Materials Data on SrMg5 by Materials Project

doi:10.17188/1680775

Title: Materials Data on SrMg5 by Materials Project

Dataset
Other Related Research

Abstract

SrMg5 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sr is bonded to six equivalent Sr and six equivalent Mg atoms to form SrSr6Mg6 cuboctahedra that share corners with six equivalent SrSr6Mg6 cuboctahedra, corners with twelve equivalent MgMg6 cuboctahedra, edges with six equivalent SrSr6Mg6 cuboctahedra, faces with two equivalent MgMg6 cuboctahedra, and faces with six equivalent SrSr6Mg6 cuboctahedra. All Sr–Sr bond lengths are 3.52 Å. All Sr–Mg bond lengths are 3.60 Å. There are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to three equivalent Sr and three equivalent Mg atoms. All Mg–Mg bond lengths are 3.11 Å. In the second Mg site, Mg is bonded to six Mg atoms to form distorted MgMg6 cuboctahedra that share corners with six equivalent SrSr6Mg6 cuboctahedra, corners with six equivalent MgMg6 cuboctahedra, edges with six equivalent MgMg6 cuboctahedra, a faceface with one SrSr6Mg6 cuboctahedra, and a faceface with one MgMg6 cuboctahedra. All Mg–Mg bond lengths are 3.12 Å. In the third Mg site, Mg is bonded to six equivalent Mg atoms to form distorted edge-sharing MgMg6 cuboctahedra.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1094321

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; SrMg5; Mg-Sr

OSTI Identifier:: 1680775

DOI:: https://doi.org/10.17188/1680775

Citation Formats


                    The Materials Project. Materials Data on SrMg5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1680775.

Copy to clipboard


                    The Materials Project. Materials Data on SrMg5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1680775

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on SrMg5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1680775.  https://www.osti.gov/servlets/purl/1680775. Pub date:Sat May 02 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1680775,

  title        = {Materials Data on SrMg5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrMg5 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sr is bonded to six equivalent Sr and six equivalent Mg atoms to form SrSr6Mg6 cuboctahedra that share corners with six equivalent SrSr6Mg6 cuboctahedra, corners with twelve equivalent MgMg6 cuboctahedra, edges with six equivalent SrSr6Mg6 cuboctahedra, faces with two equivalent MgMg6 cuboctahedra, and faces with six equivalent SrSr6Mg6 cuboctahedra. All Sr–Sr bond lengths are 3.52 Å. All Sr–Mg bond lengths are 3.60 Å. There are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to three equivalent Sr and three equivalent Mg atoms. All Mg–Mg bond lengths are 3.11 Å. In the second Mg site, Mg is bonded to six Mg atoms to form distorted MgMg6 cuboctahedra that share corners with six equivalent SrSr6Mg6 cuboctahedra, corners with six equivalent MgMg6 cuboctahedra, edges with six equivalent MgMg6 cuboctahedra, a faceface with one SrSr6Mg6 cuboctahedra, and a faceface with one MgMg6 cuboctahedra. All Mg–Mg bond lengths are 3.12 Å. In the third Mg site, Mg is bonded to six equivalent Mg atoms to form distorted edge-sharing MgMg6 cuboctahedra.},

  doi          = {10.17188/1680775},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1680775

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on SrMg5 by Materials Project

Dataset The Materials Project

SrMg5 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sr is bonded in a distorted hexagonal planar geometry to eighteen Mg atoms. There are a spread of Sr–Mg bond distances ranging from 3.57–4.02 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded to four equivalent Sr and eight Mg atoms to form a mixture of distorted edge, face, and corner-sharing MgSr4Mg8 cuboctahedra. All Mg–Mg bond lengths are 3.10 Å. In the second Mg site, Mg is bonded in a 9-coordinate geometry to three equivalent Sr and six Mg atoms. Both Mg–Mgmore »« less
Materials Data on SrMg5 by Materials Project

Dataset The Materials Project

SrMg5 crystallizes in the trigonal R32 space group. The structure is three-dimensional. Sr is bonded to twelve Mg atoms to form SrMg12 cuboctahedra that share corners with six equivalent SrMg12 cuboctahedra, corners with twelve equivalent MgSr3Mg9 cuboctahedra, edges with six equivalent SrMg12 cuboctahedra, edges with twelve equivalent MgSr2Mg10 cuboctahedra, and faces with twenty MgSr2Mg10 cuboctahedra. There are six shorter (3.34 Å) and six longer (3.48 Å) Sr–Mg bond lengths. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded to two equivalent Sr and ten Mg atoms to form distorted MgSr2Mg10 cuboctahedra that share corners withmore »« less
Materials Data on SrMg5 by Materials Project

Dataset The Materials Project

SrMg5 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Sr is bonded to two equivalent Sr and ten Mg atoms to form distorted SrSr2Mg10 cuboctahedra that share corners with six equivalent SrSr2Mg10 cuboctahedra, corners with twelve MgSr2Mg10 cuboctahedra, edges with fourteen MgMg10 cuboctahedra, faces with four equivalent SrSr2Mg10 cuboctahedra, and faces with six MgMg10 cuboctahedra. Both Sr–Sr bond lengths are 3.51 Å. There are a spread of Sr–Mg bond distances ranging from 3.46–3.66 Å. There are five inequivalent Mg sites. In the first Mg site, Mg is bonded to ten Mg atoms to form distorted MgMg10 cuboctahedramore »« 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