Materials Data on SeBr by Materials Project

doi:10.17188/1275800

Title: Materials Data on SeBr by Materials Project

Dataset
Other Related Research

Abstract

SeBr crystallizes in the orthorhombic Aea2 space group. The structure is zero-dimensional and consists of four selenium bromide (se2br2) molecules. Se is bonded in a distorted water-like geometry to one Se and one Br atom. The Se–Se bond length is 2.27 Å. The Se–Br bond length is 2.42 Å. Br is bonded in a single-bond geometry to one Se atom.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-570589

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; SeBr; Br-Se

OSTI Identifier:: 1275800

DOI:: https://doi.org/10.17188/1275800

Citation Formats


                    The Materials Project. Materials Data on SeBr by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275800.

Copy to clipboard


                    The Materials Project. Materials Data on SeBr by Materials Project.  United States.  doi:https://doi.org/10.17188/1275800

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on SeBr by Materials Project".  United States.  doi:https://doi.org/10.17188/1275800.  https://www.osti.gov/servlets/purl/1275800. Pub date:Thu Jul 16 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1275800,

  title        = {Materials Data on SeBr by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SeBr crystallizes in the orthorhombic Aea2 space group. The structure is zero-dimensional and consists of four selenium bromide (se2br2) molecules. Se is bonded in a distorted water-like geometry to one Se and one Br atom. The Se–Se bond length is 2.27 Å. The Se–Br bond length is 2.42 Å. Br is bonded in a single-bond geometry to one Se atom.},

  doi          = {10.17188/1275800},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1275800

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Hg3(SeBr)2 by Materials Project

Dataset The Materials Project

Hg3(SeBr)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are five inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded to two Se2- and three Br1- atoms to form distorted HgSe2Br3 square pyramids that share corners with two HgSe2Br4 octahedra, a cornercorner with one HgSe2Br3 square pyramid, edges with two HgSe2Br4 octahedra, and an edgeedge with one HgSe2Br3 square pyramid. The corner-sharing octahedra tilt angles range from 59–61°. Both Hg–Se bond lengths are 2.59 Å. There are a spread of Hg–Br bond distances ranging from 2.93–3.52 Å. In the second Hg2+ site, Hg2+ ismore »« less
Materials Data on SeBr by Materials Project

Dataset The Materials Project

SeBr crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four selenium bromide (se2br2) molecules. there are two inequivalent Se sites. In the first Se site, Se is bonded in a water-like geometry to one Se and one Br atom. The Se–Se bond length is 2.24 Å. The Se–Br bond length is 2.42 Å. In the second Se site, Se is bonded in a water-like geometry to one Se and one Br atom. The Se–Br bond length is 2.44 Å. There are two inequivalent Br sites. In the first Br site, Br is bonded inmore »« less
Materials Data on Re3(SeBr)7 by Materials Project

Dataset The Materials Project

Re3(SeBr)7 crystallizes in the trigonal P31c space group. The structure is zero-dimensional and consists of four Re3(SeBr)7 clusters. Re7+ is bonded to five Se2- and two Br1- atoms to form distorted face-sharing ReSe5Br2 pentagonal bipyramids. There are a spread of Re–Se bond distances ranging from 2.49–2.61 Å. Both Re–Br bond lengths are 2.60 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to three equivalent Re7+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to two equivalent Re7+ and one Br1- atom. The Se–Br bondmore »« less
Materials Data on Nb(SeBr)2 by Materials Project

Dataset The Materials Project

NbSe2Br2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one NbSe2Br2 sheet oriented in the (0, 0, 1) direction. Nb5+ is bonded in a 8-coordinate geometry to four Se+1.50- and four equivalent Br1- atoms. There are two shorter (2.63 Å) and two longer (2.66 Å) Nb–Se bond lengths. There are two shorter (2.78 Å) and two longer (2.81 Å) Nb–Br bond lengths. There are two inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded in a 5-coordinate geometry to two equivalent Nb5+ atoms. In the second Se+1.50- site, Se+1.50- is bonded inmore »« less
Materials Data on Nb(SeBr)2 by Materials Project

Dataset The Materials Project

NbSe2Br2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one NbSe2Br2 sheet oriented in the (0, 0, 1) direction. Nb5+ is bonded in a 8-coordinate geometry to four Se+1.50- and four Br1- atoms. There are two shorter (2.63 Å) and two longer (2.66 Å) Nb–Se bond lengths. There are a spread of Nb–Br bond distances ranging from 2.78–2.82 Å. There are two inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded in a 10-coordinate geometry to two equivalent Nb5+ atoms. In the second Se+1.50- site, Se+1.50- is bonded in a 2-coordinate geometrymore »« less

Similar Records