U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiCo3Sb(PO4)6 by Materials Project
Abstract
LiCo3Sb(PO4)6 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 2.29–2.75 Å. There are three inequivalent Co4+ sites. In the first Co4+ site, Co4+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are a spread of Co–O bond distances ranging from 1.65–1.95 Å. In the second Co4+ site, Co4+ is bonded in a bent 150 degrees geometry to four O2- atoms. There are a spread of Co–O bond distances ranging from 1.04–2.59 Å. In the third Co4+ site, Co4+ is bonded in a bent 150 degrees geometry to two O2- atoms. There is one shorter (1.10 Å) and one longer (1.27 Å) Co–O bond length. Sb5+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.75–2.05 Å. There are six inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a distorted water-like geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.55–2.50 Å. In the second P5+ site, P5+ is bondedmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-764378
- 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; LiCo3Sb(PO4)6; Co-Li-O-P-Sb
- OSTI Identifier:
- 1294821
- DOI:
- https://doi.org/10.17188/1294821
Citation Formats
The Materials Project. Materials Data on LiCo3Sb(PO4)6 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1294821.
The Materials Project. Materials Data on LiCo3Sb(PO4)6 by Materials Project. United States. doi:https://doi.org/10.17188/1294821
The Materials Project. 2019.
"Materials Data on LiCo3Sb(PO4)6 by Materials Project". United States. doi:https://doi.org/10.17188/1294821. https://www.osti.gov/servlets/purl/1294821. Pub date:Tue Nov 05 00:00:00 EST 2019
@article{osti_1294821,
title = {Materials Data on LiCo3Sb(PO4)6 by Materials Project},
author = {The Materials Project},
abstractNote = {LiCo3Sb(PO4)6 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 2.29–2.75 Å. There are three inequivalent Co4+ sites. In the first Co4+ site, Co4+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are a spread of Co–O bond distances ranging from 1.65–1.95 Å. In the second Co4+ site, Co4+ is bonded in a bent 150 degrees geometry to four O2- atoms. There are a spread of Co–O bond distances ranging from 1.04–2.59 Å. In the third Co4+ site, Co4+ is bonded in a bent 150 degrees geometry to two O2- atoms. There is one shorter (1.10 Å) and one longer (1.27 Å) Co–O bond length. Sb5+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.75–2.05 Å. There are six inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a distorted water-like geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.55–2.50 Å. In the second P5+ site, P5+ is bonded in a 3-coordinate geometry to three O2- atoms. There is one shorter (1.40 Å) and two longer (1.53 Å) P–O bond length. In the third P5+ site, P5+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.46–2.47 Å. In the fourth P5+ site, P5+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.52–2.35 Å. In the fifth P5+ site, P5+ is bonded in a 3-coordinate geometry to six O2- atoms. There are a spread of P–O bond distances ranging from 1.48–2.49 Å. In the sixth P5+ site, P5+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.57–2.53 Å. There are twenty-four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one O2- atom. The O–O bond length is 2.80 Å. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Co4+, three P5+, and one O2- atom. The O–O bond length is 1.94 Å. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Co4+, two P5+, and one O2- atom. The O–O bond length is 2.21 Å. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Co4+, one P5+, and one O2- atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Sb5+ and one O2- atom. The O–O bond length is 2.96 Å. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Co4+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted L-shaped geometry to one Co4+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a water-like geometry to one Co4+ and one P5+ atom. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to one Co4+ and one O2- atom. The O–O bond length is 2.71 Å. In the tenth O2- site, O2- is bonded in a distorted water-like geometry to one Li1+ and one P5+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry to one Li1+ and one P5+ atom. In the thirteenth O2- site, O2- is bonded in a 1-coordinate geometry to one P5+ and seven O2- atoms. There are a spread of O–O bond distances ranging from 2.35–2.97 Å. In the fourteenth O2- site, O2- is bonded in a single-bond geometry to one Li1+, one P5+, and one O2- atom. In the fifteenth O2- site, O2- is bonded in a distorted single-bond geometry to one P5+ and one O2- atom. The O–O bond length is 1.62 Å. In the sixteenth O2- site, O2- is bonded in a 2-coordinate geometry to one Sb5+, two P5+, and two O2- atoms. In the seventeenth O2- site, O2- is bonded in a distorted water-like geometry to one Li1+ and one P5+ atom. In the eighteenth O2- site, O2- is bonded in a distorted water-like geometry to one Sb5+ and one P5+ atom. In the nineteenth O2- site, O2- is bonded in a distorted L-shaped geometry to one Co4+ and one P5+ atom. In the twentieth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Co4+ and one P5+ atom. In the twenty-first O2- site, O2- is bonded in a distorted single-bond geometry to one Co4+ atom. In the twenty-second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sb5+ and one P5+ atom. In the twenty-third O2- site, O2- is bonded in a distorted single-bond geometry to one P5+ and one O2- atom. In the twenty-fourth O2- site, O2- is bonded in a 1-coordinate geometry to one P5+ and two O2- atoms.},
doi = {10.17188/1294821},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {11}
}
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