Materials Data on KH by Materials Project

doi:10.17188/1199900

Title: Materials Data on KH by Materials Project

Dataset
Other Related Research

Abstract

HK1 is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent H1- atoms to form a mixture of corner and edge-sharing KH6 octahedra. The corner-sharing octahedral tilt angles are 0°. All K–H bond lengths are 2.85 Å. H1- is bonded to six equivalent K1+ atoms to form a mixture of corner and edge-sharing HK6 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-24084

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; KH; H-K

OSTI Identifier:: 1199900

DOI:: https://doi.org/10.17188/1199900

Citation Formats


                    The Materials Project. Materials Data on KH by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199900.

Copy to clipboard


                    The Materials Project. Materials Data on KH by Materials Project.  United States.  doi:https://doi.org/10.17188/1199900

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on KH by Materials Project".  United States.  doi:https://doi.org/10.17188/1199900.  https://www.osti.gov/servlets/purl/1199900. Pub date:Tue Jul 14 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1199900,

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

  author       = {The Materials Project},

  abstractNote = {HK1 is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent H1- atoms to form a mixture of corner and edge-sharing KH6 octahedra. The corner-sharing octahedral tilt angles are 0°. All K–H bond lengths are 2.85 Å. H1- is bonded to six equivalent K1+ atoms to form a mixture of corner and edge-sharing HK6 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1199900},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1199900

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on KHS by Materials Project

Dataset The Materials Project

SKH1 crystallizes in the trigonal R3m space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to three equivalent H1+ and six equivalent S2- atoms. All K–H bond lengths are 2.91 Å. There are three shorter (3.30 Å) and three longer (3.35 Å) K–S bond lengths. H1+ is bonded in a distorted single-bond geometry to three equivalent K1+ and one S2- atom. The H–S bond length is 1.35 Å. S2- is bonded in a single-bond geometry to six equivalent K1+ and one H1+ atom.
Materials Data on KH(IO3)2 by Materials Project

Dataset The Materials Project

KH(IO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.83–3.03 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to one H1+ and eight O2- atoms. The K–H bond length is 2.87 Å. There are a spread of K–O bond distances ranging from 2.73–3.09 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in amore »« less
Materials Data on KHS by Materials Project

Dataset The Materials Project

SKH1 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to three equivalent H1+ and six equivalent S2- atoms. There are two shorter (2.99 Å) and one longer (3.00 Å) K–H bond lengths. There are a spread of K–S bond distances ranging from 3.28–3.40 Å. H1+ is bonded in a single-bond geometry to three equivalent K1+ and one S2- atom. The H–S bond length is 1.35 Å. S2- is bonded in a distorted single-bond geometry to six equivalent K1+ and one H1+ atom.
Materials Data on KH(IO3)2 by Materials Project

Dataset The Materials Project

KH(IO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.76–3.21 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two equivalent O2- atoms. Both H–O bond lengths are 1.22 Å. In the second H1+ site, H1+ is bonded in a linear geometry to two equivalent O2- atoms. Both H–O bond lengths are 1.22 Å. There are six inequivalent O2- sites. In the first O2- site,more »« less
Materials Data on KH(IO3)2 by Materials Project

Dataset The Materials Project

KH(IO3)2 crystallizes in the orthorhombic Pca2_1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.72–3.17 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.81–3.39 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shortermore »« less

Similar Records