Materials Data on Na4Ga3Si3B(HO3)4 by Materials Project

doi:10.17188/1263525

Title: Materials Data on Na4Ga3Si3B(HO3)4 by Materials Project

Dataset
Other Related Research

Abstract

Na4Ga3(SiO4)3BH4 crystallizes in the cubic P-43n space group. The structure is three-dimensional and consists of two BH4 clusters and one Na4Ga3(SiO4)3 framework. In each BH4 cluster, B3+ is bonded in a tetrahedral geometry to four equivalent H1+ atoms. All B–H bond lengths are 1.23 Å. H1+ is bonded in a single-bond geometry to one B3+ atom. In the Na4Ga3(SiO4)3 framework, Na1+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All Na–O bond lengths are 2.33 Å. Ga3+ is bonded to four equivalent O2- atoms to form GaO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. All Ga–O bond lengths are 1.85 Å. Si+1.33+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent GaO4 tetrahedra. All Si–O bond lengths are 1.65 Å. O2- is bonded in a distorted trigonal planar geometry to one Na1+, one Ga3+, and one Si+1.33+ atom.

Publication Date:: Thu Apr 30 04:00:00 UTC 2020

Other Number(s):: mp-534870

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; B-Ga-H-Na-O-Si; Na4Ga3Si3B(HO3)4; crystal structure

OSTI Identifier:: 1263525

DOI:: https://doi.org/10.17188/1263525

Citation Formats


                    Materials Data on Na4Ga3Si3B(HO3)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1263525.

Copy to clipboard


                    Materials Data on Na4Ga3Si3B(HO3)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1263525

Copy to clipboard


                    2020.  
"Materials Data on Na4Ga3Si3B(HO3)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1263525.  https://www.osti.gov/servlets/purl/1263525. Pub date:Thu Apr 30 04:00:00 UTC 2020

Copy to clipboard


                    
@article{osti_1263525,

  title        = {Materials Data on Na4Ga3Si3B(HO3)4 by Materials Project},

  
  abstractNote = {Na4Ga3(SiO4)3BH4 crystallizes in the cubic P-43n space group. The structure is three-dimensional and consists of two BH4 clusters and one Na4Ga3(SiO4)3 framework. In each BH4 cluster, B3+ is bonded in a tetrahedral geometry to four equivalent H1+ atoms. All B–H bond lengths are 1.23 Å. H1+ is bonded in a single-bond geometry to one B3+ atom. In the Na4Ga3(SiO4)3 framework, Na1+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All Na–O bond lengths are 2.33 Å. Ga3+ is bonded to four equivalent O2- atoms to form GaO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. All Ga–O bond lengths are 1.85 Å. Si+1.33+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent GaO4 tetrahedra. All Si–O bond lengths are 1.65 Å. O2- is bonded in a distorted trigonal planar geometry to one Na1+, one Ga3+, and one Si+1.33+ atom.},

  doi          = {10.17188/1263525},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 04:00:00 UTC 2020},

  month        = {Thu Apr 30 04:00:00 UTC 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1263525

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Rb3P3(HO3)4 by Materials Project

Dataset

Rb3P3H2O11H2O crystallizes in the triclinic P-1 space group. The structure is three-dimensional and consists of two water molecules and one Rb3P3H2O11 framework. In the Rb3P3H2O11 framework, there are three inequivalent Rb sites. In the first Rb site, Rb is bonded in a 1-coordinate geometry to one P, one H, and seven O atoms. The Rb–P bond length is 2.35 Å. The Rb–H bond length is 2.59 Å. There are a spread of Rb–O bond distances ranging from 2.26–3.35 Å. In the second Rb site, Rb is bonded in a 1-coordinate geometry to one O atom. The Rb–O bond length ismore »« less
Materials Data on Na2Al2Si3(HO3)4 by Materials Project

Dataset

Na2Al2Si3(HO3)4 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to two H1+ and four O2- atoms. There are one shorter (2.50 Å) and one longer (2.54 Å) Na–H bond lengths. There are a spread of Na–O bond distances ranging from 2.33–2.49 Å. Al3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Al–O bond distances ranging from 1.74–1.94 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There ismore »« less
Materials Data on Na4Al3Ge3B(HO3)4 by Materials Project

Dataset

Na4Al3(GeO4)3BH4 crystallizes in the cubic P-43n space group. The structure is three-dimensional and consists of two BH4 clusters and one Na4Al3(GeO4)3 framework. In each BH4 cluster, B3- is bonded in a tetrahedral geometry to four equivalent H1+ atoms. All B–H bond lengths are 1.23 Å. H1+ is bonded in a single-bond geometry to one B3- atom. In the Na4Al3(GeO4)3 framework, Na1+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All Na–O bond lengths are 2.35 Å. Al3+ is bonded to four equivalent O2- atoms to form AlO4 tetrahedra that share corners with four equivalent GeO4 tetrahedra. Allmore »« less
Materials Data on NaAl3P2(HO3)4 by Materials Project

Dataset

NaAl3P2(HO3)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.47–2.76 Å. There are three inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with three PO4 tetrahedra and edges with two AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.82–2.10 Å. In the second Al3+ site, Al3+ is bonded to six O2- atoms to form distorted AlO6 octahedra thatmore »« less
Materials Data on K2Zn3P4(HO3)4 by Materials Project

Dataset

K2Zn3P4(HO3)4 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 6-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.70–3.36 Å. In the second K1+ site, K1+ is bonded to seven O2- atoms to form distorted KO7 pentagonal bipyramids that share corners with three ZnO4 tetrahedra, corners with five PHO3 tetrahedra, an edgeedge with one KO7 pentagonal bipyramid, an edgeedge with one PHO3 tetrahedra, and edges with two equivalent ZnO4 tetrahedra. There are a spreadmore »« less

Similar Records