Materials Data on Cu4SnP10 by Materials Project

doi:10.17188/1724739

Title: Materials Data on Cu4SnP10 by Materials Project

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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 »« less

Authors:: The Materials Project

Publication Date:: 2019-01-11

Other Number(s):: mp-1181901

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; Cu4SnP10; Cu-P-Sn

OSTI Identifier:: 1724739

DOI:: https://doi.org/10.17188/1724739

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                    The Materials Project. Materials Data on Cu4SnP10 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1724739.

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                    The Materials Project. Materials Data on Cu4SnP10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1724739

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                    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

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@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}

}

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DOI: https://doi.org/10.17188/1724739

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