Materials Data on Re3Os by Materials Project

doi:10.17188/1311932

Title: Materials Data on Re3Os by Materials Project

Full Record
Other Related Research

Abstract

Re3Os is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Re sites. In the first Re site, Re is bonded to eight Re and four equivalent Os atoms to form distorted ReRe8Os4 cuboctahedra that share corners with four equivalent OsRe12 cuboctahedra, corners with fourteen equivalent ReRe8Os4 cuboctahedra, edges with six equivalent OsRe12 cuboctahedra, edges with twelve ReRe8Os4 cuboctahedra, faces with four equivalent OsRe12 cuboctahedra, and faces with sixteen ReRe8Os4 cuboctahedra. There are a spread of Re–Re bond distances ranging from 2.73–2.80 Å. There are two shorter (2.75 Å) and two longer (2.78 Å) Re–Os bond lengths. In the second Re site, Re is bonded to eight equivalent Re and four equivalent Os atoms to form distorted ReRe8Os4 cuboctahedra that share corners with four equivalent OsRe12 cuboctahedra, corners with fourteen ReRe8Os4 cuboctahedra, edges with six equivalent OsRe12 cuboctahedra, edges with twelve equivalent ReRe8Os4 cuboctahedra, faces with four equivalent OsRe12 cuboctahedra, and faces with sixteen ReRe8Os4 cuboctahedra. There are two shorter (2.75 Å) and two longer (2.78 Å) Re–Os bond lengths. Os is bonded to twelve Re atoms to form OsRe12 cuboctahedra that share corners with six equivalent OsRe12 cuboctahedra, cornersmore »« less

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

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)

Contributing Org.:: MIT; UC Berkeley; Duke; U Louvain

OSTI Identifier:: 1311932

Report Number(s):: mp-867264

DOE Contract Number:: AC02-05CH11231; EDCBEE

Resource Type:: Data

Resource Relation:: Related Information: https://materialsproject.org/citing

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; crystal structure; Re3Os; Os-Re

Citation Formats


                    The Materials Project. Materials Data on Re3Os by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1311932.

Copy to clipboard


                    The Materials Project. Materials Data on Re3Os by Materials Project.  United States.  https://doi.org/10.17188/1311932

Copy to clipboard


                    The Materials Project. 2020.  
        "Materials Data on Re3Os by Materials Project".  United States.  https://doi.org/10.17188/1311932.  https://www.osti.gov/servlets/purl/1311932.

Copy to clipboard


                    
@article{osti_1311932,

  title        = {Materials Data on Re3Os by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Re3Os is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Re sites. In the first Re site, Re is bonded to eight Re and four equivalent Os atoms to form distorted ReRe8Os4 cuboctahedra that share corners with four equivalent OsRe12 cuboctahedra, corners with fourteen equivalent ReRe8Os4 cuboctahedra, edges with six equivalent OsRe12 cuboctahedra, edges with twelve ReRe8Os4 cuboctahedra, faces with four equivalent OsRe12 cuboctahedra, and faces with sixteen ReRe8Os4 cuboctahedra. There are a spread of Re–Re bond distances ranging from 2.73–2.80 Å. There are two shorter (2.75 Å) and two longer (2.78 Å) Re–Os bond lengths. In the second Re site, Re is bonded to eight equivalent Re and four equivalent Os atoms to form distorted ReRe8Os4 cuboctahedra that share corners with four equivalent OsRe12 cuboctahedra, corners with fourteen ReRe8Os4 cuboctahedra, edges with six equivalent OsRe12 cuboctahedra, edges with twelve equivalent ReRe8Os4 cuboctahedra, faces with four equivalent OsRe12 cuboctahedra, and faces with sixteen ReRe8Os4 cuboctahedra. There are two shorter (2.75 Å) and two longer (2.78 Å) Re–Os bond lengths. Os is bonded to twelve Re atoms to form OsRe12 cuboctahedra that share corners with six equivalent OsRe12 cuboctahedra, corners with twelve ReRe8Os4 cuboctahedra, edges with eighteen ReRe8Os4 cuboctahedra, faces with eight equivalent OsRe12 cuboctahedra, and faces with twelve ReRe8Os4 cuboctahedra.},

  doi          = {10.17188/1311932},

  url          = {https://www.osti.gov/biblio/1311932},
  journal      = {},
number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

https://doi.org/10.17188/1311932

Save / Share:

