Materials Data on Be3N2 by Materials Project

doi:10.17188/1193064

Title: Materials Data on Be3N2 by Materials Project

Dataset
Other Related Research

Abstract

Be3N2 is Spinel-derived structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Be2+ is bonded to four N3- atoms to form a mixture of corner and edge-sharing BeN4 tetrahedra. There are a spread of Be–N bond distances ranging from 1.70–1.79 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to six equivalent Be2+ atoms to form a mixture of distorted corner and edge-sharing NBe6 octahedra. The corner-sharing octahedra tilt angles range from 59–60°. In the second N3- site, N3- is bonded to six equivalent Be2+ atoms to form a mixture of distorted corner and edge-sharing NBe6 octahedra. The corner-sharing octahedral tilt angles are 59°.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-18337

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; Be3N2; Be-N

OSTI Identifier:: 1193064

DOI:: https://doi.org/10.17188/1193064

Citation Formats


                    The Materials Project. Materials Data on Be3N2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1193064.

Copy to clipboard


                    The Materials Project. Materials Data on Be3N2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1193064

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Be3N2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1193064.  https://www.osti.gov/servlets/purl/1193064. Pub date:Wed Jul 22 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1193064,

  title        = {Materials Data on Be3N2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Be3N2 is Spinel-derived structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Be2+ is bonded to four N3- atoms to form a mixture of corner and edge-sharing BeN4 tetrahedra. There are a spread of Be–N bond distances ranging from 1.70–1.79 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to six equivalent Be2+ atoms to form a mixture of distorted corner and edge-sharing NBe6 octahedra. The corner-sharing octahedra tilt angles range from 59–60°. In the second N3- site, N3- is bonded to six equivalent Be2+ atoms to form a mixture of distorted corner and edge-sharing NBe6 octahedra. The corner-sharing octahedral tilt angles are 59°.},

  doi          = {10.17188/1193064},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1193064

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Be3N2 by Materials Project

Dataset The Materials Project

Be3N2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded to four N3- atoms to form a mixture of edge and corner-sharing BeN4 tetrahedra. There is one shorter (1.68 Å) and three longer (1.81 Å) Be–N bond length. In the second Be2+ site, Be2+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All Be–N bond lengths are 1.64 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to five Be2+ atoms to form corner-sharingmore »« less
Materials Data on Be3N2 by Materials Project

Dataset The Materials Project

Be3N2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded to six equivalent N3- atoms to form BeN6 octahedra that share corners with twelve equivalent BeN4 tetrahedra, edges with six equivalent BeN6 octahedra, and edges with six equivalent BeN4 tetrahedra. All Be–N bond lengths are 2.01 Å. In the second Be2+ site, Be2+ is bonded to four equivalent N3- atoms to form BeN4 tetrahedra that share corners with six equivalent BeN6 octahedra, corners with six equivalent BeN4 tetrahedra, edges with three equivalent BeN6 octahedra,more »« less
Materials Data on Be3N2 by Materials Project

Dataset The Materials Project

Be3N2 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are three inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded in a distorted trigonal planar geometry to four N3- atoms. There is three shorter (1.65 Å) and one longer (2.20 Å) Be–N bond length. In the second Be2+ site, Be2+ is bonded to four N3- atoms to form a mixture of edge and corner-sharing BeN4 tetrahedra. There is one shorter (1.66 Å) and three longer (1.85 Å) Be–N bond length. In the third Be2+ site, Be2+ is bonded to four N3- atoms to formmore »« less
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