Materials Data on La(ReB)4 by Materials Project

doi:10.17188/1757519

Title: Materials Data on La(ReB)4 by Materials Project

Dataset
Other Related Research

Abstract

La(ReB)4 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to twelve equivalent Re and twelve equivalent B atoms. There are four shorter (3.11 Å) and eight longer (3.23 Å) La–Re bond lengths. There are eight shorter (3.09 Å) and four longer (3.27 Å) La–B bond lengths. Re is bonded in a 5-coordinate geometry to three equivalent La and five equivalent B atoms. There are a spread of Re–B bond distances ranging from 2.23–2.35 Å. B is bonded in a 6-coordinate geometry to three equivalent La, five equivalent Re, and one B atom. The B–B bond length is 1.85 Å.

Authors:: The Materials Project

Publication Date:: Thu Sep 03 00:00:00 EDT 2020

Other Number(s):: mp-1106361

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; La(ReB)4; B-La-Re

OSTI Identifier:: 1757519

DOI:: https://doi.org/10.17188/1757519

Citation Formats


                    The Materials Project. Materials Data on La(ReB)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1757519.

Copy to clipboard


                    The Materials Project. Materials Data on La(ReB)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1757519

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on La(ReB)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1757519.  https://www.osti.gov/servlets/purl/1757519. Pub date:Thu Sep 03 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1757519,

  title        = {Materials Data on La(ReB)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La(ReB)4 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to twelve equivalent Re and twelve equivalent B atoms. There are four shorter (3.11 Å) and eight longer (3.23 Å) La–Re bond lengths. There are eight shorter (3.09 Å) and four longer (3.27 Å) La–B bond lengths. Re is bonded in a 5-coordinate geometry to three equivalent La and five equivalent B atoms. There are a spread of Re–B bond distances ranging from 2.23–2.35 Å. B is bonded in a 6-coordinate geometry to three equivalent La, five equivalent Re, and one B atom. The B–B bond length is 1.85 Å.},

  doi          = {10.17188/1757519},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Sep 03 00:00:00 EDT 2020},

  month        = {Thu Sep 03 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1757519

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Y(ReB)4 by Materials Project

Dataset The Materials Project

Y(ReB)4 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to twelve equivalent Re and twelve equivalent B atoms. There are four shorter (3.08 Å) and eight longer (3.19 Å) Y–Re bond lengths. There are eight shorter (3.04 Å) and four longer (3.29 Å) Y–B bond lengths. Re is bonded in a 5-coordinate geometry to three equivalent Y and five equivalent B atoms. There are three shorter (2.22 Å) and two longer (2.34 Å) Re–B bond lengths. B is bonded in a 6-coordinate geometry to three equivalent Y, five equivalent Re,more »« less
Materials Data on Co3(ReB)4 by Materials Project

Dataset The Materials Project

Co3(ReB)4 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Re is bonded in a 5-coordinate geometry to five B atoms. There are a spread of Re–B bond distances ranging from 2.30–2.39 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 4-coordinate geometry to four equivalent B atoms. All Co–B bond lengths are 2.23 Å. In the second Co site, Co is bonded in a square co-planar geometry to four equivalent B atoms. All Co–B bond lengths are 2.11 Å. There are two inequivalent B sites. In the first Bmore »« less
Materials Data on ReB by Materials Project

Dataset The Materials Project

ReB crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Re3+ is bonded in a 5-coordinate geometry to five equivalent B3- atoms. There are a spread of Re–B bond distances ranging from 2.17–2.27 Å. B3- is bonded in a 6-coordinate geometry to five equivalent Re3+ and one B3- atom. The B–B bond length is 1.78 Å.
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
Materials Data on La(FeSb3)4 by Materials Project

Dataset The Materials Project

LaFe4Sb12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. La3+ is bonded to twelve equivalent Sb+1.25- atoms to form LaSb12 cuboctahedra that share faces with eight equivalent FeSb6 octahedra. All La–Sb bond lengths are 3.42 Å. Fe3+ is bonded to six equivalent Sb+1.25- atoms to form FeSb6 octahedra that share corners with six equivalent FeSb6 octahedra and faces with two equivalent LaSb12 cuboctahedra. The corner-sharing octahedral tilt angles are 52°. All Fe–Sb bond lengths are 2.55 Å. Sb+1.25- is bonded in a 2-coordinate geometry to one La3+, two equivalent Fe3+, and two equivalent Sb+1.25- atoms. There aremore »« less

Similar Records