Materials Data on Sr3(BN2)2 by Materials Project

doi:10.17188/1732998

Title: Materials Data on Sr3(BN2)2 by Materials Project

Dataset
Other Related Research

Abstract

Sr3(BN2)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 4-coordinate geometry to six N3- atoms. There are a spread of Sr–N bond distances ranging from 2.47–3.05 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Sr–N bond distances ranging from 2.58–3.06 Å. B3+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of B–N bond distances ranging from 1.42–1.55 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to five Sr2+ and two equivalent B3+ atoms. In the second N3- site, N3- is bonded in a 1-coordinate geometry to four Sr2+ and one B3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1029510

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; Sr3(BN2)2; B-N-Sr

OSTI Identifier:: 1732998

DOI:: https://doi.org/10.17188/1732998

Citation Formats


                    The Materials Project. Materials Data on Sr3(BN2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1732998.

Copy to clipboard


                    The Materials Project. Materials Data on Sr3(BN2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1732998

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Sr3(BN2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1732998.  https://www.osti.gov/servlets/purl/1732998. Pub date:Sat May 02 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1732998,

  title        = {Materials Data on Sr3(BN2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr3(BN2)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 4-coordinate geometry to six N3- atoms. There are a spread of Sr–N bond distances ranging from 2.47–3.05 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Sr–N bond distances ranging from 2.58–3.06 Å. B3+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of B–N bond distances ranging from 1.42–1.55 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to five Sr2+ and two equivalent B3+ atoms. In the second N3- site, N3- is bonded in a 1-coordinate geometry to four Sr2+ and one B3+ atom.},

  doi          = {10.17188/1732998},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1732998

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Sr3(BN2)2 by Materials Project

Dataset The Materials Project

Sr3(BN2)2 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six N3- atoms to form a mixture of edge, corner, and face-sharing SrN6 octahedra. The corner-sharing octahedra tilt angles range from 19–30°. There are three shorter (2.66 Å) and three longer (2.90 Å) Sr–N bond lengths. In the second Sr2+ site, Sr2+ is bonded to six equivalent N3- atoms to form face-sharing SrN6 octahedra. All Sr–N bond lengths are 2.50 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+more »« less
Materials Data on Ce3(BN2)2 by Materials Project

Dataset The Materials Project

Ce3(BN2)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded to six equivalent N3- atoms to form distorted edge-sharing CeN6 pentagonal pyramids. There are two shorter (2.42 Å) and four longer (2.52 Å) Ce–N bond lengths. In the second Ce4+ site, Ce4+ is bonded in a body-centered cubic geometry to eight equivalent N3- atoms. All Ce–N bond lengths are 2.64 Å. B is bonded in a bent 120 degrees geometry to two equivalent N3- atoms. Both B–N bond lengths are 1.49 Å. N3- ismore »« less
Materials Data on Ba3(BN2)2 by Materials Project

Dataset The Materials Project

Ba3(BN2)2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are three inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 4-coordinate geometry to six N3- atoms. There are a spread of Ba–N bond distances ranging from 2.75–3.25 Å. In the second Ba2+ site, Ba2+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Ba–N bond distances ranging from 2.74–3.09 Å. In the third Ba2+ site, Ba2+ is bonded to six N3- atoms to form edge-sharing BaN6 octahedra. There are a spread of Ba–N bond distances rangingmore »« less
Materials Data on Pr3(BN2)2 by Materials Project

Dataset The Materials Project

Pr3B2N4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Pr4+ sites. In the first Pr4+ site, Pr4+ is bonded to six equivalent N3- atoms to form distorted edge-sharing PrN6 pentagonal pyramids. There are two shorter (2.51 Å) and four longer (2.59 Å) Pr–N bond lengths. In the second Pr4+ site, Pr4+ is bonded in a body-centered cubic geometry to eight equivalent N3- atoms. All Pr–N bond lengths are 2.71 Å. B is bonded in a bent 120 degrees geometry to two equivalent N3- atoms. Both B–N bond lengths are 1.48 Å. N3- ismore »« less
Materials Data on Nd3(BN2)2 by Materials Project

Dataset The Materials Project

Nd3(BN2)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Nd2+ sites. In the first Nd2+ site, Nd2+ is bonded to six equivalent N3- atoms to form distorted edge-sharing NdN6 pentagonal pyramids. There are two shorter (2.48 Å) and four longer (2.57 Å) Nd–N bond lengths. In the second Nd2+ site, Nd2+ is bonded in a body-centered cubic geometry to eight equivalent N3- atoms. All Nd–N bond lengths are 2.68 Å. B3+ is bonded in a bent 120 degrees geometry to two equivalent N3- atoms. Both B–N bond lengths are 1.48 Å. N3- ismore »« less

Similar Records