Materials Data on YMg2 by Materials Project

doi:10.17188/1188010

Title: Materials Data on YMg2 by Materials Project

Dataset
Other Related Research

Abstract

Mg2Y is Hexagonal Laves 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 six equivalent Mg and six equivalent Y atoms to form a mixture of corner, edge, and face-sharing MgY6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.05 Å. All Mg–Y bond lengths are 3.56 Å. In the second Mg site, Mg is bonded to six Mg and six equivalent Y atoms to form a mixture of corner, edge, and face-sharing MgY6Mg6 cuboctahedra. There are two shorter (2.95 Å) and two longer (3.11 Å) Mg–Mg bond lengths. There are two shorter (3.53 Å) and four longer (3.54 Å) Mg–Y bond lengths. Y is bonded in a 12-coordinate geometry to twelve Mg and four equivalent Y atoms. There are one shorter (3.65 Å) and three longer (3.72 Å) Y–Y bond lengths.

Publication Date:: 2020-07-15

Other Number(s):: mp-11499

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Mg-Y; YMg2; crystal structure

OSTI Identifier:: 1188010

DOI:: https://doi.org/10.17188/1188010

Citation Formats


                    Materials Data on YMg2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1188010.

Copy to clipboard


                    Materials Data on YMg2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1188010

Copy to clipboard


                    2020.  
"Materials Data on YMg2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1188010.  https://www.osti.gov/servlets/purl/1188010. Pub date:Wed Jul 15 04:00:00 UTC 2020

Copy to clipboard


                    
@article{osti_1188010,

  title        = {Materials Data on YMg2 by Materials Project},

  
  abstractNote = {Mg2Y is Hexagonal Laves 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 six equivalent Mg and six equivalent Y atoms to form a mixture of corner, edge, and face-sharing MgY6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.05 Å. All Mg–Y bond lengths are 3.56 Å. In the second Mg site, Mg is bonded to six Mg and six equivalent Y atoms to form a mixture of corner, edge, and face-sharing MgY6Mg6 cuboctahedra. There are two shorter (2.95 Å) and two longer (3.11 Å) Mg–Mg bond lengths. There are two shorter (3.53 Å) and four longer (3.54 Å) Mg–Y bond lengths. Y is bonded in a 12-coordinate geometry to twelve Mg and four equivalent Y atoms. There are one shorter (3.65 Å) and three longer (3.72 Å) Y–Y bond lengths.},

  doi          = {10.17188/1188010},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1188010

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on YMg2 by Materials Project

Dataset

Mg2Y is Magnesium-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with six equivalent YY9Mg3 cuboctahedra, corners with twelve MgMg12 cuboctahedra, edges with eighteen MgMg12 cuboctahedra, a faceface with one YY9Mg3 cuboctahedra, and faces with nineteen MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.27–3.34 Å. In the second Mg site, Mg is bonded to nine Mg and three equivalent Y atoms to form MgY3Mg9 cuboctahedramore »« less
Materials Data on YMg2 by Materials Project

Dataset

Mg2Y is Cubic Laves structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six equivalent Mg and six equivalent Y atoms to form a mixture of corner, edge, and face-sharing MgY6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.02 Å. All Mg–Y bond lengths are 3.55 Å. In the second Mg site, Mg is bonded to six Mg and six equivalent Y atoms to form a mixture of corner, edge, and face-sharing MgY6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.02 Å. Theremore »« less
Materials Data on YMg2 by Materials Project

Dataset

Mg2Y crystallizes in the hexagonal P-62m 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 Y atoms to form distorted MgY4Mg8 cuboctahedra that share corners with eighteen equivalent MgY4Mg8 cuboctahedra, edges with eight equivalent YY3Mg9 cuboctahedra, edges with ten MgY4Mg8 cuboctahedra, faces with eight equivalent YY3Mg9 cuboctahedra, and faces with twelve MgY4Mg8 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.22–3.49 Å. All Mg–Y bond lengths are 3.30 Å. In the second Mg site, Mg is bonded to six equivalentmore »« less
Materials Data on YMg2 by Materials Project

Dataset

Mg2Y crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six Mg and six equivalent Y atoms to form MgY6Mg6 cuboctahedra that share corners with six equivalent YY2Mg10 cuboctahedra, corners with twelve MgY6Mg6 cuboctahedra, edges with seven equivalent YY2Mg10 cuboctahedra, edges with eleven equivalent MgY4Mg8 cuboctahedra, faces with six equivalent YY2Mg10 cuboctahedra, and faces with fourteen MgY6Mg6 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.27–3.39 Å. There are two shorter (3.31 Å) and four longer (3.32 Å) Mg–Y bondmore »« less
Materials Data on YMg2 by Materials Project

Dataset

Mg2Y is beta-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded to seven equivalent Mg and five equivalent Y atoms to form MgY5Mg7 cuboctahedra that share corners with nine equivalent MgY5Mg7 cuboctahedra, corners with nine equivalent YY2Mg10 cuboctahedra, edges with four equivalent YY2Mg10 cuboctahedra, edges with fourteen equivalent MgY5Mg7 cuboctahedra, faces with seven equivalent YY2Mg10 cuboctahedra, and faces with thirteen equivalent MgY5Mg7 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.32–3.37 Å. There are a spread of Mg–Y bond distances ranging from 3.26–3.43 Å. Y is bonded to tenmore »« less

Similar Records