Materials Data on LiAlS3(Cl2O3)2 by Materials Project

doi:10.17188/1269283

Title: Materials Data on LiAlS3(Cl2O3)2 by Materials Project

Dataset
Other Related Research

Abstract

Li(SO2)3AlCl4 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four AlCl4 clusters and two Li(SO2)3 ribbons oriented in the (1, 0, 0) direction. In each AlCl4 cluster, Al3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Al–Cl bond distances ranging from 2.15–2.18 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In each Li(SO2)3 ribbon, Li1+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.13–2.20 Å. There are two inequivalent S4+ sites. In the first S4+ site, S4+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both S–O bond lengths are 1.45 Å. In the second S4+ site, S4+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both S–O bond lengths are 1.45 Å. There are four inequivalent O2- sites. Inmore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-556310

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; LiAlS3(Cl2O3)2; Al-Cl-Li-O-S

OSTI Identifier:: 1269283

DOI:: https://doi.org/10.17188/1269283

Citation Formats


                    The Materials Project. Materials Data on LiAlS3(Cl2O3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269283.

Copy to clipboard


                    The Materials Project. Materials Data on LiAlS3(Cl2O3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1269283

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on LiAlS3(Cl2O3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1269283.  https://www.osti.gov/servlets/purl/1269283. Pub date:Wed Jul 15 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1269283,

  title        = {Materials Data on LiAlS3(Cl2O3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li(SO2)3AlCl4 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four AlCl4 clusters and two Li(SO2)3 ribbons oriented in the (1, 0, 0) direction. In each AlCl4 cluster, Al3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Al–Cl bond distances ranging from 2.15–2.18 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In each Li(SO2)3 ribbon, Li1+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.13–2.20 Å. There are two inequivalent S4+ sites. In the first S4+ site, S4+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both S–O bond lengths are 1.45 Å. In the second S4+ site, S4+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both S–O bond lengths are 1.45 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one S4+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one S4+ atom. In the third O2- site, O2- is bonded in a linear geometry to one Li1+ and one S4+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one S4+ atom.},

  doi          = {10.17188/1269283},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1269283

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on TeH12(Cl2O3)2 by Materials Project

Dataset The Materials Project

(H2O)2H7O3HTeOCl4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of eight water molecules, four H7O3 clusters, and four HTeOCl4 clusters. In each H7O3 cluster, there are seven inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.15 Å) and one longer (1.31 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometrymore »« less
Materials Data on Pb3I2(Cl2O3)2 by Materials Project

Dataset The Materials Project

Pb3I2(O3Cl2)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Pb4+ sites. In the first Pb4+ site, Pb4+ is bonded in a 6-coordinate geometry to four O2- and two equivalent Cl1- atoms. There are two shorter (2.50 Å) and two longer (2.76 Å) Pb–O bond lengths. Both Pb–Cl bond lengths are 2.96 Å. In the second Pb4+ site, Pb4+ is bonded in a 1-coordinate geometry to four O2- and four Cl1- atoms. There are a spread of Pb–O bond distances ranging from 2.61–2.86 Å. There are a spread of Pb–Cl bond distances ranging frommore »« less
Materials Data on Co2CN9(Cl2O3)2 by Materials Project

Dataset The Materials Project

(CoN2Cl)4(N2)3(CO2)2(NO2Cl)4 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four carbon dioxide molecules, four triazane molecules, eight CoN2Cl clusters, and four NO2Cl clusters. In each CoN2Cl cluster, Co+3.50+ is bonded in a 1-coordinate geometry to two N+0.56+ atoms. There is one shorter (1.55 Å) and one longer (1.71 Å) Co–N bond length. There are two inequivalent N+0.56+ sites. In the first N+0.56+ site, N+0.56+ is bonded in a single-bond geometry to one Co+3.50+ atom. In the second N+0.56+ site, N+0.56+ is bonded in a distorted bent 120 degrees geometry to one Co+3.50+ and onemore »« less
Materials Data on ZnCoH22C5N10(Cl2O3)2 by Materials Project

Dataset The Materials Project

CoC5H22(N5O3)2ZnCl4 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two CoC5H22(N5O3)2 clusters and two ZnCl4 clusters. In each CoC5H22(N5O3)2 cluster, Co2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Co–O bond distances ranging from 2.09–2.20 Å. There are five inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to two N3- and one O2- atom. There is one shorter (1.35 Å) and one longer (1.36 Å) C–N bond length. The C–O bond length is 1.27 Å. In the second C4+more »« less
Materials Data on MgZn(Cl2O3)2 by Materials Project

Dataset The Materials Project

MgZn(O3Cl2)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one MgZn(O3Cl2)2 sheet oriented in the (1, 1, 1) direction. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in an octahedral geometry to six O atoms. There are a spread of Mg–O bond distances ranging from 2.03–2.28 Å. In the second Mg site, Mg is bonded in an octahedral geometry to six O atoms. There are a spread of Mg–O bond distances ranging from 1.99–2.32 Å. Zn is bonded in a distorted see-saw-like geometry to two O and twomore »« less

Similar Records