Materials Data on Sr(AlSe2)2 by Materials Project

doi:10.17188/1308094

Title: Materials Data on Sr(AlSe2)2 by Materials Project

Dataset
Other Related Research

Abstract

Sr(AlSe2)2 crystallizes in the orthorhombic Cccm space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.29 Å) and four longer (3.32 Å) Sr–Se bond lengths. Al3+ is bonded to four Se2- atoms to form edge-sharing AlSe4 tetrahedra. There are a spread of Al–Se bond distances ranging from 2.41–2.44 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two equivalent Al3+ atoms. In the second Se2- site, Se2- is bonded to two equivalent Sr2+ and two equivalent Al3+ atoms to form a mixture of distorted edge and corner-sharing SeSr2Al2 trigonal pyramids.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-8422

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; Sr(AlSe2)2; Al-Se-Sr

OSTI Identifier:: 1308094

DOI:: https://doi.org/10.17188/1308094

Citation Formats


                    The Materials Project. Materials Data on Sr(AlSe2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1308094.

Copy to clipboard


                    The Materials Project. Materials Data on Sr(AlSe2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1308094

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Sr(AlSe2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1308094.  https://www.osti.gov/servlets/purl/1308094. Pub date:Tue Jul 14 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1308094,

  title        = {Materials Data on Sr(AlSe2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr(AlSe2)2 crystallizes in the orthorhombic Cccm space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.29 Å) and four longer (3.32 Å) Sr–Se bond lengths. Al3+ is bonded to four Se2- atoms to form edge-sharing AlSe4 tetrahedra. There are a spread of Al–Se bond distances ranging from 2.41–2.44 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two equivalent Al3+ atoms. In the second Se2- site, Se2- is bonded to two equivalent Sr2+ and two equivalent Al3+ atoms to form a mixture of distorted edge and corner-sharing SeSr2Al2 trigonal pyramids.},

  doi          = {10.17188/1308094},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1308094

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Ca(AlSe2)2 by Materials Project

Dataset The Materials Project

Ca(AlSe2)2 crystallizes in the orthorhombic Cccm space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.17 Å) and four longer (3.22 Å) Ca–Se bond lengths. Al3+ is bonded to four Se2- atoms to form edge-sharing AlSe4 tetrahedra. There are a spread of Al–Se bond distances ranging from 2.41–2.44 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Ca2+ and two equivalent Al3+ atoms to form a mixture of distorted edge and corner-sharing SeCa2Al2 trigonal pyramids. In the second Se2-more »« less
Materials Data on Mg(AlSe2)2 by Materials Project

Dataset The Materials Project

Mg(AlSe2)2 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Mg(AlSe2)2 sheets oriented in the (0, 0, 1) direction. Mg2+ is bonded to six equivalent Se2- atoms to form MgSe6 octahedra that share corners with six equivalent AlSe4 tetrahedra and edges with six equivalent MgSe6 octahedra. All Mg–Se bond lengths are 2.68 Å. Al3+ is bonded to four Se2- atoms to form AlSe4 tetrahedra that share corners with three equivalent MgSe6 octahedra and corners with six equivalent AlSe4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. There are one shorter (2.31 Å) and threemore »« less
Materials Data on Ba(AlSe2)2 by Materials Project

Dataset The Materials Project

BaAl2Se4 crystallizes in the orthorhombic Pnnn space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.43 Å) and four longer (3.45 Å) Ba–Se bond lengths. In the second Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.43 Å) and four longer (3.45 Å) Ba–Se bond lengths. Al3+ is bonded to four Se2- atoms to form edge-sharing AlSe4 tetrahedra. There are a spread of Al–Se bond distances ranging frommore »« less
Materials Data on Eu(AlSe2)2 by Materials Project

Dataset The Materials Project

Eu(AlSe2)2 crystallizes in the orthorhombic Cccm space group. The structure is three-dimensional. Eu2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.25 Å) and four longer (3.28 Å) Eu–Se bond lengths. Al3+ is bonded to four Se2- atoms to form edge-sharing AlSe4 tetrahedra. There are a spread of Al–Se bond distances ranging from 2.41–2.44 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent Eu2+ and two equivalent Al3+ atoms. In the second Se2- site, Se2- is bonded to two equivalent Eu2+more »« less
Materials Data on Sr(YS2)2 by Materials Project

Dataset The Materials Project

SrY2S4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are four shorter (2.91 Å) and four longer (3.13 Å) Sr–S bond lengths. Y3+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are a spread of Y–S bond distances ranging from 2.75–3.16 Å. S2- is bonded in a 6-coordinate geometry to two equivalent Sr2+ and four equivalent Y3+ atoms.

Similar Records