Materials Data on H2Se by Materials Project

doi:10.17188/1200085

Title: Materials Data on H2Se by Materials Project

Dataset
Other Related Research

Abstract

H2Se is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. H1+ is bonded to four equivalent Se2- atoms to form a mixture of corner and edge-sharing HSe4 tetrahedra. All H–Se bond lengths are 2.12 Å. Se2- is bonded in a body-centered cubic geometry to eight equivalent H1+ atoms.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-24420

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; H2Se; H-Se

OSTI Identifier:: 1200085

DOI:: https://doi.org/10.17188/1200085

Citation Formats


                    The Materials Project. Materials Data on H2Se by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1200085.

Copy to clipboard


                    The Materials Project. Materials Data on H2Se by Materials Project.  United States.  doi:https://doi.org/10.17188/1200085

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on H2Se by Materials Project".  United States.  doi:https://doi.org/10.17188/1200085.  https://www.osti.gov/servlets/purl/1200085. Pub date:Tue Jul 14 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1200085,

  title        = {Materials Data on H2Se by Materials Project},

  author       = {The Materials Project},

  abstractNote = {H2Se is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. H1+ is bonded to four equivalent Se2- atoms to form a mixture of corner and edge-sharing HSe4 tetrahedra. All H–Se bond lengths are 2.12 Å. Se2- is bonded in a body-centered cubic geometry to eight equivalent H1+ atoms.},

  doi          = {10.17188/1200085},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1200085

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Nb(H2Se)2 by Materials Project

Dataset The Materials Project

(NbH3Se2)2H2 crystallizes in the monoclinic Cc space group. The structure is one-dimensional and consists of four hydrogen molecules and two NbH3Se2 ribbons oriented in the (1, 0, 1) direction. In each NbH3Se2 ribbon, Nb2+ is bonded in a 6-coordinate geometry to three H+0.50+ and three Se2- atoms. There are two shorter (1.77 Å) and one longer (2.50 Å) Nb–H bond lengths. There are a spread of Nb–Se bond distances ranging from 2.36–2.72 Å. There are three inequivalent H+0.50+ sites. In the first H+0.50+ site, H+0.50+ is bonded in a distorted single-bond geometry to one Nb2+ and one Se2- atom. Themore »« less
Materials Data on Nb(H2Se)2 by Materials Project

Dataset The Materials Project

(NbH3Se2)2H2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of four hydrogen molecules and two NbH3Se2 sheets oriented in the (0, 0, 1) direction. In each NbH3Se2 sheet, Nb2+ is bonded in a 6-coordinate geometry to three H+0.50+ and three equivalent Se2- atoms. There is two shorter (1.88 Å) and one longer (1.90 Å) Nb–H bond length. There are one shorter (2.81 Å) and two longer (2.83 Å) Nb–Se bond lengths. There are two inequivalent H+0.50+ sites. In the first H+0.50+ site, H+0.50+ is bonded in a T-shaped geometry to one Nb2+ and two equivalentmore »« less
Materials Data on LiMg9B20 by Materials Project

Dataset The Materials Project

LiMg9B20 is hexagonal omega structure-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li is bonded to twelve B atoms to form LiB12 cuboctahedra that share edges with twelve MgB12 cuboctahedra and faces with eight MgB12 cuboctahedra. There are a spread of Li–B bond distances ranging from 2.48–2.50 Å. There are five inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve B atoms to form MgB12 cuboctahedra that share edges with twelve MgB12 cuboctahedra, faces with two equivalent LiB12 cuboctahedra, and faces with six MgB12 cuboctahedra. There are a spread ofmore »« less
Materials Data on Y(CoB)2 by Materials Project

Dataset The Materials Project

YCo2B2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y3+ is bonded in a body-centered cubic geometry to eight equivalent B3- atoms. All Y–B bond lengths are 2.89 Å. Co+1.50+ is bonded to four equivalent B3- atoms to form a mixture of distorted edge and corner-sharing CoB4 tetrahedra. All Co–B bond lengths are 2.00 Å. B3- is bonded in a 4-coordinate geometry to four equivalent Y3+ and four equivalent Co+1.50+ atoms.
Materials Data on Sr2H5Rh by Materials Project

Dataset The Materials Project

Sr2RhH5 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sr is bonded in a distorted q6 geometry to ten H atoms. There are a spread of Sr–H bond distances ranging from 2.68–2.75 Å. Rh is bonded in a square pyramidal geometry to five H atoms. There is four shorter (1.69 Å) and one longer (1.80 Å) Rh–H bond length. There are two inequivalent H sites. In the first H site, H is bonded to four equivalent Sr and one Rh atom to form a mixture of corner, edge, and face-sharing HSr4Rh square pyramids. In the second Hmore »« less

Similar Records