Materials Data on YOF by Materials Project

doi:10.17188/1186821

Title: Materials Data on YOF by Materials Project

Dataset
Other Related Research

Abstract

YOF crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Y3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Y–O bond lengths are 2.26 Å. All Y–F bond lengths are 2.51 Å. O2- is bonded to four equivalent Y3+ atoms to form distorted OY4 tetrahedra that share corners with four equivalent OY4 tetrahedra, corners with twelve equivalent FY4 tetrahedra, edges with two equivalent FY4 tetrahedra, and edges with four equivalent OY4 tetrahedra. F1- is bonded to four equivalent Y3+ atoms to form distorted FY4 tetrahedra that share corners with four equivalent FY4 tetrahedra, corners with twelve equivalent OY4 tetrahedra, edges with two equivalent OY4 tetrahedra, and edges with four equivalent FY4 tetrahedra.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-10219

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; YOF; F-O-Y

OSTI Identifier:: 1186821

DOI:: https://doi.org/10.17188/1186821

Citation Formats


                    The Materials Project. Materials Data on YOF by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1186821.

Copy to clipboard


                    The Materials Project. Materials Data on YOF by Materials Project.  United States.  doi:https://doi.org/10.17188/1186821

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on YOF by Materials Project".  United States.  doi:https://doi.org/10.17188/1186821.  https://www.osti.gov/servlets/purl/1186821. Pub date:Thu Jul 16 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1186821,

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

  author       = {The Materials Project},

  abstractNote = {YOF crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Y3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Y–O bond lengths are 2.26 Å. All Y–F bond lengths are 2.51 Å. O2- is bonded to four equivalent Y3+ atoms to form distorted OY4 tetrahedra that share corners with four equivalent OY4 tetrahedra, corners with twelve equivalent FY4 tetrahedra, edges with two equivalent FY4 tetrahedra, and edges with four equivalent OY4 tetrahedra. F1- is bonded to four equivalent Y3+ atoms to form distorted FY4 tetrahedra that share corners with four equivalent FY4 tetrahedra, corners with twelve equivalent OY4 tetrahedra, edges with two equivalent OY4 tetrahedra, and edges with four equivalent FY4 tetrahedra.},

  doi          = {10.17188/1186821},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1186821

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on YOF by Materials Project

Dataset The Materials Project

YOF crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. There are three shorter (2.28 Å) and one longer (2.29 Å) Y–O bond lengths. There are three shorter (2.46 Å) and one longer (2.47 Å) Y–F bond lengths. O2- is bonded to four equivalent Y3+ atoms to form distorted OY4 tetrahedra that share corners with six equivalent OY4 tetrahedra, corners with ten equivalent FY4 tetrahedra, edges with three equivalent OY4 tetrahedra, and edges with three equivalent FY4 tetrahedra. F1- is bondedmore »« less
Materials Data on YOF by Materials Project

Dataset The Materials Project

YOF is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Y3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Y–O bond lengths are 2.36 Å. All Y–F bond lengths are 2.36 Å. O2- is bonded to four equivalent Y3+ atoms to form OY4 tetrahedra that share corners with four equivalent FY4 tetrahedra, corners with twelve equivalent OY4 tetrahedra, and edges with six equivalent FY4 tetrahedra. F1- is bonded to four equivalent Y3+ atoms to form FY4 tetrahedra that share corners with four equivalent OY4 tetrahedra,more »« less
Materials Data on YOF by Materials Project

Dataset The Materials Project

YOF crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to four equivalent O2- and four equivalent F1- atoms. There are a spread of Y–O bond distances ranging from 2.10–2.42 Å. There are a spread of Y–F bond distances ranging from 2.28–2.65 Å. O2- is bonded in a 4-coordinate geometry to four equivalent Y3+ and three equivalent F1- atoms. There are one shorter (2.43 Å) and two longer (2.59 Å) O–F bond lengths. F1- is bonded in a 3-coordinate geometry to four equivalent Y3+ and three equivalent O2- atoms.
Materials Data on LiMg9B20 by Materials Project

Dataset The Materials Project

LiMg9B20 is hexagonal omega structure-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li is bonded to twelve B atoms to form LiB12 cuboctahedra that share edges with twelve MgB12 cuboctahedra and faces with eight MgB12 cuboctahedra. There are a spread of Li–B bond distances ranging from 2.48–2.50 Å. There are five inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve B atoms to form MgB12 cuboctahedra that share edges with twelve MgB12 cuboctahedra, faces with two equivalent LiB12 cuboctahedra, and faces with six MgB12 cuboctahedra. There are a spread ofmore »« less
Materials Data on Y(CoB)2 by Materials Project

Dataset The Materials Project

YCo2B2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y3+ is bonded in a body-centered cubic geometry to eight equivalent B3- atoms. All Y–B bond lengths are 2.89 Å. Co+1.50+ is bonded to four equivalent B3- atoms to form a mixture of distorted edge and corner-sharing CoB4 tetrahedra. All Co–B bond lengths are 2.00 Å. B3- is bonded in a 4-coordinate geometry to four equivalent Y3+ and four equivalent Co+1.50+ atoms.

Similar Records