Materials Data on Nd(SiIr)2 by Materials Project

doi:10.17188/1273715

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

Dataset
Other Related Research

Abstract

NdIr2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd2+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Nd–Si bond lengths are 3.18 Å. Ir3+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing IrSi4 tetrahedra. All Ir–Si bond lengths are 2.43 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Nd2+, four equivalent Ir3+, and one Si4- atom. The Si–Si bond length is 2.53 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-17

Other Number(s):: mp-567130

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; Nd(SiIr)2; Ir-Nd-Si

OSTI Identifier:: 1273715

DOI:: https://doi.org/10.17188/1273715

Citation Formats


                    The Materials Project. Materials Data on Nd(SiIr)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1273715.

Copy to clipboard


                    The Materials Project. Materials Data on Nd(SiIr)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1273715

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Nd(SiIr)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1273715.  https://www.osti.gov/servlets/purl/1273715. Pub date:Fri Jul 17 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1273715,

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

  author       = {The Materials Project},

  abstractNote = {NdIr2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd2+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Nd–Si bond lengths are 3.18 Å. Ir3+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing IrSi4 tetrahedra. All Ir–Si bond lengths are 2.43 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Nd2+, four equivalent Ir3+, and one Si4- atom. The Si–Si bond length is 2.53 Å.},

  doi          = {10.17188/1273715},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1273715

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Nd(SiIr)2 by Materials Project

Dataset The Materials Project

NdIr2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd2+ is bonded in a 8-coordinate geometry to eight equivalent Si4- atoms. All Nd–Si bond lengths are 3.27 Å. Ir3+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. All Ir–Si bond lengths are 2.42 Å. Si4- is bonded in a 4-coordinate geometry to four equivalent Nd2+ and four equivalent Ir3+ atoms.
Materials Data on Nd(SiIr)2 by Materials Project

Dataset The Materials Project

NdIr2Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Nd2+ is bonded in a 8-coordinate geometry to eight Si4- atoms. There are four shorter (3.20 Å) and four longer (3.22 Å) Nd–Si bond lengths. There are two inequivalent Ir3+ sites. In the first Ir3+ site, Ir3+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing IrSi4 tetrahedra. All Ir–Si bond lengths are 2.46 Å. In the second Ir3+ site, Ir3+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are one shorter (2.42 Å) and four longer (2.44 Å)more »« less
Materials Data on Y(SiIr)2 by Materials Project

Dataset The Materials Project

YIr2Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to eight Ir and eight Si atoms. There are four shorter (3.15 Å) and four longer (3.26 Å) Y–Ir bond lengths. There are four shorter (3.17 Å) and four longer (3.18 Å) Y–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 Y and five Si atoms. There are one shorter (2.37 Å) and four longer (2.43 Å) Ir–Si bond lengths. In the second Ir site, Irmore »« less
Materials Data on Er(SiIr)2 by Materials Project

Dataset The Materials Project

Er(IrSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded in a 8-coordinate geometry to eight equivalent Ir and eight equivalent Si atoms. All Er–Ir bond lengths are 3.21 Å. All Er–Si bond lengths are 3.12 Å. Ir is bonded to four equivalent Er and four equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing IrEr4Si4 tetrahedra. All Ir–Si bond lengths are 2.41 Å. Si is bonded in a 9-coordinate geometry to four equivalent Er, four equivalent Ir, and one Si atom. The Si–Si bond length is 2.40 Å.
Materials Data on Np(SiIr)2 by Materials Project

Dataset The Materials Project

Np(IrSi)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Np is bonded in a 4-coordinate geometry to eight Ir and eight Si atoms. There are four shorter (3.13 Å) and four longer (3.29 Å) Np–Ir bond lengths. There are four shorter (3.16 Å) and four longer (3.18 Å) Np–Si bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to four equivalent Np and four equivalent Si atoms to form distorted IrNp4Si4 tetrahedra that share corners with twelve equivalent SiNp4Ir4 tetrahedra, edges with two equivalent SiNp4Ir4 tetrahedra, edges with four equivalentmore »« less

Similar Records