Materials Data on TmMg3 by Materials Project

doi:10.17188/1729236

Title: Materials Data on TmMg3 by Materials Project

Dataset
Other Related Research

Abstract

Mg3Tm is Uranium Silicide structured and crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Mg and four equivalent Tm atoms to form MgTm4Mg8 cuboctahedra that share corners with twelve equivalent MgTm4Mg8 cuboctahedra, edges with eight equivalent TmMg12 cuboctahedra, faces with four equivalent TmMg12 cuboctahedra, and faces with six equivalent MgTm4Mg8 cuboctahedra. There are four shorter (3.20 Å) and four longer (3.21 Å) Mg–Mg bond lengths. All Mg–Tm bond lengths are 3.51 Å. In the second Mg site, Mg is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Tm atoms. All Mg–Tm bond lengths are 3.20 Å. In the third Mg site, Mg is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Tm atoms. All Mg–Tm bond lengths are 3.21 Å. Tm is bonded to twelve Mg atoms to form distorted TmMg12 cuboctahedra that share corners with twelve equivalent TmMg12 cuboctahedra, edges with eight equivalent MgTm4Mg8 cuboctahedra, faces with four equivalent MgTm4Mg8 cuboctahedra, and faces with six equivalent TmMg12 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1187597

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; TmMg3; Mg-Tm

OSTI Identifier:: 1729236

DOI:: https://doi.org/10.17188/1729236

Citation Formats


                    The Materials Project. Materials Data on TmMg3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1729236.

Copy to clipboard


                    The Materials Project. Materials Data on TmMg3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1729236

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on TmMg3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1729236.  https://www.osti.gov/servlets/purl/1729236. Pub date:Sat May 02 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1729236,

  title        = {Materials Data on TmMg3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg3Tm is Uranium Silicide structured and crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Mg and four equivalent Tm atoms to form MgTm4Mg8 cuboctahedra that share corners with twelve equivalent MgTm4Mg8 cuboctahedra, edges with eight equivalent TmMg12 cuboctahedra, faces with four equivalent TmMg12 cuboctahedra, and faces with six equivalent MgTm4Mg8 cuboctahedra. There are four shorter (3.20 Å) and four longer (3.21 Å) Mg–Mg bond lengths. All Mg–Tm bond lengths are 3.51 Å. In the second Mg site, Mg is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Tm atoms. All Mg–Tm bond lengths are 3.20 Å. In the third Mg site, Mg is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Tm atoms. All Mg–Tm bond lengths are 3.21 Å. Tm is bonded to twelve Mg atoms to form distorted TmMg12 cuboctahedra that share corners with twelve equivalent TmMg12 cuboctahedra, edges with eight equivalent MgTm4Mg8 cuboctahedra, faces with four equivalent MgTm4Mg8 cuboctahedra, and faces with six equivalent TmMg12 cuboctahedra.},

  doi          = {10.17188/1729236},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1729236

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on TmMg3 by Materials Project

Dataset The Materials Project

Mg3Tm is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Mg and four equivalent Tm atoms to form MgTm4Mg8 cuboctahedra that share corners with four equivalent TmMg12 cuboctahedra, corners with fourteen MgTm4Mg8 cuboctahedra, edges with six equivalent TmMg12 cuboctahedra, edges with twelve MgTm4Mg8 cuboctahedra, faces with four equivalent TmMg12 cuboctahedra, and faces with sixteen MgTm4Mg8 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.20–3.37 Å. There are two shorter (3.24 Å) and two longermore »« less
Materials Data on TmMg3 by Materials Project

Dataset The Materials Project

Mg3Tm is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Tm atoms. All Mg–Mg bond lengths are 3.16 Å. All Mg–Tm bond lengths are 3.16 Å. In the second Mg site, Mg is bonded in a distorted body-centered cubic geometry to eight equivalent Mg and six equivalent Tm atoms. All Mg–Tm bond lengths are 3.64 Å. Tm is bonded in a distorted body-centered cubic geometry tomore » fourteen Mg atoms.« less
Materials Data on TmMg3 by Materials Project

Dataset The Materials Project

Mg3Tm is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mg and four equivalent Tm atoms to form MgTm4Mg8 cuboctahedra that share corners with twelve equivalent MgTm4Mg8 cuboctahedra, edges with eight equivalent TmMg12 cuboctahedra, edges with sixteen equivalent MgTm4Mg8 cuboctahedra, faces with four equivalent TmMg12 cuboctahedra, and faces with fourteen equivalent MgTm4Mg8 cuboctahedra. All Mg–Mg bond lengths are 3.27 Å. All Mg–Tm bond lengths are 3.27 Å. Tm is bonded to twelve equivalent Mg atoms to form TmMg12 cuboctahedra that share corners with twelve equivalent TmMg12 cuboctahedra,more »« less
Materials Data on LiMg9B20 by Materials Project

Dataset The Materials Project

LiMg9B20 is hexagonal omega structure-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li is bonded to twelve B atoms to form LiB12 cuboctahedra that share edges with twelve MgB12 cuboctahedra and faces with eight MgB12 cuboctahedra. There are a spread of Li–B bond distances ranging from 2.48–2.50 Å. There are five inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve B atoms to form MgB12 cuboctahedra that share edges with twelve MgB12 cuboctahedra, faces with two equivalent LiB12 cuboctahedra, and faces with six MgB12 cuboctahedra. There are a spread ofmore »« less
Materials Data on Y(CoB)2 by Materials Project

Dataset The Materials Project

YCo2B2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y3+ is bonded in a body-centered cubic geometry to eight equivalent B3- atoms. All Y–B bond lengths are 2.89 Å. Co+1.50+ is bonded to four equivalent B3- atoms to form a mixture of distorted edge and corner-sharing CoB4 tetrahedra. All Co–B bond lengths are 2.00 Å. B3- is bonded in a 4-coordinate geometry to four equivalent Y3+ and four equivalent Co+1.50+ atoms.

Similar Records