Materials Data on Mg(IO8)2 by Materials Project

doi:10.17188/1694501

Title: Materials Data on Mg(IO8)2 by Materials Project

Dataset
Other Related Research

Abstract

MgO6(O5I)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two magnesium;dihydroxide;tetrahydrate molecules and two O5I clusters. In each O5I cluster, there are five inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.90 Å. In the second O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.93 Å. In the third O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.87 Å. In the fourth O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.86 Å. In the fifth O site, O is bonded in a water-like geometry to two equivalent I atoms. There are one shorter (2.00 Å) and one longer (2.01 Å) O–I bond lengths. I is bonded to six O atoms to form edge-sharing IO6 octahedra.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1197251

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; Mg(IO8)2; I-Mg-O

OSTI Identifier:: 1694501

DOI:: https://doi.org/10.17188/1694501

Citation Formats


                    The Materials Project. Materials Data on Mg(IO8)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1694501.

Copy to clipboard


                    The Materials Project. Materials Data on Mg(IO8)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1694501

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Mg(IO8)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1694501.  https://www.osti.gov/servlets/purl/1694501. Pub date:Sat May 02 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1694501,

  title        = {Materials Data on Mg(IO8)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgO6(O5I)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two magnesium;dihydroxide;tetrahydrate molecules and two O5I clusters. In each O5I cluster, there are five inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.90 Å. In the second O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.93 Å. In the third O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.87 Å. In the fourth O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.86 Å. In the fifth O site, O is bonded in a water-like geometry to two equivalent I atoms. There are one shorter (2.00 Å) and one longer (2.01 Å) O–I bond lengths. I is bonded to six O atoms to form edge-sharing IO6 octahedra.},

  doi          = {10.17188/1694501},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1694501

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Mg(IO8)2 by Materials Project

Dataset The Materials Project

Mg(O6I)2(O2)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four hydrogen peroxide molecules and two Mg(O6I)2 clusters. In each Mg(O6I)2 cluster, Mg is bonded in a square co-planar geometry to four O atoms. There are two shorter (1.89 Å) and two longer (2.30 Å) Mg–O bond lengths. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.23 Å. In the second O site, O is bonded in a single-bond geometry to one I atom. The O–Imore »« less
Materials Data on CuH16(IO8)2 by Materials Project

Dataset The Materials Project

CuH16(O8I)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cu is bonded in an octahedral geometry to six O atoms. There are a spread of Cu–O bond distances ranging from 1.98–2.39 Å. There are eight inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.71 Å) H–O bond length. In the second H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.01 Å. In the third H site, Hmore »« less
Materials Data on MgH16(IO8)2 by Materials Project

Dataset The Materials Project

MgH16(O8I)2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two MgH16(O8I)2 ribbons oriented in the (-1, 1, 0) direction. Mg is bonded in an octahedral geometry to six O atoms. There are two shorter (2.10 Å) and four longer (2.12 Å) Mg–O bond lengths. There are eight inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.00 Å. In the second H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length ismore »« less
Materials Data on ZnH16(IO8)2 by Materials Project

Dataset The Materials Project

ZnH16(O8I)2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two ZnH16(O8I)2 ribbons oriented in the (-1, 1, 0) direction. Zn is bonded in an octahedral geometry to six O atoms. There are a spread of Zn–O bond distances ranging from 2.10–2.14 Å. There are eight inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.00 Å. In the second H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å.more »« less
Materials Data on Mg(AgO2)2 (SG:2) by Materials Project

Dataset The Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Similar Records