Materials Data on SmSe2 by Materials Project

doi:10.17188/1350585

Title: Materials Data on SmSe2 by Materials Project

Dataset
Other Related Research

Abstract

SmSe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm3+ is bonded in a 9-coordinate geometry to nine Se+1.50- atoms. There are a spread of Sm–Se bond distances ranging from 3.02–3.12 Å. There are two inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent Se+1.50- atoms. All Se–Se bond lengths are 2.92 Å. In the second Se+1.50- site, Se+1.50- is bonded to five equivalent Sm3+ atoms to form a mixture of distorted corner and edge-sharing SeSm5 trigonal bipyramids.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-1019253

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; SmSe2; Se-Sm

OSTI Identifier:: 1350585

DOI:: https://doi.org/10.17188/1350585

Citation Formats


                    The Materials Project. Materials Data on SmSe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1350585.

Copy to clipboard


                    The Materials Project. Materials Data on SmSe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1350585

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on SmSe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1350585.  https://www.osti.gov/servlets/purl/1350585. Pub date:Thu Jul 16 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1350585,

  title        = {Materials Data on SmSe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SmSe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm3+ is bonded in a 9-coordinate geometry to nine Se+1.50- atoms. There are a spread of Sm–Se bond distances ranging from 3.02–3.12 Å. There are two inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent Se+1.50- atoms. All Se–Se bond lengths are 2.92 Å. In the second Se+1.50- site, Se+1.50- is bonded to five equivalent Sm3+ atoms to form a mixture of distorted corner and edge-sharing SeSm5 trigonal bipyramids.},

  doi          = {10.17188/1350585},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1350585

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Sr(SmSe2)2 by Materials Project

Dataset The Materials Project

Sr(SmSe2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Sr2+ is bonded to eight equivalent Se2- atoms to form distorted SrSe8 hexagonal bipyramids that share corners with eight equivalent SmSe8 hexagonal bipyramids, edges with four equivalent SrSe8 hexagonal bipyramids, and faces with eight equivalent SmSe8 hexagonal bipyramids. There are four shorter (3.08 Å) and four longer (3.26 Å) Sr–Se bond lengths. Sm3+ is bonded to eight equivalent Se2- atoms to form distorted SmSe8 hexagonal bipyramids that share corners with four equivalent SrSe8 hexagonal bipyramids, corners with four equivalent SmSe8 hexagonal bipyramids, edges with four equivalent SmSe8 hexagonalmore »« less
Materials Data on Na(SmSe2)3 by Materials Project

Dataset The Materials Project

SmNa(SmSe2)2(Se)2 crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two samarium molecules; four selenium molecules; and one Na(SmSe2)2 sheet oriented in the (0, 0, 1) direction. In the Na(SmSe2)2 sheet, Na1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent Se+1.67- atoms. All Na–Se bond lengths are 2.92 Å. Sm3+ is bonded in a linear geometry to two equivalent Se+1.67- atoms. Both Sm–Se bond lengths are 2.61 Å. Se+1.67- is bonded in a distorted linear geometry to one Na1+ and one Sm3+ atom.
Materials Data on Ba(SmSe2)2 by Materials Project

Dataset The Materials Project

Ba(SmSe2)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 3.37–3.58 Å. There are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing SmSe6 octahedra. The corner-sharing octahedra tilt angles range from 48–63°. There are a spread of Sm–Se bond distances ranging from 2.90–2.96 Å. In the second Sm3+ site, Sm3+ is bonded to six Se2- atoms to form a mixture ofmore »« 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.

Similar Records