Materials Data on NaCd3 by Materials Project

doi:10.17188/1314031

Title: Materials Data on NaCd3 by Materials Project

Dataset
Other Related Research

Abstract

NaCd3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na is bonded to twelve Cd atoms to form NaCd12 cuboctahedra that share corners with six equivalent NaCd12 cuboctahedra, corners with twelve equivalent CdNa4Cd8 cuboctahedra, edges with eighteen CdNa4Cd8 cuboctahedra, faces with eight equivalent NaCd12 cuboctahedra, and faces with twelve CdNa4Cd8 cuboctahedra. All Na–Cd bond lengths are 3.24 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to four equivalent Na and eight Cd atoms to form distorted CdNa4Cd8 cuboctahedra that share corners with four equivalent NaCd12 cuboctahedra, corners with fourteen CdNa4Cd8 cuboctahedra, edges with six equivalent NaCd12 cuboctahedra, edges with twelve CdNa4Cd8 cuboctahedra, faces with four equivalent NaCd12 cuboctahedra, and faces with sixteen CdNa4Cd8 cuboctahedra. There are six shorter (3.22 Å) and two longer (3.26 Å) Cd–Cd bond lengths. In the second Cd site, Cd is bonded to four equivalent Na and eight equivalent Cd atoms to form distorted CdNa4Cd8 cuboctahedra that share corners with four equivalent NaCd12 cuboctahedra, corners with fourteen CdNa4Cd8 cuboctahedra, edges with six equivalent NaCd12 cuboctahedra, edges with twelve equivalent CdNa4Cd8 cuboctahedra, faces with four equivalent NaCd12 cuboctahedra, and faces with sixteenmore » CdNa4Cd8 cuboctahedra.« less

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-973166

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; NaCd3; Cd-Na

OSTI Identifier:: 1314031

DOI:: https://doi.org/10.17188/1314031

Citation Formats


                    The Materials Project. Materials Data on NaCd3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1314031.

Copy to clipboard


                    The Materials Project. Materials Data on NaCd3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1314031

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on NaCd3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1314031.  https://www.osti.gov/servlets/purl/1314031. Pub date:Wed Jul 22 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1314031,

  title        = {Materials Data on NaCd3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaCd3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na is bonded to twelve Cd atoms to form NaCd12 cuboctahedra that share corners with six equivalent NaCd12 cuboctahedra, corners with twelve equivalent CdNa4Cd8 cuboctahedra, edges with eighteen CdNa4Cd8 cuboctahedra, faces with eight equivalent NaCd12 cuboctahedra, and faces with twelve CdNa4Cd8 cuboctahedra. All Na–Cd bond lengths are 3.24 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to four equivalent Na and eight Cd atoms to form distorted CdNa4Cd8 cuboctahedra that share corners with four equivalent NaCd12 cuboctahedra, corners with fourteen CdNa4Cd8 cuboctahedra, edges with six equivalent NaCd12 cuboctahedra, edges with twelve CdNa4Cd8 cuboctahedra, faces with four equivalent NaCd12 cuboctahedra, and faces with sixteen CdNa4Cd8 cuboctahedra. There are six shorter (3.22 Å) and two longer (3.26 Å) Cd–Cd bond lengths. In the second Cd site, Cd is bonded to four equivalent Na and eight equivalent Cd atoms to form distorted CdNa4Cd8 cuboctahedra that share corners with four equivalent NaCd12 cuboctahedra, corners with fourteen CdNa4Cd8 cuboctahedra, edges with six equivalent NaCd12 cuboctahedra, edges with twelve equivalent CdNa4Cd8 cuboctahedra, faces with four equivalent NaCd12 cuboctahedra, and faces with sixteen CdNa4Cd8 cuboctahedra.},

  doi          = {10.17188/1314031},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1314031

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on NaCd3 by Materials Project

Dataset The Materials Project

NaCd3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a distorted body-centered cubic geometry to fourteen Cd atoms. There are eight shorter (3.13 Å) and six longer (3.62 Å) Na–Cd bond lengths. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to four equivalent Na and four equivalent Cd atoms to form a mixture of distorted face, edge, and corner-sharing CdNa4Cd4 tetrahedra. All Cd–Cd bond lengths are 3.13 Å. In the second Cd site, Cd is bonded in a 8-coordinate geometry tomore »« less
Materials Data on NaCd3 by Materials Project

Dataset The Materials Project

NaCd3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Na is bonded to twelve Cd atoms to form NaCd12 cuboctahedra that share corners with four equivalent NaCd12 cuboctahedra, corners with twenty-four CdNa4Cd4 cuboctahedra, edges with eight equivalent NaCd12 cuboctahedra, edges with eight equivalent CdNa4Cd4 cuboctahedra, faces with four equivalent NaCd12 cuboctahedra, and faces with six equivalent CdNa4Cd8 cuboctahedra. There are eight shorter (3.22 Å) and four longer (3.25 Å) Na–Cd bond lengths. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to four equivalent Na and fourmore »« 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