Materials Data on LaF3 by Materials Project

doi:10.17188/1308049

Title: Materials Data on LaF3 by Materials Project

Dataset
Other Related Research

Abstract

LaF3 is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. La3+ is bonded in a 5-coordinate geometry to eleven F1- atoms. There are five shorter (2.42 Å) and six longer (2.73 Å) La–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent La3+ atoms. In the second F1- site, F1- is bonded in a trigonal planar geometry to three equivalent La3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-8354

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; LaF3; F-La

OSTI Identifier:: 1308049

DOI:: https://doi.org/10.17188/1308049

Citation Formats


                    The Materials Project. Materials Data on LaF3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1308049.

Copy to clipboard


                    The Materials Project. Materials Data on LaF3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1308049

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on LaF3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1308049.  https://www.osti.gov/servlets/purl/1308049. Pub date:Thu Jul 16 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1308049,

  title        = {Materials Data on LaF3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaF3 is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. La3+ is bonded in a 5-coordinate geometry to eleven F1- atoms. There are five shorter (2.42 Å) and six longer (2.73 Å) La–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent La3+ atoms. In the second F1- site, F1- is bonded in a trigonal planar geometry to three equivalent La3+ atoms.},

  doi          = {10.17188/1308049},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1308049

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on LaF3 by Materials Project

Dataset The Materials Project

LaF3 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. La3+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of La–F bond distances ranging from 2.42–2.87 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three equivalent La3+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent La3+ atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to three equivalent La3+ atoms. In the fourthmore »« less
Materials Data on LaF3 by Materials Project

Dataset The Materials Project

LaF3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La3+ is bonded to twelve F1- atoms to form LaF12 cuboctahedra that share corners with four equivalent LaF12 cuboctahedra, corners with eight equivalent FLa4F8 cuboctahedra, corners with sixteen equivalent FLa4F4 tetrahedra, edges with eight equivalent LaF12 cuboctahedra, edges with eight equivalent FLa4F4 tetrahedra, faces with four equivalent LaF12 cuboctahedra, and faces with six equivalent FLa4F8 cuboctahedra. There are eight shorter (2.56 Å) and four longer (2.75 Å) La–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1-more »« less
Materials Data on LaF3 by Materials Project

Dataset The Materials Project

LaF3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. La3+ is bonded in a distorted body-centered cubic geometry to fourteen F1- atoms. There are eight shorter (2.54 Å) and six longer (2.93 Å) La–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 6-coordinate geometry to six equivalent La3+ and eight equivalent F1- atoms. All F–F bond lengths are 2.54 Å. In the second F1- site, F1- is bonded to four equivalent La3+ and four equivalent F1- atoms to form a mixturemore »« less
Materials Data on LaF3 by Materials Project

Dataset The Materials Project

LaF3 crystallizes in the hexagonal P6_322 space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 4-coordinate geometry to twelve F1- atoms. There are a spread of La–F bond distances ranging from 2.39–2.98 Å. In the second La3+ site, La3+ is bonded in a 4-coordinate geometry to twelve F1- atoms. There are a spread of La–F bond distances ranging from 2.39–2.98 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded to six La3+ and six equivalent F1- atoms to form face-sharing FLa6F6more »« less
Materials Data on LaF3 by Materials Project

Dataset The Materials Project

LaF3 crystallizes in the orthorhombic Cmme space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to twelve F1- atoms to form a mixture of face, edge, and corner-sharing LaF12 cuboctahedra. There are a spread of La–F bond distances ranging from 2.53–2.79 Å. In the second La3+ site, La3+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of La–F bond distances ranging from 2.37–2.92 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded to four La3+ atoms tomore »« less

Similar Records