Materials Data on YMg by Materials Project

doi:10.17188/1749257

Title: Materials Data on YMg by Materials Project

Dataset
Other Related Research

Abstract

MgY is beta-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to five Mg and seven Y atoms. There are a spread of Mg–Mg bond distances ranging from 3.31–3.51 Å. There are a spread of Mg–Y bond distances ranging from 3.26–3.63 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to five Mg and seven Y atoms. There are two shorter (3.37 Å) and two longer (3.51 Å) Mg–Mg bond lengths. There are a spread of Mg–Y bond distances ranging from 3.26–3.63 Å. In the third Mg site, Mg is bonded to four Mg and eight Y atoms to form distorted MgY8Mg4 cuboctahedra that share corners with eighteen YY5Mg7 cuboctahedra, edges with four equivalent YY4Mg8 cuboctahedra, edges with six equivalent MgY8Mg4 cuboctahedra, faces with two equivalent MgY8Mg4 cuboctahedra, and faces with ten YY4Mg8 cuboctahedra. There are a spread of Mg–Y bond distances ranging from 3.25–3.69 Å. There are four inequivalent Y sites. In the first Y site, Y is bonded to eight Mg and four Y atoms to form distorted YY4Mg8 cuboctahedra thatmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1094453

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; YMg; Mg-Y

OSTI Identifier:: 1749257

DOI:: https://doi.org/10.17188/1749257

Citation Formats


                    The Materials Project. Materials Data on YMg by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1749257.

Copy to clipboard


                    The Materials Project. Materials Data on YMg by Materials Project.  United States.  doi:https://doi.org/10.17188/1749257

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on YMg by Materials Project".  United States.  doi:https://doi.org/10.17188/1749257.  https://www.osti.gov/servlets/purl/1749257. Pub date:Mon May 04 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1749257,

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

  author       = {The Materials Project},

  abstractNote = {MgY is beta-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to five Mg and seven Y atoms. There are a spread of Mg–Mg bond distances ranging from 3.31–3.51 Å. There are a spread of Mg–Y bond distances ranging from 3.26–3.63 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to five Mg and seven Y atoms. There are two shorter (3.37 Å) and two longer (3.51 Å) Mg–Mg bond lengths. There are a spread of Mg–Y bond distances ranging from 3.26–3.63 Å. In the third Mg site, Mg is bonded to four Mg and eight Y atoms to form distorted MgY8Mg4 cuboctahedra that share corners with eighteen YY5Mg7 cuboctahedra, edges with four equivalent YY4Mg8 cuboctahedra, edges with six equivalent MgY8Mg4 cuboctahedra, faces with two equivalent MgY8Mg4 cuboctahedra, and faces with ten YY4Mg8 cuboctahedra. There are a spread of Mg–Y bond distances ranging from 3.25–3.69 Å. There are four inequivalent Y sites. In the first Y site, Y is bonded to eight Mg and four Y atoms to form distorted YY4Mg8 cuboctahedra that share edges with four equivalent MgY8Mg4 cuboctahedra, edges with fourteen YY4Mg8 cuboctahedra, faces with four equivalent MgY8Mg4 cuboctahedra, and faces with ten YY4Mg8 cuboctahedra. All Y–Y bond lengths are 3.58 Å. In the second Y site, Y is bonded to seven Mg and five Y atoms to form distorted YY5Mg7 cuboctahedra that share corners with nine equivalent MgY8Mg4 cuboctahedra, corners with nine YY5Mg7 cuboctahedra, edges with ten YY4Mg8 cuboctahedra, faces with three equivalent MgY8Mg4 cuboctahedra, and faces with nine YY4Mg8 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.36–3.63 Å. In the third Y site, Y is bonded to seven Mg and five Y atoms to form distorted YY5Mg7 cuboctahedra that share corners with nine equivalent MgY8Mg4 cuboctahedra, corners with nine YY5Mg7 cuboctahedra, edges with ten YY4Mg8 cuboctahedra, faces with three equivalent MgY8Mg4 cuboctahedra, and faces with nine YY4Mg8 cuboctahedra. Both Y–Y bond lengths are 3.36 Å. In the fourth Y site, Y is bonded to seven Mg and five Y atoms to form distorted YY5Mg7 cuboctahedra that share corners with nine equivalent MgY8Mg4 cuboctahedra, corners with nine YY5Mg7 cuboctahedra, edges with ten YY4Mg8 cuboctahedra, faces with three equivalent MgY8Mg4 cuboctahedra, and faces with nine YY4Mg8 cuboctahedra. The Y–Y bond length is 3.63 Å.},

  doi          = {10.17188/1749257},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1749257

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on YMg by Materials Project

Dataset The Materials Project

MgY is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Y atoms. All Mg–Y bond lengths are 3.29 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
Materials Data on YMg(NiH)4 by Materials Project

Dataset The Materials Project

YMgNi4H4 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to four equivalent Y and twelve equivalent Ni atoms. All Mg–Y bond lengths are 3.21 Å. All Mg–Ni bond lengths are 3.06 Å. Y is bonded to four equivalent Mg and four equivalent H atoms to form corner-sharing YMg4H4 tetrahedra. All Y–H bond lengths are 2.06 Å. Ni is bonded in a 9-coordinate geometry to three equivalent Mg and three equivalent H atoms. All Ni–H bond lengths are 1.70 Å. H is bonded to one Y and three equivalent Ni atomsmore »« less
Materials Data on YMg by Materials Project

Dataset The Materials Project

MgY crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Y atoms. There are a spread of Mg–Mg bond distances ranging from 3.37–3.53 Å. There are a spread of Mg–Y bond distances ranging from 3.24–3.43 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Y atoms. There are two shorter (3.30 Å) and two longer (3.50 Å) Mg–Mg bond lengths. There are a spread of Mg–Ymore »« less
Materials Data on YMg by Materials Project

Dataset The Materials Project

MgY is beta-derived structured and crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to five Mg and seven Y atoms to form distorted MgY7Mg5 cuboctahedra that share corners with six equivalent YY4Mg8 cuboctahedra, corners with twelve equivalent MgY7Mg5 cuboctahedra, edges with eight equivalent YY5Mg7 cuboctahedra, edges with ten MgY8Mg4 cuboctahedra, faces with eight MgY8Mg4 cuboctahedra, and faces with twelve YY5Mg7 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.38–3.46 Å. There are a spread of Mg–Y bond distances ranging frommore »« less
Materials Data on YMg by Materials Project

Dataset The Materials Project

MgY crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to six Mg and four Y atoms. There are two shorter (3.32 Å) and four longer (3.38 Å) Mg–Mg bond lengths. There are two shorter (3.26 Å) and two longer (3.32 Å) Mg–Y bond lengths. In the second Mg site, Mg is bonded in a 10-coordinate geometry to four Mg and six Y atoms. Both Mg–Mg bond lengths are 3.29 Å. There are four shorter (3.37 Å) and two longermore »« less

Similar Records