Materials Data on YbH18(BrO6)3 by Materials Project

doi:10.17188/1734019

Title: Materials Data on YbH18(BrO6)3 by Materials Project

Dataset
Other Related Research

Abstract

Yb(H2O)9(BrO3)3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of twelve hypobromous acid;dihydrate molecules and four Yb(H2O)9 clusters. In each Yb(H2O)9 cluster, Yb3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Yb–O bond distances ranging from 2.44–2.52 Å. There are nine inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the seventh H1+ site, H1+more »« less

Authors:: The Materials Project

Publication Date:: Sat Jan 12 00:00:00 EST 2019

Other Number(s):: mp-1216487

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; YbH18(BrO6)3; Br-H-O-Yb

OSTI Identifier:: 1734019

DOI:: https://doi.org/10.17188/1734019

Citation Formats


                    The Materials Project. Materials Data on YbH18(BrO6)3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1734019.

Copy to clipboard


                    The Materials Project. Materials Data on YbH18(BrO6)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1734019

Copy to clipboard


                    The Materials Project. 2019.  
"Materials Data on YbH18(BrO6)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1734019.  https://www.osti.gov/servlets/purl/1734019. Pub date:Sat Jan 12 00:00:00 EST 2019

Copy to clipboard


                    
@article{osti_1734019,

  title        = {Materials Data on YbH18(BrO6)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Yb(H2O)9(BrO3)3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of twelve hypobromous acid;dihydrate molecules and four Yb(H2O)9 clusters. In each Yb(H2O)9 cluster, Yb3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Yb–O bond distances ranging from 2.44–2.52 Å. There are nine inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one Yb3+ and two equivalent H1+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to one Yb3+ and two H1+ atoms. In the third O2- site, O2- is bonded in a water-like geometry to one Yb3+ and two equivalent H1+ atoms. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to one Yb3+ and two H1+ atoms. In the fifth O2- site, O2- is bonded in a distorted water-like geometry to one Yb3+ and two equivalent H1+ atoms. In the sixth O2- site, O2- is bonded in a water-like geometry to one Yb3+ and two H1+ atoms.},

  doi          = {10.17188/1734019},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jan 12 00:00:00 EST 2019},

  month        = {Sat Jan 12 00:00:00 EST 2019}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1734019

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on AlH18(BrO6)3 by Materials Project

Dataset The Materials Project

(H2)2(AlH8O7Br)2(HO2)4(H2O)4H2O2(HO2Br)2(O2)2(Br)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two hydrobromic acid molecules, two hydrogen molecules, two hydrogen peroxide molecules, two hydroxyperoxide molecules, two hypobromous acid;hydrate molecules, four water molecules, two water molecules, and two AlH8O7Br clusters. In each AlH8O7Br cluster, Al3+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of Al–O bond distances ranging from 1.74–1.99 Å. There are eight inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. Inmore »« less
Materials Data on La7(BrO6)3 by Materials Project

Dataset The Materials Project

La7O18(Br)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional and consists of six hydrobromic acid molecules and one La7O18 framework. In the La7O18 framework, there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.39–2.51 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.47–2.80 Å. In the third La3+ site, La3+ is bonded in a 9-coordinatemore »« less
Materials Data on Ho(BrO6)3 by Materials Project

Dataset The Materials Project

HoO17Br2BrO crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of four hypobromous acid molecules and four HoO17Br2 clusters. In each HoO17Br2 cluster, Ho is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Ho–O bond distances ranging from 2.22–2.84 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two equivalent O atoms. Both O–O bond lengths are 1.34 Å. In the second O site, O is bonded in a single-bond geometry to one Ho atom. In the third Omore »« less
Materials Data on Nd(BrO6)3 by Materials Project

Dataset The Materials Project

Nd(O6Br)3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of four Nd(O6Br)3 clusters. Nd is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of Nd–O bond distances ranging from 2.38–3.13 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Nd and one Br atom. The O–Br bond length is 1.72 Å. In the second O site, O is bonded in a water-like geometry to one Nd and one Br atom. The O–Br bond length is 1.72 Å. Inmore »« less
Materials Data on Gd7(BrO6)3 by Materials Project

Dataset The Materials Project

Gd7O18(Br)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional and consists of six hydrobromic acid molecules and one Gd7O18 framework. In the Gd7O18 framework, there are three inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Gd–O bond distances ranging from 2.25–2.43 Å. In the second Gd3+ site, Gd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Gd–O bond distances ranging from 2.30–2.46 Å. In the third Gd3+ site, Gd3+ is bonded in a 9-coordinatemore »« less

Similar Records