Materials Data on Sm2Ge6Au by Materials Project

doi:10.17188/1679179

Title: Materials Data on Sm2Ge6Au by Materials Project

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Abstract

Sm2AuGe6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Sm–Ge bond distances ranging from 3.05–3.16 Å. In the second Sm site, Sm is bonded in a 8-coordinate geometry to four equivalent Au and ten Ge atoms. All Sm–Au bond lengths are 3.23 Å. There are a spread of Sm–Ge bond distances ranging from 3.18–3.54 Å. Au is bonded in a 9-coordinate geometry to four equivalent Sm and five Ge atoms. There are a spread of Au–Ge bond distances ranging from 2.49–2.60 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Sm, two equivalent Au, and one Ge atom. The Ge–Ge bond length is 2.51 Å. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Sm and five Ge atoms. All Ge–Ge bond lengths are 2.95 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Sm, two equivalent Au, and one Ge atom. The Ge–Gemore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1206261

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; Sm2Ge6Au; Au-Ge-Sm

OSTI Identifier:: 1679179

DOI:: https://doi.org/10.17188/1679179

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                    The Materials Project. Materials Data on Sm2Ge6Au by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1679179.

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                    The Materials Project. Materials Data on Sm2Ge6Au by Materials Project.  United States.  doi:https://doi.org/10.17188/1679179

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                    The Materials Project. 2019.  
"Materials Data on Sm2Ge6Au by Materials Project".  United States.  doi:https://doi.org/10.17188/1679179.  https://www.osti.gov/servlets/purl/1679179. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1679179,

  title        = {Materials Data on Sm2Ge6Au by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sm2AuGe6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Sm–Ge bond distances ranging from 3.05–3.16 Å. In the second Sm site, Sm is bonded in a 8-coordinate geometry to four equivalent Au and ten Ge atoms. All Sm–Au bond lengths are 3.23 Å. There are a spread of Sm–Ge bond distances ranging from 3.18–3.54 Å. Au is bonded in a 9-coordinate geometry to four equivalent Sm and five Ge atoms. There are a spread of Au–Ge bond distances ranging from 2.49–2.60 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Sm, two equivalent Au, and one Ge atom. The Ge–Ge bond length is 2.51 Å. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Sm and five Ge atoms. All Ge–Ge bond lengths are 2.95 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Sm, two equivalent Au, and one Ge atom. The Ge–Ge bond length is 2.52 Å. In the fourth Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Sm and five Ge atoms. In the fifth Ge site, Ge is bonded in a 1-coordinate geometry to six Sm, one Au, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.56 Å. In the sixth Ge site, Ge is bonded in a 8-coordinate geometry to six Sm and two equivalent Ge atoms.},

  doi          = {10.17188/1679179},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1679179

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