Materials Data on Sc5(CoSn3)6 by Materials Project

doi:10.17188/1743761

Title: Materials Data on Sc5(CoSn3)6 by Materials Project

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Abstract

Sc5Co6Sn18 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 12-coordinate geometry to six Co and twelve Sn atoms. There are two shorter (3.42 Å) and four longer (3.46 Å) Sc–Co bond lengths. There are a spread of Sc–Sn bond distances ranging from 3.27–3.32 Å. In the second Sc site, Sc is bonded in a 1-coordinate geometry to three Co and ten Sn atoms. There are a spread of Sc–Co bond distances ranging from 2.93–2.95 Å. There are a spread of Sc–Sn bond distances ranging from 3.01–3.26 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 8-coordinate geometry to three Sc and six Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.56–2.70 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to three Sc and six Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.59–2.69 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three Sc and two Co atoms. Inmore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1203372

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; Sc5(CoSn3)6; Co-Sc-Sn

OSTI Identifier:: 1743761

DOI:: https://doi.org/10.17188/1743761

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                    The Materials Project. Materials Data on Sc5(CoSn3)6 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1743761.

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                    The Materials Project. Materials Data on Sc5(CoSn3)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1743761

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                    The Materials Project. 2019.  
"Materials Data on Sc5(CoSn3)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1743761.  https://www.osti.gov/servlets/purl/1743761. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1743761,

  title        = {Materials Data on Sc5(CoSn3)6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sc5Co6Sn18 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 12-coordinate geometry to six Co and twelve Sn atoms. There are two shorter (3.42 Å) and four longer (3.46 Å) Sc–Co bond lengths. There are a spread of Sc–Sn bond distances ranging from 3.27–3.32 Å. In the second Sc site, Sc is bonded in a 1-coordinate geometry to three Co and ten Sn atoms. There are a spread of Sc–Co bond distances ranging from 2.93–2.95 Å. There are a spread of Sc–Sn bond distances ranging from 3.01–3.26 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 8-coordinate geometry to three Sc and six Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.56–2.70 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to three Sc and six Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.59–2.69 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three Sc and two Co atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to three Sc, two equivalent Co, and one Sn atom. The Sn–Sn bond length is 2.93 Å. In the third Sn site, Sn is bonded in a distorted hexagonal planar geometry to three equivalent Sc and three Co atoms. In the fourth Sn site, Sn is bonded in a 6-coordinate geometry to three Sc, two Co, and one Sn atom. The Sn–Sn bond length is 2.95 Å. In the fifth Sn site, Sn is bonded in a 2-coordinate geometry to three Sc, two equivalent Co, and one Sn atom. In the sixth Sn site, Sn is bonded in a distorted L-shaped geometry to two equivalent Sc atoms.},

  doi          = {10.17188/1743761},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1743761

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