Materials Data on SmY3 by Materials Project

doi:10.17188/1316120

Title: Materials Data on SmY3 by Materials Project

Dataset
Other Related Research

Abstract

SmY3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded to twelve equivalent Y atoms to form SmY12 cuboctahedra that share corners with six equivalent SmY12 cuboctahedra, corners with twelve equivalent YSm4Y8 cuboctahedra, edges with eighteen equivalent YSm4Y8 cuboctahedra, faces with eight equivalent SmY12 cuboctahedra, and faces with twelve equivalent YSm4Y8 cuboctahedra. There are six shorter (3.57 Å) and six longer (3.66 Å) Sm–Y bond lengths. Y is bonded to four equivalent Sm and eight equivalent Y atoms to form YSm4Y8 cuboctahedra that share corners with four equivalent SmY12 cuboctahedra, corners with fourteen equivalent YSm4Y8 cuboctahedra, edges with six equivalent SmY12 cuboctahedra, edges with twelve equivalent YSm4Y8 cuboctahedra, faces with four equivalent SmY12 cuboctahedra, and faces with sixteen equivalent YSm4Y8 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.56–3.66 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-979292

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; SmY3; Sm-Y

OSTI Identifier:: 1316120

DOI:: https://doi.org/10.17188/1316120

Citation Formats


                    The Materials Project. Materials Data on SmY3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316120.

Copy to clipboard


                    The Materials Project. Materials Data on SmY3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316120

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on SmY3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316120.  https://www.osti.gov/servlets/purl/1316120. Pub date:Wed Jul 22 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1316120,

  title        = {Materials Data on SmY3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SmY3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded to twelve equivalent Y atoms to form SmY12 cuboctahedra that share corners with six equivalent SmY12 cuboctahedra, corners with twelve equivalent YSm4Y8 cuboctahedra, edges with eighteen equivalent YSm4Y8 cuboctahedra, faces with eight equivalent SmY12 cuboctahedra, and faces with twelve equivalent YSm4Y8 cuboctahedra. There are six shorter (3.57 Å) and six longer (3.66 Å) Sm–Y bond lengths. Y is bonded to four equivalent Sm and eight equivalent Y atoms to form YSm4Y8 cuboctahedra that share corners with four equivalent SmY12 cuboctahedra, corners with fourteen equivalent YSm4Y8 cuboctahedra, edges with six equivalent SmY12 cuboctahedra, edges with twelve equivalent YSm4Y8 cuboctahedra, faces with four equivalent SmY12 cuboctahedra, and faces with sixteen equivalent YSm4Y8 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.56–3.66 Å.},

  doi          = {10.17188/1316120},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1316120

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on SmY3 by Materials Project

Dataset The Materials Project

SmY3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm is bonded to twelve Y atoms to form SmY12 cuboctahedra that share corners with four equivalent SmY12 cuboctahedra, corners with eight equivalent YSm4Y8 cuboctahedra, edges with eight equivalent SmY12 cuboctahedra, edges with sixteen equivalent YSm4Y8 cuboctahedra, faces with four equivalent SmY12 cuboctahedra, and faces with fourteen YSm4Y8 cuboctahedra. There are four shorter (3.59 Å) and eight longer (3.60 Å) Sm–Y bond lengths. There are two inequivalent Y sites. In the first Y site, Y is bonded to four equivalent Sm and eightmore »« less
Materials Data on SmY3 by Materials Project

Dataset The Materials Project

SmY3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm is bonded to twelve equivalent Y atoms to form SmY12 cuboctahedra that share corners with twelve equivalent SmY12 cuboctahedra, edges with twenty-four equivalent YSm4Y8 cuboctahedra, faces with six equivalent SmY12 cuboctahedra, and faces with twelve equivalent YSm4Y8 cuboctahedra. All Sm–Y bond lengths are 3.60 Å. Y is bonded to four equivalent Sm and eight equivalent Y atoms to form YSm4Y8 cuboctahedra that share corners with twelve equivalent YSm4Y8 cuboctahedra, edges with eight equivalent SmY12 cuboctahedra, edges with sixteen equivalent YSm4Y8 cuboctahedra, facesmore »« 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