Materials Data on Sr3(AlSi)2 by Materials Project

doi:10.17188/1286261

Title: Materials Data on Sr3(AlSi)2 by Materials Project

Dataset
Other Related Research

Abstract

Al2Si2Sr3 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded to eight equivalent Al and four equivalent Si atoms to form a mixture of face and edge-sharing SrAl8Si4 cuboctahedra. All Sr–Al bond lengths are 3.45 Å. All Sr–Si bond lengths are 3.62 Å. In the second Sr site, Sr is bonded in a 7-coordinate geometry to two equivalent Al and five equivalent Si atoms. Both Sr–Al bond lengths are 3.32 Å. There are four shorter (3.32 Å) and one longer (3.38 Å) Sr–Si bond lengths. Al is bonded in a 2-coordinate geometry to six Sr, one Al, and two equivalent Si atoms. The Al–Al bond length is 2.58 Å. Both Al–Si bond lengths are 2.52 Å. Si is bonded in a 2-coordinate geometry to seven Sr and two equivalent Al atoms.

Publication Date:: Thu Jul 16 04:00:00 UTC 2020

Other Number(s):: mp-7068

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; Al-Si-Sr; Sr3(AlSi)2; crystal structure

OSTI Identifier:: 1286261

DOI:: https://doi.org/10.17188/1286261

Citation Formats


                    Materials Data on Sr3(AlSi)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1286261.

Copy to clipboard


                    Materials Data on Sr3(AlSi)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1286261

Copy to clipboard


                    2020.  
"Materials Data on Sr3(AlSi)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1286261.  https://www.osti.gov/servlets/purl/1286261. Pub date:Thu Jul 16 04:00:00 UTC 2020

Copy to clipboard


                    
@article{osti_1286261,

  title        = {Materials Data on Sr3(AlSi)2 by Materials Project},

  
  abstractNote = {Al2Si2Sr3 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded to eight equivalent Al and four equivalent Si atoms to form a mixture of face and edge-sharing SrAl8Si4 cuboctahedra. All Sr–Al bond lengths are 3.45 Å. All Sr–Si bond lengths are 3.62 Å. In the second Sr site, Sr is bonded in a 7-coordinate geometry to two equivalent Al and five equivalent Si atoms. Both Sr–Al bond lengths are 3.32 Å. There are four shorter (3.32 Å) and one longer (3.38 Å) Sr–Si bond lengths. Al is bonded in a 2-coordinate geometry to six Sr, one Al, and two equivalent Si atoms. The Al–Al bond length is 2.58 Å. Both Al–Si bond lengths are 2.52 Å. Si is bonded in a 2-coordinate geometry to seven Sr and two equivalent Al atoms.},

  doi          = {10.17188/1286261},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 04:00:00 UTC 2020},

  month        = {Thu Jul 16 04:00:00 UTC 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1286261

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Sm(AlSi)2 by Materials Project

Dataset

Al2Si2Sm crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Sm2+ is bonded to six equivalent Si4- atoms to form SmSi6 octahedra that share corners with twelve equivalent AlSi4 tetrahedra, edges with six equivalent SmSi6 octahedra, and edges with six equivalent AlSi4 tetrahedra. All Sm–Si bond lengths are 3.02 Å. Al3+ is bonded to four equivalent Si4- atoms to form AlSi4 tetrahedra that share corners with six equivalent SmSi6 octahedra, corners with six equivalent AlSi4 tetrahedra, edges with three equivalent SmSi6 octahedra, and edges with three equivalent AlSi4 tetrahedra. The corner-sharing octahedra tilt angles range from 22–54°. Theremore »« less
Materials Data on Dy(AlSi)2 by Materials Project

Dataset

DyAl2Si2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Dy is bonded to six equivalent Si atoms to form distorted DySi6 octahedra that share corners with twelve equivalent AlSi4 tetrahedra, edges with six equivalent DySi6 octahedra, and edges with six equivalent AlSi4 tetrahedra. All Dy–Si bond lengths are 2.97 Å. Al is bonded to four equivalent Si atoms to form distorted AlSi4 tetrahedra that share corners with six equivalent DySi6 octahedra, corners with six equivalent AlSi4 tetrahedra, edges with three equivalent DySi6 octahedra, and edges with three equivalent AlSi4 tetrahedra. The corner-sharing octahedra tilt angles range frommore »« less
Materials Data on Yb(AlSi)2 by Materials Project

Dataset

YbAl2Si2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Yb2+ is bonded to six equivalent Si4- atoms to form YbSi6 octahedra that share corners with twelve equivalent AlSi4 tetrahedra, edges with six equivalent YbSi6 octahedra, and edges with six equivalent AlSi4 tetrahedra. All Yb–Si bond lengths are 3.02 Å. Al3+ is bonded to four equivalent Si4- atoms to form AlSi4 tetrahedra that share corners with six equivalent YbSi6 octahedra, corners with six equivalent AlSi4 tetrahedra, edges with three equivalent YbSi6 octahedra, and edges with three equivalent AlSi4 tetrahedra. The corner-sharing octahedra tilt angles range from 20–52°. Theremore »« less
Materials Data on Y(AlSi)2 by Materials Project

Dataset

YAl2Si2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Y is bonded to six equivalent Si atoms to form distorted YSi6 octahedra that share corners with twelve equivalent AlSi4 tetrahedra, edges with six equivalent YSi6 octahedra, and edges with six equivalent AlSi4 tetrahedra. All Y–Si bond lengths are 2.97 Å. Al is bonded to four equivalent Si atoms to form distorted AlSi4 tetrahedra that share corners with six equivalent YSi6 octahedra, corners with six equivalent AlSi4 tetrahedra, edges with three equivalent YSi6 octahedra, and edges with three equivalent AlSi4 tetrahedra. The corner-sharing octahedra tilt angles range frommore »« less
Materials Data on Tb(AlSi)2 by Materials Project

Dataset

TbAl2Si2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Tb is bonded to six equivalent Si atoms to form distorted TbSi6 octahedra that share corners with twelve equivalent AlSi4 tetrahedra, edges with six equivalent TbSi6 octahedra, and edges with six equivalent AlSi4 tetrahedra. All Tb–Si bond lengths are 2.98 Å. Al is bonded to four equivalent Si atoms to form distorted AlSi4 tetrahedra that share corners with six equivalent TbSi6 octahedra, corners with six equivalent AlSi4 tetrahedra, edges with three equivalent TbSi6 octahedra, and edges with three equivalent AlSi4 tetrahedra. The corner-sharing octahedra tilt angles range frommore »« less

Similar Records