Export Metadata

Save to My Library

Similar records in OSTI.GOV collections:

Materials Data on Cu3Sn by Materials Project

Dataset

Cu3Sn is beta-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are fourteen inequivalent Cu sites. In the first Cu site, Cu is bonded to eight Cu and four Sn atoms to form distorted CuCu8Sn4 cuboctahedra that share corners with six SnCu12 cuboctahedra, corners with twelve CuCu8Sn4 cuboctahedra, an edgeedge with one SnCu12 cuboctahedra, edges with seventeen CuCu8Sn4 cuboctahedra, faces with six SnCu12 cuboctahedra, and faces with fourteen CuCu8Sn4 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.61–2.98 Å. There are two shorter (2.75 Å) and two longer (2.82 Å) Cu–Snmore »« less
https://doi.org/10.17188/1744594

View Dataset
Materials Data on Re3Ru by Materials Project

Dataset

Re3Ru is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Re sites. In the first Re site, Re is bonded to eight Re and four equivalent Ru atoms to form distorted ReRe8Ru4 cuboctahedra that share corners with four equivalent RuRe12 cuboctahedra, corners with fourteen equivalent ReRe8Ru4 cuboctahedra, edges with six equivalent RuRe12 cuboctahedra, edges with twelve ReRe8Ru4 cuboctahedra, faces with four equivalent RuRe12 cuboctahedra, and faces with sixteen ReRe8Ru4 cuboctahedra. There are a spread of Re–Re bond distances ranging from 2.72–2.82 Å. There are two shorter (2.75 Å) andmore »« less
https://doi.org/10.17188/1314595

View Dataset
Materials Data on CuSnPd2 by Materials Project

Dataset

Pd2CuSn crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are eight inequivalent Pd sites. In the first Pd site, Pd is bonded to four equivalent Pd, four Cu, and four Sn atoms to form distorted PdCu4Sn4Pd4 cuboctahedra that share corners with two equivalent CuSn4Pd8 cuboctahedra, corners with ten PdCu4Sn4Pd4 cuboctahedra, edges with four equivalent CuCu2Sn4Pd6 cuboctahedra, edges with eight SnCu3Pd9 cuboctahedra, edges with twelve PdCu3Sn4Pd5 cuboctahedra, faces with four CuSn4Pd8 cuboctahedra, faces with four SnCu3Pd9 cuboctahedra, and faces with ten PdCu4Sn4Pd4 cuboctahedra. All Pd–Pd bond lengths are 2.82 Å. There are two shorter (2.78 Å) andmore »« less
https://doi.org/10.17188/1727474

View Dataset
Materials Data on Re3Ru by Materials Project

Dataset

Re3Ru is beta-derived structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Re sites. In the first Re site, Re is bonded to eight Re and four equivalent Ru atoms to form ReRe8Ru4 cuboctahedra that share corners with four equivalent RuRe10Ru2 cuboctahedra, corners with fourteen equivalent ReRe8Ru4 cuboctahedra, edges with four equivalent RuRe10Ru2 cuboctahedra, edges with fourteen ReRe8Ru4 cuboctahedra, faces with six equivalent RuRe10Ru2 cuboctahedra, and faces with fourteen ReRe8Ru4 cuboctahedra. There are a spread of Re–Re bond distances ranging from 2.71–2.77 Å. There are two shorter (2.75 Å) and two longermore »« less
https://doi.org/10.17188/1314500

View Dataset
Materials Data on Fe3Sb by Materials Project

Dataset

Fe3Sb is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Fe sites. In the first Fe site, Fe is bonded to eight Fe and four equivalent Sb atoms to form distorted FeFe8Sb4 cuboctahedra that share corners with four equivalent SbFe12 cuboctahedra, corners with fourteen FeFe8Sb4 cuboctahedra, edges with six equivalent SbFe12 cuboctahedra, edges with twelve FeFe8Sb4 cuboctahedra, faces with four equivalent SbFe12 cuboctahedra, and faces with sixteen FeFe8Sb4 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.51–2.98 Å. There are two shorter (2.75 Å) and twomore »« less
https://doi.org/10.17188/1749010

View Dataset

Similar Records