Materials Data on SmGePt by Materials Project

doi:10.17188/1262550

Title: Materials Data on SmGePt by Materials Project

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Abstract

SmPtGe crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 12-coordinate geometry to six Pt and six Ge atoms. There are a spread of Sm–Pt bond distances ranging from 2.99–3.21 Å. There are a spread of Sm–Ge bond distances ranging from 3.09–3.27 Å. In the second Sm site, Sm is bonded in a 12-coordinate geometry to six Pt and six Ge atoms. There are two shorter (3.12 Å) and four longer (3.17 Å) Sm–Pt bond lengths. All Sm–Ge bond lengths are 3.23 Å. In the third Sm site, Sm is bonded in a 12-coordinate geometry to six Pt and six Ge atoms. There are four shorter (3.26 Å) and two longer (3.27 Å) Sm–Pt bond lengths. There are four shorter (3.06 Å) and two longer (3.12 Å) Sm–Ge bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 10-coordinate geometry to six Sm, one Pt, and three Ge atoms. The Pt–Pt bond length is 3.14 Å. There are two shorter (2.58 Å) and one longer (2.60 Å) Pt–Ge bond lengths. In the second Ptmore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-20

Other Number(s):: mp-505483

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; SmGePt; Ge-Pt-Sm

OSTI Identifier:: 1262550

DOI:: https://doi.org/10.17188/1262550

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                    The Materials Project. Materials Data on SmGePt by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262550.

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                    The Materials Project. Materials Data on SmGePt by Materials Project.  United States.  doi:https://doi.org/10.17188/1262550

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                    The Materials Project. 2020.  
"Materials Data on SmGePt by Materials Project".  United States.  doi:https://doi.org/10.17188/1262550.  https://www.osti.gov/servlets/purl/1262550. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1262550,

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

  author       = {The Materials Project},

  abstractNote = {SmPtGe crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 12-coordinate geometry to six Pt and six Ge atoms. There are a spread of Sm–Pt bond distances ranging from 2.99–3.21 Å. There are a spread of Sm–Ge bond distances ranging from 3.09–3.27 Å. In the second Sm site, Sm is bonded in a 12-coordinate geometry to six Pt and six Ge atoms. There are two shorter (3.12 Å) and four longer (3.17 Å) Sm–Pt bond lengths. All Sm–Ge bond lengths are 3.23 Å. In the third Sm site, Sm is bonded in a 12-coordinate geometry to six Pt and six Ge atoms. There are four shorter (3.26 Å) and two longer (3.27 Å) Sm–Pt bond lengths. There are four shorter (3.06 Å) and two longer (3.12 Å) Sm–Ge bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 10-coordinate geometry to six Sm, one Pt, and three Ge atoms. The Pt–Pt bond length is 3.14 Å. There are two shorter (2.58 Å) and one longer (2.60 Å) Pt–Ge bond lengths. In the second Pt site, Pt is bonded in a 10-coordinate geometry to six Sm and four Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.59–2.88 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Sm and four Pt atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Sm, three Pt, and one Ge atom. The Ge–Ge bond length is 2.75 Å.},

  doi          = {10.17188/1262550},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1262550

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