Materials Data on Al(CN)3 by Materials Project

doi:10.17188/1206983

Title: Materials Data on Al(CN)3 by Materials Project

Dataset
Other Related Research

Abstract

Al(CN)3 is Modderite-derived structured and crystallizes in the tetragonal P-42_1m space group. The structure is zero-dimensional and consists of two Al(CN)3 clusters. Al3+ is bonded in a T-shaped geometry to three N3- atoms. There is one shorter (1.96 Å) and two longer (1.97 Å) Al–N bond length. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.16 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to one Al3+ and one C2+ atom. In the second N3- site, N3- is bonded in a linear geometry to one Al3+ and one C2+ atom.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-35327

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; Al(CN)3; Al-C-N

OSTI Identifier:: 1206983

DOI:: https://doi.org/10.17188/1206983

Citation Formats


                    The Materials Project. Materials Data on Al(CN)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1206983.

Copy to clipboard


                    The Materials Project. Materials Data on Al(CN)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1206983

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Al(CN)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1206983.  https://www.osti.gov/servlets/purl/1206983. Pub date:Sat Jul 18 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1206983,

  title        = {Materials Data on Al(CN)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Al(CN)3 is Modderite-derived structured and crystallizes in the tetragonal P-42_1m space group. The structure is zero-dimensional and consists of two Al(CN)3 clusters. Al3+ is bonded in a T-shaped geometry to three N3- atoms. There is one shorter (1.96 Å) and two longer (1.97 Å) Al–N bond length. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.16 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to one Al3+ and one C2+ atom. In the second N3- site, N3- is bonded in a linear geometry to one Al3+ and one C2+ atom.},

  doi          = {10.17188/1206983},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1206983

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Al(CN)3 by Materials Project

Dataset The Materials Project

Al(CN)3 is alpha Po structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three Al(CN)3 clusters. Al3+ is bonded in a distorted T-shaped geometry to three equivalent N3- atoms. All Al–N bond lengths are 1.97 Å. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a linear geometry to one Al3+ and one C2+ atom.
Materials Data on P(CN)3 by Materials Project

Dataset The Materials Project

(CN)3P crystallizes in the tetragonal I-42d space group. The structure is zero-dimensional and consists of forty-eight hydrogen cyanide molecules and sixteen phosphine molecules.
Materials Data on As(CN)3 by Materials Project

Dataset The Materials Project

As(CN)3 crystallizes in the monoclinic C2 space group. The structure is zero-dimensional and consists of four arsenic cyanide molecules. there are three inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to one As3- and one N3- atom. The C–As bond length is 1.98 Å. The C–N bond length is 1.16 Å. In the second C4+ site, C4+ is bonded in a linear geometry to one As3- and one N3- atom. The C–As bond length is 1.97 Å. The C–N bond length is 1.17 Å. In the third C4+ site, C4+ is bonded inmore »« less
Materials Data on As(CN)3 by Materials Project

Dataset The Materials Project

As(CN)3 crystallizes in the monoclinic C2 space group. The structure is zero-dimensional and consists of four arsenic cyanide molecules. there are three inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted linear geometry to one As3- and one N3- atom. The C–As bond length is 1.95 Å. The C–N bond length is 1.17 Å. In the second C4+ site, C4+ is bonded in a linear geometry to one As3- and one N3- atom. The C–As bond length is 1.93 Å. The C–N bond length is 1.17 Å. In the third C4+ site, C4+ is bondedmore »« less
Materials Data on Al7(CN)3 by Materials Project

Dataset The Materials Project

Al7C3N3 is Aluminum carbonitride-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are seven inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to one C4- and three equivalent N3- atoms to form AlCN3 tetrahedra that share corners with twelve AlCN3 tetrahedra and a cornercorner with one AlC4 trigonal pyramid. The Al–C bond length is 1.93 Å. All Al–N bond lengths are 2.01 Å. In the second Al3+ site, Al3+ is bonded to four N3- atoms to form corner-sharing AlN4 tetrahedra. There is one shorter (1.85 Å) and three longer (1.99 Å)more »« less

Similar Records