Materials Data on KAl(H2N)4 by Materials Project

doi:10.17188/1284976

Title: Materials Data on KAl(H2N)4 by Materials Project

Dataset
Other Related Research

Abstract

KAl(NH2)4 crystallizes in the orthorhombic C222_1 space group. The structure is one-dimensional and consists of twelve hydrogen molecules and two KAl(N2H)2 ribbons oriented in the (0, 0, 1) direction. In each KAl(N2H)2 ribbon, K1+ is bonded in a distorted L-shaped geometry to two equivalent N3- atoms. Both K–N bond lengths are 3.04 Å. Al3+ is bonded in a tetrahedral geometry to two equivalent N3- and two equivalent H1+ atoms. Both Al–N bond lengths are 1.98 Å. Both Al–H bond lengths are 1.61 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 3-coordinate geometry to one K1+, one Al3+, and one N3- atom. The N–N bond length is 1.18 Å. In the second N3- site, N3- is bonded in a distorted single-bond geometry to one N3- atom. H1+ is bonded in a single-bond geometry to one Al3+ atom.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-696221

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; KAl(H2N)4; Al-H-K-N

OSTI Identifier:: 1284976

DOI:: https://doi.org/10.17188/1284976

Citation Formats


                    The Materials Project. Materials Data on KAl(H2N)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1284976.

Copy to clipboard


                    The Materials Project. Materials Data on KAl(H2N)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1284976

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on KAl(H2N)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1284976.  https://www.osti.gov/servlets/purl/1284976. Pub date:Mon Jul 20 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1284976,

  title        = {Materials Data on KAl(H2N)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KAl(NH2)4 crystallizes in the orthorhombic C222_1 space group. The structure is one-dimensional and consists of twelve hydrogen molecules and two KAl(N2H)2 ribbons oriented in the (0, 0, 1) direction. In each KAl(N2H)2 ribbon, K1+ is bonded in a distorted L-shaped geometry to two equivalent N3- atoms. Both K–N bond lengths are 3.04 Å. Al3+ is bonded in a tetrahedral geometry to two equivalent N3- and two equivalent H1+ atoms. Both Al–N bond lengths are 1.98 Å. Both Al–H bond lengths are 1.61 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 3-coordinate geometry to one K1+, one Al3+, and one N3- atom. The N–N bond length is 1.18 Å. In the second N3- site, N3- is bonded in a distorted single-bond geometry to one N3- atom. H1+ is bonded in a single-bond geometry to one Al3+ atom.},

  doi          = {10.17188/1284976},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1284976

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on KAl(PO3)4 by Materials Project

Dataset The Materials Project

KAl(PO3)4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.79–3.34 Å. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.87–1.93 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent AlO6 octahedra and corners with two PO4more »« less
Materials Data on RbAl(H2N)4 by Materials Project

Dataset The Materials Project

RbAl(NH)4(H2)2 crystallizes in the tetragonal P4/n space group. The structure is two-dimensional and consists of four hydrogen molecules and one RbAl(NH)4 sheet oriented in the (0, 0, 1) direction. In the RbAl(NH)4 sheet, Rb1+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Rb–N bond lengths are 3.21 Å. Al3+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Al–N bond lengths are 1.90 Å. N3- is bonded in a distorted water-like geometry to one Rb1+, one Al3+, and one H1+ atom. The N–H bond length is 1.04 Å. H1+ is bonded inmore »« less
Materials Data on ZnB8(H2N)4 by Materials Project

Dataset The Materials Project

ZnN4(BH)8 crystallizes in the tetragonal P4_2/nmc space group. The structure is zero-dimensional and consists of sixteen boranediylradical molecules and two ZnN4 clusters. In each ZnN4 cluster, Zn2+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Zn–N bond lengths are 2.02 Å. N3- is bonded in a single-bond geometry to one Zn2+ atom.
Materials Data on CsAl(H2N)4 by Materials Project

Dataset The Materials Project

CsAl(NH2)4 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to four equivalent N3- and eight H1+ atoms. All Cs–N bond lengths are 3.35 Å. There are four shorter (3.21 Å) and four longer (3.33 Å) Cs–H bond lengths. Al3+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Al–N bond lengths are 1.87 Å. N3- is bonded in a 3-coordinate geometry to one Cs1+, one Al3+, and two H1+ atoms. Both N–H bond lengths are 1.02 Å. There are two inequivalent H1+ sites. In the first H1+more »« less
Materials Data on K2Zn(H2N)4 by Materials Project

Dataset The Materials Project

K2Zn(NH2)4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six N3- and seven H1+ atoms. There are a spread of K–N bond distances ranging from 2.84–3.08 Å. There are a spread of K–H bond distances ranging from 2.73–3.10 Å. In the second K1+ site, K1+ is bonded in a 1-coordinate geometry to five N3- and two H1+ atoms. There are a spread of K–N bond distances ranging from 2.85–3.04 Å. There are one shorter (2.82 Å) and onemore »« less

Similar Records