Materials Data on La2Mg3H48(NO5)12 by Materials Project

doi:10.17188/1286186

Title: Materials Data on La2Mg3H48(NO5)12 by Materials Project

Dataset
Other Related Research

Abstract

(Mg(H2O)6)3(La(NO3)6)2(H2O)6 is Brookite-derived structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of nine magnesium;hexahydrate molecules, eighteen water molecules, and six La(NO3)6 clusters. In each La(NO3)6 cluster, La is bonded in a cuboctahedral geometry to twelve O atoms. There are a spread of La–O bond distances ranging from 2.67–2.71 Å. There are two inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.24 Å) and two longer (1.28 Å) N–O bond length. In the second N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.24–1.29 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one La and one N atom. In the second O site, O is bonded in a distorted single-bond geometry to one La and one N atom. In the third O site, O is bonded in a single-bond geometry to one N atom. In the fourth O site, O is bonded in a distorted single-bond geometry to one Lamore »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-706447

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; La2Mg3H48(NO5)12; H-La-Mg-N-O

OSTI Identifier:: 1286186

DOI:: https://doi.org/10.17188/1286186

Citation Formats


                    The Materials Project. Materials Data on La2Mg3H48(NO5)12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1286186.

Copy to clipboard


                    The Materials Project. Materials Data on La2Mg3H48(NO5)12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1286186

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on La2Mg3H48(NO5)12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1286186.  https://www.osti.gov/servlets/purl/1286186. Pub date:Wed Apr 29 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1286186,

  title        = {Materials Data on La2Mg3H48(NO5)12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(Mg(H2O)6)3(La(NO3)6)2(H2O)6 is Brookite-derived structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of nine magnesium;hexahydrate molecules, eighteen water molecules, and six La(NO3)6 clusters. In each La(NO3)6 cluster, La is bonded in a cuboctahedral geometry to twelve O atoms. There are a spread of La–O bond distances ranging from 2.67–2.71 Å. There are two inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.24 Å) and two longer (1.28 Å) N–O bond length. In the second N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.24–1.29 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one La and one N atom. In the second O site, O is bonded in a distorted single-bond geometry to one La and one N atom. In the third O site, O is bonded in a single-bond geometry to one N atom. In the fourth O site, O is bonded in a distorted single-bond geometry to one La and one N atom. In the fifth O site, O is bonded in a distorted single-bond geometry to one La and one N atom. In the sixth O site, O is bonded in a single-bond geometry to one N atom.},

  doi          = {10.17188/1286186},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1286186

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on ZnH8(NO5)2 by Materials Project

Dataset The Materials Project

ZnH8(NO5)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ZnH8(NO5)2 clusters. Zn2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 2.08–2.21 Å. There are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.24–1.30 Å. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.25 Å) andmore »« less
Materials Data on Cr3H24C8(NO5)2 by Materials Project

Dataset The Materials Project

Cr3O10(N(CH3)4)2 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight tetramethylammonium molecules and four Cr3O10 clusters. In each Cr3O10 cluster, there are three inequivalent Cr3+ sites. In the first Cr3+ site, Cr3+ is bonded to four O2- atoms to form corner-sharing CrO4 tetrahedra. There is three shorter (1.63 Å) and one longer (1.83 Å) Cr–O bond length. In the second Cr3+ site, Cr3+ is bonded to four O2- atoms to form corner-sharing CrO4 tetrahedra. There are a spread of Cr–O bond distances ranging from 1.60–1.75 Å. In the thirdmore »« less
Materials Data on SmH12(NO5)3 by Materials Project

Dataset The Materials Project

SmN3H8O13(H2O)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four water molecules and one SmN3H8O13 cluster. In the SmN3H8O13 cluster, Sm3+ is bonded in a 2-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.14–2.85 Å. There are three inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.26–1.28 Å. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2-more »« less
Materials Data on NaP3H10(NO5)2 by Materials Project

Dataset The Materials Project

Na(PO3)3(NH4)2H2O crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of eight ammonium molecules, four water molecules, and one Na(PO3)3 framework. In the Na(PO3)3 framework, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.31–2.52 Å. There are three 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 NaO6 octahedra and corners with two PO4 tetrahedra. The corner-sharing octahedra tilt anglesmore »« less
Materials Data on SmH8(NO5)3 by Materials Project

Dataset The Materials Project

SmH4(NO4)2NO3(H2O)2O2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two nitric acid molecules, four water molecules, four water molecules, and two SmH4(NO4)2 clusters. In each SmH4(NO4)2 cluster, Sm is bonded in a 2-coordinate geometry to four O atoms. There are a spread of Sm–O bond distances ranging from 2.01–2.39 Å. There are two inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.08–1.30 Å. In the second N site, N is bonded inmore »« less

Similar Records