Materials Data on SeO2 by Materials Project

doi:10.17188/1270908

Title: Materials Data on SeO2 by Materials Project

Dataset
Other Related Research

Abstract

SeO2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is one-dimensional and consists of four SeO2 ribbons oriented in the (0, 1, 0) direction. Se4+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is one shorter (1.64 Å) and two longer (1.84 Å) Se–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Se4+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one Se4+ atom. The O–Se bond length is 1.65 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one Se4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-559545

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; SeO2; O-Se

OSTI Identifier:: 1270908

DOI:: https://doi.org/10.17188/1270908

Citation Formats


                    The Materials Project. Materials Data on SeO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1270908.

Copy to clipboard


                    The Materials Project. Materials Data on SeO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1270908

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on SeO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1270908.  https://www.osti.gov/servlets/purl/1270908. Pub date:Wed Jul 15 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1270908,

  title        = {Materials Data on SeO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SeO2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is one-dimensional and consists of four SeO2 ribbons oriented in the (0, 1, 0) direction. Se4+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is one shorter (1.64 Å) and two longer (1.84 Å) Se–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Se4+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one Se4+ atom. The O–Se bond length is 1.65 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one Se4+ atom.},

  doi          = {10.17188/1270908},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1270908

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on P4(SeO2)3 by Materials Project

Dataset The Materials Project

P4(SeO2)3 is beta Np structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four P4(SeO2)3 clusters. there are four inequivalent P+4.50+ sites. In the first P+4.50+ site, P+4.50+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. All P–O bond lengths are 1.68 Å. In the second P+4.50+ site, P+4.50+ is bonded to one Se2- and three O2- atoms to form distorted corner-sharing PSeO3 tetrahedra. The P–Se bond length is 2.04 Å. There is one shorter (1.62 Å) and two longer (1.64 Å) P–O bond length. In the third P+4.50+more »« less
Materials Data on SeO2 by Materials Project

Dataset The Materials Project

SeO2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is one-dimensional and consists of two SeO2 ribbons oriented in the (0, 1, 0) direction. there are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is one shorter (1.64 Å) and two longer (1.84 Å) Se–O bond length. In the second Se4+ site, Se4+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is one shorter (1.65 Å) and two longer (1.84 Å) Se–O bond length. There are three inequivalent O2- sites. Inmore »« less
Materials Data on SeO2 by Materials Project

Dataset The Materials Project

SeO2 crystallizes in the orthorhombic Pbam space group. The structure is one-dimensional and consists of four SeO2 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is one shorter (1.64 Å) and two longer (1.85 Å) Se–O bond length. In the second Se4+ site, Se4+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is one shorter (1.65 Å) and two longer (1.84 Å) Se–O bond length. There are three inequivalent O2- sites. Inmore »« less
Materials Data on YFe2Bi2(SeO2)2 by Materials Project

Dataset The Materials Project

Y(BiO2)2(FeSe)2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two FeSe sheets oriented in the (0, 0, 1) direction and two Y(BiO2)2 sheets oriented in the (0, 0, 1) direction. In each FeSe sheet, Fe+2.50+ is bonded to four equivalent Se2- atoms to form a mixture of corner and edge-sharing FeSe4 tetrahedra. All Fe–Se bond lengths are 2.58 Å. Se2- is bonded in a 4-coordinate geometry to four equivalent Fe+2.50+ atoms. In each Y(BiO2)2 sheet, Y3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Y–O bond lengths are 2.41more »« less
Materials Data on YCu2Bi2(SeO2)2 by Materials Project

Dataset The Materials Project

Bi2YO4Cu2Se2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two CuSe sheets oriented in the (0, 0, 1) direction and two Y(BiO2)2 sheets oriented in the (0, 0, 1) direction. In each CuSe sheet, Cu+1.50+ is bonded to four equivalent Se2- atoms to form a mixture of edge and corner-sharing CuSe4 tetrahedra. All Cu–Se bond lengths are 2.47 Å. Se2- is bonded in a 4-coordinate geometry to four equivalent Cu+1.50+ atoms. In each Y(BiO2)2 sheet, Y3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Y–O bond lengths are 2.40more »« less

Similar Records