Materials Data on Th(SiIr)2 by Materials Project

doi:10.17188/1749559

Title: Materials Data on Th(SiIr)2 by Materials Project

Dataset
Other Related Research

Abstract

Th(IrSi)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Th is bonded in a 8-coordinate geometry to eight Ir and eight Si atoms. There are four shorter (3.19 Å) and four longer (3.29 Å) Th–Ir bond lengths. There are four shorter (3.21 Å) and four longer (3.23 Å) Th–Si bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to four equivalent Th and four equivalent Si atoms to form distorted IrTh4Si4 tetrahedra that share corners with twelve equivalent SiTh4Ir4 tetrahedra, edges with two equivalent SiTh4Ir4 tetrahedra, edges with four equivalent IrTh4Si4 tetrahedra, and faces with four equivalent IrTh4Si4 tetrahedra. All Ir–Si bond lengths are 2.47 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to four equivalent Th and five Si atoms. There are one shorter (2.42 Å) and four longer (2.45 Å) Ir–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded to four equivalent Th and four equivalent Ir atoms to form distorted SiTh4Ir4 tetrahedra that share corners with twelve equivalent IrTh4Si4 tetrahedra, edges with two equivalent IrTh4Si4 tetrahedra, edges with four equivalent SiTh4Ir4 tetrahedra, and facesmore »« less

Publication Date:: 2020-04-26

Other Number(s):: mp-1080037

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Ir-Si-Th; Th(SiIr)2; crystal structure

OSTI Identifier:: 1749559

DOI:: https://doi.org/10.17188/1749559

Citation Formats


                    Materials Data on Th(SiIr)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1749559.

Copy to clipboard


                    Materials Data on Th(SiIr)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1749559

Copy to clipboard


                    2020.  
"Materials Data on Th(SiIr)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1749559.  https://www.osti.gov/servlets/purl/1749559. Pub date:Sun Apr 26 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1749559,

  title        = {Materials Data on Th(SiIr)2 by Materials Project},

  
  abstractNote = {Th(IrSi)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Th is bonded in a 8-coordinate geometry to eight Ir and eight Si atoms. There are four shorter (3.19 Å) and four longer (3.29 Å) Th–Ir bond lengths. There are four shorter (3.21 Å) and four longer (3.23 Å) Th–Si bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to four equivalent Th and four equivalent Si atoms to form distorted IrTh4Si4 tetrahedra that share corners with twelve equivalent SiTh4Ir4 tetrahedra, edges with two equivalent SiTh4Ir4 tetrahedra, edges with four equivalent IrTh4Si4 tetrahedra, and faces with four equivalent IrTh4Si4 tetrahedra. All Ir–Si bond lengths are 2.47 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to four equivalent Th and five Si atoms. There are one shorter (2.42 Å) and four longer (2.45 Å) Ir–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded to four equivalent Th and four equivalent Ir atoms to form distorted SiTh4Ir4 tetrahedra that share corners with twelve equivalent IrTh4Si4 tetrahedra, edges with two equivalent IrTh4Si4 tetrahedra, edges with four equivalent SiTh4Ir4 tetrahedra, and faces with four equivalent SiTh4Ir4 tetrahedra. In the second Si site, Si is bonded in a 9-coordinate geometry to four equivalent Th and five Ir atoms.},

  doi          = {10.17188/1749559},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1749559

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Th(SiIr)2 by Materials Project

Dataset

Th(IrSi)2 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Th is bonded in a 8-coordinate geometry to eight Ir and eight equivalent Si atoms. There are four shorter (3.27 Å) and four longer (3.29 Å) Th–Ir bond lengths. There are four shorter (3.27 Å) and four longer (3.29 Å) Th–Si bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to four equivalent Th and four equivalent Si atoms. All Ir–Si bond lengths are 2.43 Å. In the second Ir site, Ir is bonded in a 9-coordinatemore »« less
Materials Data on Pu(SiIr)2 by Materials Project

Dataset

Pu(IrSi)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pu is bonded in a 8-coordinate geometry to eight Ir and eight Si atoms. There are four shorter (3.13 Å) and four longer (3.24 Å) Pu–Ir bond lengths. There are four shorter (3.14 Å) and four longer (3.18 Å) Pu–Si bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to four equivalent Pu and five Si atoms. There are one shorter (2.37 Å) and four longer (2.42 Å) Ir–Si bond lengths. In the second Ir site, Irmore »« less
Materials Data on U(SiIr)2 by Materials Project

Dataset

UIr2Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U is bonded in a 8-coordinate geometry to eight Ir and eight Si atoms. There are four shorter (3.11 Å) and four longer (3.25 Å) U–Ir bond lengths. There are four shorter (3.14 Å) and four longer (3.17 Å) U–Si bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to four equivalent U and five Si atoms. There are one shorter (2.35 Å) and four longer (2.41 Å) Ir–Si bond lengths. In the second Ir site, Irmore »« less
Materials Data on Ce(SiIr)2 by Materials Project

Dataset

CeIr2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to eight equivalent Ir and eight equivalent Si atoms. All Ce–Ir bond lengths are 3.26 Å. All Ce–Si bond lengths are 3.15 Å. Ir is bonded to four equivalent Ce and four equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing IrCe4Si4 tetrahedra. All Ir–Si bond lengths are 2.43 Å. Si is bonded in a 9-coordinate geometry to four equivalent Ce, four equivalent Ir, and one Si atom. The Si–Si bond length is 2.46 Å.
Materials Data on Y(SiIr)2 by Materials Project

Dataset

YIr2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to eight equivalent Ir and eight equivalent Si atoms. All Y–Ir bond lengths are 3.23 Å. All Y–Si bond lengths are 3.13 Å. Ir is bonded to four equivalent Y and four equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing IrY4Si4 tetrahedra. All Ir–Si bond lengths are 2.41 Å. Si is bonded in a 9-coordinate geometry to four equivalent Y, four equivalent Ir, and one Si atom. The Si–Si bond length is 2.43 Å.

Similar Records