Materials Data on LaS by Materials Project

doi:10.17188/1195354

Title: Materials Data on LaS by Materials Project

Dataset
Other Related Research

Abstract

LaS crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one LaS sheet oriented in the (0, 0, 1) direction. La2+ is bonded to five equivalent S2- atoms to form a mixture of distorted corner and edge-sharing LaS5 square pyramids. There are four shorter (2.90 Å) and one longer (2.93 Å) La–S bond lengths. S2- is bonded to five equivalent La2+ atoms to form a mixture of corner and edge-sharing SLa5 square pyramids.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-20215

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; LaS; La-S

OSTI Identifier:: 1195354

DOI:: https://doi.org/10.17188/1195354

Citation Formats


                    The Materials Project. Materials Data on LaS by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1195354.

Copy to clipboard


                    The Materials Project. Materials Data on LaS by Materials Project.  United States.  doi:https://doi.org/10.17188/1195354

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on LaS by Materials Project".  United States.  doi:https://doi.org/10.17188/1195354.  https://www.osti.gov/servlets/purl/1195354. Pub date:Sat May 02 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1195354,

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

  author       = {The Materials Project},

  abstractNote = {LaS crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one LaS sheet oriented in the (0, 0, 1) direction. La2+ is bonded to five equivalent S2- atoms to form a mixture of distorted corner and edge-sharing LaS5 square pyramids. There are four shorter (2.90 Å) and one longer (2.93 Å) La–S bond lengths. S2- is bonded to five equivalent La2+ atoms to form a mixture of corner and edge-sharing SLa5 square pyramids.},

  doi          = {10.17188/1195354},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1195354

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on La(FeSi)2 by Materials Project

Dataset The Materials Project

LaFe2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All La–Si bond lengths are 3.21 Å. Fe+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of distorted edge and corner-sharing FeSi4 tetrahedra. All Fe–Si bond lengths are 2.28 Å. Si4- is bonded in a 4-coordinate geometry to four equivalent La3+ and four equivalent Fe+2.50+ atoms.
Materials Data on La(SiPt)2 by Materials Project

Dataset The Materials Project

LaPt2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La2+ is bonded to eight equivalent Si4- atoms to form LaSi8 hexagonal bipyramids that share corners with sixteen equivalent PtSi4 tetrahedra, edges with four equivalent LaSi8 hexagonal bipyramids, edges with eight equivalent PtSi4 tetrahedra, and faces with four equivalent LaSi8 hexagonal bipyramids. All La–Si bond lengths are 3.29 Å. Pt3+ is bonded to four equivalent Si4- atoms to form PtSi4 tetrahedra that share corners with eight equivalent LaSi8 hexagonal bipyramids, corners with four equivalent PtSi4 tetrahedra, edges with four equivalent LaSi8 hexagonal bipyramids, and edges with four equivalentmore »« less
Materials Data on La(SbO3)3 by Materials Project

Dataset The Materials Project

La(SbO3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.44–2.72 Å. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 34–52°. There are a spread of Sb–O bond distances ranging from 1.95–2.04 Å. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form corner-sharing SbO6 octahedra.more »« less
Materials Data on La(C2N3)3 by Materials Project

Dataset The Materials Project

La(C2N3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine N3- atoms. There are a spread of La–N bond distances ranging from 2.57–3.03 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bondmore »« less
Materials Data on La(FeAs3)4 by Materials Project

Dataset The Materials Project

LaFe4As12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. La3+ is bonded to twelve equivalent As+1.25- atoms to form LaAs12 cuboctahedra that share faces with eight equivalent FeAs6 octahedra. All La–As bond lengths are 3.16 Å. Fe3+ is bonded to six equivalent As+1.25- atoms to form FeAs6 octahedra that share corners with six equivalent FeAs6 octahedra and faces with two equivalent LaAs12 cuboctahedra. The corner-sharing octahedral tilt angles are 56°. All Fe–As bond lengths are 2.37 Å. As+1.25- is bonded in a 2-coordinate geometry to one La3+, two equivalent Fe3+, and two equivalent As+1.25- atoms. There aremore »« less

Similar Records