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.

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-534870

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; Na4Ga3Si3B(HO3)4; B-Ga-H-Na-O-Si

OSTI Identifier:: 1263525

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

Citation Formats


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

Copy to clipboard


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

Copy to clipboard


                    The Materials Project. 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 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1263525,

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

  author       = {The 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 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 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 Ho3(CuGe)4 by Materials Project

Dataset The Materials Project

Ho3(CuGe)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to six equivalent Cu and six Ge atoms. There are four shorter (2.99 Å) and two longer (3.06 Å) Ho–Cu bond lengths. There are two shorter (2.98 Å) and four longer (3.04 Å) Ho–Ge bond lengths. In the second Ho site, Ho is bonded to six Ge atoms to form distorted edge-sharing HoGe6 octahedra. There are four shorter (2.93 Å) and two longer (3.01 Å) Ho–Ge bond lengths. Cu ismore »« less
Materials Data on Ho3(GePd)4 by Materials Project

Dataset The Materials Project

Ho3Pd4Ge4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to six equivalent Pd and six Ge atoms. There are four shorter (3.06 Å) and two longer (3.12 Å) Ho–Pd bond lengths. There are two shorter (3.03 Å) and four longer (3.04 Å) Ho–Ge bond lengths. In the second Ho site, Ho is bonded to six Ge atoms to form distorted edge-sharing HoGe6 octahedra. All Ho–Ge bond lengths are 3.04 Å. Pd is bonded in a 12-coordinate geometry to threemore »« less
Materials Data on Ho3(CuSi)4 by Materials Project

Dataset The Materials Project

Ho3Cu4Si4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 6-coordinate geometry to six Si4- atoms. There are two shorter (2.94 Å) and four longer (2.97 Å) Ho–Si bond lengths. In the second Ho3+ site, Ho3+ is bonded to six Si4- atoms to form edge-sharing HoSi6 octahedra. There are four shorter (2.91 Å) and two longer (2.95 Å) Ho–Si bond lengths. Cu+1.75+ is bonded in a 4-coordinate geometry to one Cu+1.75+ and four Si4- atoms. The Cu–Cu bond length is 2.50 Å.more »« less
Materials Data on Rb3P3(HO3)4 by Materials Project

Dataset The Materials Project

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 Ho3(AgSn)4 by Materials Project

Dataset The Materials Project

Ho3(AgSn)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to six equivalent Ag and six Sn atoms. There are four shorter (3.27 Å) and two longer (3.41 Å) Ho–Ag bond lengths. All Ho–Sn bond lengths are 3.33 Å. In the second Ho site, Ho is bonded to eight equivalent Ag and six Sn atoms to form distorted face-sharing HoAg8Sn6 octahedra. All Ho–Ag bond lengths are 3.78 Å. There are four shorter (3.20 Å) and two longer (3.29 Å) Ho–Snmore »« less

Similar Records