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Title: Materials Data on Cu4SnP10 by Materials Project

Abstract

Cu4SnP10 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a 3-coordinate geometry to three P+0.60- atoms. There are two shorter (2.35 Å) and one longer (2.59 Å) Cu–P bond lengths. In the second Cu1+ site, Cu1+ is bonded in a 4-coordinate geometry to seven P+0.60- atoms. There are a spread of Cu–P bond distances ranging from 2.45–3.01 Å. In the third Cu1+ site, Cu1+ is bonded in a distorted rectangular see-saw-like geometry to four P+0.60- atoms. There are a spread of Cu–P bond distances ranging from 2.31–2.40 Å. Sn2+ is bonded in a distorted water-like geometry to two equivalent P+0.60- atoms. Both Sn–P bond lengths are 2.81 Å. There are seven inequivalent P+0.60- sites. In the first P+0.60- site, P+0.60- is bonded in a distorted trigonal pyramidal geometry to four P+0.60- atoms. There are a spread of P–P bond distances ranging from 2.28–2.34 Å. In the second P+0.60- site, P+0.60- is bonded in a 6-coordinate geometry to two Cu1+ and four P+0.60- atoms. There are a spread of P–P bond distances ranging from 2.28–2.48 Å. In the third P+0.60- site, P+0.60- ismore » bonded in a 1-coordinate geometry to one Cu1+, one Sn2+, and two P+0.60- atoms. There are one shorter (2.20 Å) and one longer (2.56 Å) P–P bond lengths. In the fourth P+0.60- site, P+0.60- is bonded in a 6-coordinate geometry to one Cu1+ and five P+0.60- atoms. The P–P bond length is 2.70 Å. In the fifth P+0.60- site, P+0.60- is bonded in a 5-coordinate geometry to three Cu1+ and two P+0.60- atoms. The P–P bond length is 2.32 Å. In the sixth P+0.60- site, P+0.60- is bonded in a 2-coordinate geometry to three Cu1+ and three P+0.60- atoms. In the seventh P+0.60- site, P+0.60- is bonded in a 5-coordinate geometry to two Cu1+ and three P+0.60- atoms.« less

Publication Date:
Other Number(s):
mp-1181901
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Cu4SnP10; Cu-P-Sn
OSTI Identifier:
1724739
DOI:
https://doi.org/10.17188/1724739

Citation Formats

The Materials Project. Materials Data on Cu4SnP10 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1724739.
The Materials Project. Materials Data on Cu4SnP10 by Materials Project. United States. doi:https://doi.org/10.17188/1724739
The Materials Project. 2019. "Materials Data on Cu4SnP10 by Materials Project". United States. doi:https://doi.org/10.17188/1724739. https://www.osti.gov/servlets/purl/1724739. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1724739,
title = {Materials Data on Cu4SnP10 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu4SnP10 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a 3-coordinate geometry to three P+0.60- atoms. There are two shorter (2.35 Å) and one longer (2.59 Å) Cu–P bond lengths. In the second Cu1+ site, Cu1+ is bonded in a 4-coordinate geometry to seven P+0.60- atoms. There are a spread of Cu–P bond distances ranging from 2.45–3.01 Å. In the third Cu1+ site, Cu1+ is bonded in a distorted rectangular see-saw-like geometry to four P+0.60- atoms. There are a spread of Cu–P bond distances ranging from 2.31–2.40 Å. Sn2+ is bonded in a distorted water-like geometry to two equivalent P+0.60- atoms. Both Sn–P bond lengths are 2.81 Å. There are seven inequivalent P+0.60- sites. In the first P+0.60- site, P+0.60- is bonded in a distorted trigonal pyramidal geometry to four P+0.60- atoms. There are a spread of P–P bond distances ranging from 2.28–2.34 Å. In the second P+0.60- site, P+0.60- is bonded in a 6-coordinate geometry to two Cu1+ and four P+0.60- atoms. There are a spread of P–P bond distances ranging from 2.28–2.48 Å. In the third P+0.60- site, P+0.60- is bonded in a 1-coordinate geometry to one Cu1+, one Sn2+, and two P+0.60- atoms. There are one shorter (2.20 Å) and one longer (2.56 Å) P–P bond lengths. In the fourth P+0.60- site, P+0.60- is bonded in a 6-coordinate geometry to one Cu1+ and five P+0.60- atoms. The P–P bond length is 2.70 Å. In the fifth P+0.60- site, P+0.60- is bonded in a 5-coordinate geometry to three Cu1+ and two P+0.60- atoms. The P–P bond length is 2.32 Å. In the sixth P+0.60- site, P+0.60- is bonded in a 2-coordinate geometry to three Cu1+ and three P+0.60- atoms. In the seventh P+0.60- site, P+0.60- is bonded in a 5-coordinate geometry to two Cu1+ and three P+0.60- atoms.},
doi = {10.17188/1724739},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}