Materials Data on MgTe(BrO)6 by Materials Project

doi:10.17188/1738287

Title: Materials Data on MgTe(BrO)6 by Materials Project

Dataset
Other Related Research

Abstract

Mg(OBr)6Te is Halite, Rock Salt structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of four tellurium molecules and four Mg(OBr)6 clusters. In each Mg(OBr)6 cluster, Mg2+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Mg–O bond lengths are 2.14 Å. O2- is bonded in a bent 120 degrees geometry to one Mg2+ and one Br1+ atom. The O–Br bond length is 1.76 Å. Br1+ is bonded in a single-bond geometry to one O2- atom.

Publication Date:: 2020-04-29

Other Number(s):: mp-1199775

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; Br-Mg-O-Te; MgTe(BrO)6; crystal structure

OSTI Identifier:: 1738287

DOI:: https://doi.org/10.17188/1738287

Citation Formats


                    Materials Data on MgTe(BrO)6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1738287.

Copy to clipboard


                    Materials Data on MgTe(BrO)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1738287

Copy to clipboard


                    2020.  
"Materials Data on MgTe(BrO)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1738287.  https://www.osti.gov/servlets/purl/1738287. Pub date:Wed Apr 29 04:00:00 UTC 2020

Copy to clipboard


                    
@article{osti_1738287,

  title        = {Materials Data on MgTe(BrO)6 by Materials Project},

  
  abstractNote = {Mg(OBr)6Te is Halite, Rock Salt structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of four tellurium molecules and four Mg(OBr)6 clusters. In each Mg(OBr)6 cluster, Mg2+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Mg–O bond lengths are 2.14 Å. O2- is bonded in a bent 120 degrees geometry to one Mg2+ and one Br1+ atom. The O–Br bond length is 1.76 Å. Br1+ is bonded in a single-bond geometry to one O2- atom.},

  doi          = {10.17188/1738287},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1738287

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on MgTe(BrO)6 by Materials Project

Dataset

(Mg(OBr)6)3MgO5Br4(Te)4BrOBr crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one hydrobromic acid molecule, one hypobromous acid molecule, four tellurium molecules, three Mg(OBr)6 clusters, and one MgO5Br4 cluster. In each Mg(OBr)6 cluster, Mg2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.12–2.14 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Mg2+ and one Br1+ atom. The O–Br bond length is 1.76 Å. In the second O2- site, O2-more »« less
Materials Data on MgTe(ClO)6 by Materials Project

Dataset

MgO6TeCl6 is Modderite-like structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three MgO6 clusters and three TeCl6 clusters. In each MgO6 cluster, Mg is bonded in a distorted octahedral geometry to six equivalent O atoms. All Mg–O bond lengths are 2.18 Å. O is bonded in a 1-coordinate geometry to one Mg and two equivalent O atoms. Both O–O bond lengths are 1.52 Å. In each TeCl6 cluster, Te is bonded in an octahedral geometry to six equivalent Cl atoms. All Te–Cl bond lengths are 2.57 Å. Cl is bonded in amore » single-bond geometry to one Te atom.« less
Materials Data on MgTe(ClO)6 by Materials Project

Dataset

MgTe(OCl)6 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one MgTe(OCl)6 ribbon oriented in the (0, 1, 0) direction. Mg is bonded in a distorted square co-planar geometry to four O and two equivalent Cl atoms. There are two shorter (2.02 Å) and two longer (2.09 Å) Mg–O bond lengths. Both Mg–Cl bond lengths are 2.83 Å. Te is bonded in a distorted octahedral geometry to four O and two equivalent Cl atoms. There are two shorter (1.88 Å) and two longer (2.14 Å) Te–O bond lengths. Both Te–Cl bond lengths are 2.45 Å.more »« less
Materials Data on CaZn2H12(BrO)6 by Materials Project

Dataset

Ca(H2O)6(ZnBr3)2 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four Ca(H2O)6 clusters and four ZnBr3 clusters. In each Ca(H2O)6 cluster, Ca2+ is bonded in an octahedral geometry to six O2- atoms. There are two shorter (2.37 Å) and four longer (2.38 Å) Ca–O bond lengths. There are six 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 lengthmore »« less
Materials Data on MgZn2H12(BrO)6 by Materials Project

Dataset

Mg(H2O)6(ZnBr3)2 crystallizes in the orthorhombic Immm space group. The structure is zero-dimensional and consists of two magnesium;hexahydrate molecules and two ZnBr3 clusters. In each ZnBr3 cluster, Zn2+ is bonded to four Br1- atoms to form edge-sharing ZnBr4 tetrahedra. There are two shorter (2.42 Å) and two longer (2.49 Å) Zn–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Zn2+ atom. In the second Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Zn2+ atoms.

Similar Records