Materials Data on Yb(YSe2)2 by Materials Project

doi:10.17188/1741614

Title: Materials Data on Yb(YSe2)2 by Materials Project

Dataset
Other Related Research

Abstract

Yb(YSe2)2 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. Yb2+ is bonded to six Se2- atoms to form YbSe6 octahedra that share corners with six equivalent YSe6 octahedra, edges with two equivalent YbSe6 octahedra, and edges with six YSe6 octahedra. The corner-sharing octahedra tilt angles range from 1–4°. There are two shorter (2.94 Å) and four longer (2.98 Å) Yb–Se bond lengths. There are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to six Se2- atoms to form YSe6 octahedra that share corners with six equivalent YbSe6 octahedra, edges with two equivalent YbSe6 octahedra, and edges with six YSe6 octahedra. The corner-sharing octahedra tilt angles range from 1–4°. There are two shorter (2.84 Å) and four longer (2.91 Å) Y–Se bond lengths. In the second Y3+ site, Y3+ is bonded to six Se2- atoms to form YSe6 octahedra that share edges with four equivalent YbSe6 octahedra and edges with six YSe6 octahedra. There are four shorter (2.87 Å) and two longer (2.89 Å) Y–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Yb2+ and three Y3+ atoms to form a mixture ofmore »« less

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1215857

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; Yb(YSe2)2; Se-Y-Yb

OSTI Identifier:: 1741614

DOI:: https://doi.org/10.17188/1741614

Citation Formats


                    The Materials Project. Materials Data on Yb(YSe2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1741614.

Copy to clipboard


                    The Materials Project. Materials Data on Yb(YSe2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1741614

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Yb(YSe2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1741614.  https://www.osti.gov/servlets/purl/1741614. Pub date:Sun May 03 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1741614,

  title        = {Materials Data on Yb(YSe2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Yb(YSe2)2 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. Yb2+ is bonded to six Se2- atoms to form YbSe6 octahedra that share corners with six equivalent YSe6 octahedra, edges with two equivalent YbSe6 octahedra, and edges with six YSe6 octahedra. The corner-sharing octahedra tilt angles range from 1–4°. There are two shorter (2.94 Å) and four longer (2.98 Å) Yb–Se bond lengths. There are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to six Se2- atoms to form YSe6 octahedra that share corners with six equivalent YbSe6 octahedra, edges with two equivalent YbSe6 octahedra, and edges with six YSe6 octahedra. The corner-sharing octahedra tilt angles range from 1–4°. There are two shorter (2.84 Å) and four longer (2.91 Å) Y–Se bond lengths. In the second Y3+ site, Y3+ is bonded to six Se2- atoms to form YSe6 octahedra that share edges with four equivalent YbSe6 octahedra and edges with six YSe6 octahedra. There are four shorter (2.87 Å) and two longer (2.89 Å) Y–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Yb2+ and three Y3+ atoms to form a mixture of corner and edge-sharing SeYb2Y3 square pyramids. In the second Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to one Yb2+ and three Y3+ atoms.},

  doi          = {10.17188/1741614},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1741614

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Yb(YSe2)2 by Materials Project

Dataset The Materials Project

Yb(YSe2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb2+ is bonded to seven Se2- atoms to form distorted YbSe7 pentagonal bipyramids that share corners with eight YSe6 octahedra, edges with five YSe6 octahedra, edges with two equivalent YbSe7 pentagonal bipyramids, and faces with two equivalent YbSe7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 12–66°. There are a spread of Yb–Se bond distances ranging from 2.99–3.16 Å. There are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to six Se2- atoms to form YSe6 octahedra that share corners with three equivalentmore »« less
Materials Data on Sr(YSe2)2 by Materials Project

Dataset The Materials Project

Sr(YSe2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Sr–Se bond distances ranging from 3.22–3.54 Å. There are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to six Se2- atoms to form a mixture of corner and edge-sharing YSe6 octahedra. The corner-sharing octahedra tilt angles range from 47–62°. There are a spread of Y–Se bond distances ranging from 2.85–2.91 Å. In the second Y3+ site, Y3+ is bonded to six Se2- atoms to form a mixture ofmore »« less
Materials Data on Ba(YSe2)2 by Materials Project

Dataset The Materials Project

Ba(YSe2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Ba–Se bond distances ranging from 3.34–3.53 Å. There are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing YSe6 octahedra. The corner-sharing octahedra tilt angles range from 48–60°. There are a spread of Y–Se bond distances ranging from 2.85–2.94 Å. In the second Y3+ site, Y3+ is bonded to six Se2- atoms to form a mixture ofmore »« less
Materials Data on Eu(YSe2)2 by Materials Project

Dataset The Materials Project

Eu(YSe2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Eu2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Eu–Se bond distances ranging from 3.17–3.45 Å. There are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing YSe6 octahedra. The corner-sharing octahedra tilt angles range from 47–65°. There are a spread of Y–Se bond distances ranging from 2.83–2.91 Å. In the second Y3+ site, Y3+ is bonded to six Se2- atoms to form a mixture ofmore »« less
Materials Data on YSe2 by Materials Project

Dataset The Materials Project

YSe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight Se+1.50- atoms. There are a spread of Y–Se bond distances ranging from 2.80–3.12 Å. There are two inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded to four equivalent Y3+ atoms to form a mixture of distorted edge and corner-sharing SeY4 trigonal pyramids. In the second Se+1.50- site, Se+1.50- is bonded in a 5-coordinate geometry to four equivalent Y3+ and one Se+1.50- atom. The Se–Se bond length is 2.42 Å.

Similar Records