Materials Data on BaLi2(MgGe)2 by Materials Project

doi:10.17188/1275077

Title: Materials Data on BaLi2(MgGe)2 by Materials Project

Dataset
Other Related Research

Abstract

Li2Ba(MgGe)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li is bonded in a 6-coordinate geometry to three equivalent Ba, three equivalent Mg, and three equivalent Ge atoms. All Li–Ba bond lengths are 3.68 Å. All Li–Mg bond lengths are 2.86 Å. All Li–Ge bond lengths are 2.67 Å. Ba is bonded in a 6-coordinate geometry to six equivalent Li, two equivalent Mg, and six equivalent Ge atoms. Both Ba–Mg bond lengths are 3.57 Å. All Ba–Ge bond lengths are 3.57 Å. Mg is bonded in a 11-coordinate geometry to three equivalent Li, one Ba, and four equivalent Ge atoms. There are one shorter (2.82 Å) and three longer (2.92 Å) Mg–Ge bond lengths. Ge is bonded in a 10-coordinate geometry to three equivalent Li, three equivalent Ba, and four equivalent Mg atoms.

Authors:: The Materials Project

Publication Date:: 2017-05-15

Other Number(s):: mp-569396

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; BaLi2(MgGe)2; Ba-Ge-Li-Mg

OSTI Identifier:: 1275077

DOI:: https://doi.org/10.17188/1275077

Citation Formats


                    The Materials Project. Materials Data on BaLi2(MgGe)2 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1275077.

Copy to clipboard


                    The Materials Project. Materials Data on BaLi2(MgGe)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275077

Copy to clipboard


                    The Materials Project. 2017.  
"Materials Data on BaLi2(MgGe)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275077.  https://www.osti.gov/servlets/purl/1275077. Pub date:Mon May 15 00:00:00 EDT 2017

Copy to clipboard


                    
@article{osti_1275077,

  title        = {Materials Data on BaLi2(MgGe)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li2Ba(MgGe)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li is bonded in a 6-coordinate geometry to three equivalent Ba, three equivalent Mg, and three equivalent Ge atoms. All Li–Ba bond lengths are 3.68 Å. All Li–Mg bond lengths are 2.86 Å. All Li–Ge bond lengths are 2.67 Å. Ba is bonded in a 6-coordinate geometry to six equivalent Li, two equivalent Mg, and six equivalent Ge atoms. Both Ba–Mg bond lengths are 3.57 Å. All Ba–Ge bond lengths are 3.57 Å. Mg is bonded in a 11-coordinate geometry to three equivalent Li, one Ba, and four equivalent Ge atoms. There are one shorter (2.82 Å) and three longer (2.92 Å) Mg–Ge bond lengths. Ge is bonded in a 10-coordinate geometry to three equivalent Li, three equivalent Ba, and four equivalent Mg atoms.},

  doi          = {10.17188/1275077},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1275077

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Ba(MgGe)2 by Materials Project

Dataset The Materials Project

Ba(MgGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to eight equivalent Mg and eight equivalent Ge atoms. All Ba–Mg bond lengths are 3.71 Å. All Ba–Ge bond lengths are 3.58 Å. Mg is bonded to four equivalent Ba and four equivalent Ge atoms to form a mixture of corner, edge, and face-sharing MgBa4Ge4 tetrahedra. All Mg–Ge bond lengths are 2.81 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Ba, four equivalent Mg, and one Ge atom. The Ge–Ge bond length is 2.67 Å.
Materials Data on Eu(MgGe)3 by Materials Project

Dataset The Materials Project

Eu(MgGe)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to four Ge atoms to form a mixture of corner and edge-sharing MgGe4 tetrahedra. There are two shorter (2.73 Å) and two longer (2.80 Å) Mg–Ge bond lengths. In the second Mg site, Mg is bonded to four Ge atoms to form a mixture of corner and edge-sharing MgGe4 tetrahedra. There are two shorter (2.76 Å) and two longer (2.78 Å) Mg–Ge bond lengths. In the third Mg site, Mg is bonded to fourmore »« less
Materials Data on Ce5(MgGe)8 by Materials Project

Dataset The Materials Project

Ce5(MgGe)8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded to four Ge atoms to form distorted MgGe4 tetrahedra that share corners with six CeGe6 octahedra, corners with six MgGe4 tetrahedra, edges with three CeGe6 octahedra, and edges with three MgGe4 tetrahedra. The corner-sharing octahedra tilt angles range from 11–58°. There are a spread of Mg–Ge bond distances ranging from 2.76–2.97 Å. In the second Mg site, Mg is bonded to one Ce and four Ge atoms to form distorted MgCeGe4 tetrahedra that sharemore »« less
Materials Data on Eu3(MgGe)5 by Materials Project

Dataset The Materials Project

Eu3(MgGe)5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded to four Ge atoms to form MgGe4 tetrahedra that share corners with five MgGe4 tetrahedra and edges with four MgEuGe4 tetrahedra. There are two shorter (2.74 Å) and two longer (2.77 Å) Mg–Ge bond lengths. In the second Mg site, Mg is bonded to one Eu and four Ge atoms to form distorted MgEuGe4 tetrahedra that share corners with seven MgGe4 tetrahedra, edges with four MgEu2Ge4 tetrahedra, and faces with two equivalent MgEu2Ge4 tetrahedra.more »« less
Materials Data on MgGe by Materials Project

Dataset The Materials Project

MgGe is alpha-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded in a 7-coordinate geometry to seven equivalent Ge atoms. There are a spread of Mg–Ge bond distances ranging from 2.86–2.99 Å. Ge is bonded in a 7-coordinate geometry to seven equivalent Mg atoms.

Similar Records