+, and one Si4+ atom to form corner-sharing OLi2SiNi tetrahedra. In the sixth O2- site, O2- is bonded to two Li1+ and two Si4+ atoms to form corner-sharing OLi2Si2 tetrahedra. In the seventh O2- site, O2- is bonded to three Li1+ and one Si4+ atom to form corner-sharing OLi3Si tetrahedra.},
doi = {10.17188/1297798},
url = {https://www.osti.gov/biblio/1297798},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jun 05 00:00:00 EDT 2020},
month = {Fri Jun 05 00:00:00 EDT 2020}
}