Materials Data on Nd3(Si3Pd10)2 by Materials Project

doi:10.17188/1758287

Title: Materials Data on Nd3(Si3Pd10)2 by Materials Project

Dataset
Other Related Research

Abstract

Nd3Pd20Si6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to sixteen Pd atoms to form distorted NdPd16 tetrahedra that share edges with six equivalent NdPd16 tetrahedra and faces with four equivalent NdPd12 cuboctahedra. There are four shorter (2.91 Å) and twelve longer (3.38 Å) Nd–Pd bond lengths. In the second Nd site, Nd is bonded to twelve equivalent Pd atoms to form distorted face-sharing NdPd12 cuboctahedra. All Nd–Pd bond lengths are 3.04 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 2-coordinate geometry to three Nd and two equivalent Si atoms. Both Pd–Si bond lengths are 2.45 Å. In the second Pd site, Pd is bonded to one Nd and three equivalent Si atoms to form a mixture of edge and corner-sharing PdNdSi3 tetrahedra. All Pd–Si bond lengths are 2.49 Å. Si is bonded in a 8-coordinate geometry to eight Pd atoms.

Publication Date:: Thu Sep 03 00:00:00 EDT 2020

Other Number(s):: mp-1209902

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; Nd-Pd-Si; Nd3(Si3Pd10)2; crystal structure

OSTI Identifier:: 1758287

DOI:: https://doi.org/10.17188/1758287

Citation Formats


                    Materials Data on Nd3(Si3Pd10)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1758287.

Copy to clipboard


                    Materials Data on Nd3(Si3Pd10)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1758287

Copy to clipboard


                    2020.  
"Materials Data on Nd3(Si3Pd10)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1758287.  https://www.osti.gov/servlets/purl/1758287. Pub date:Thu Sep 03 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1758287,

  title        = {Materials Data on Nd3(Si3Pd10)2 by Materials Project},

  
  abstractNote = {Nd3Pd20Si6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to sixteen Pd atoms to form distorted NdPd16 tetrahedra that share edges with six equivalent NdPd16 tetrahedra and faces with four equivalent NdPd12 cuboctahedra. There are four shorter (2.91 Å) and twelve longer (3.38 Å) Nd–Pd bond lengths. In the second Nd site, Nd is bonded to twelve equivalent Pd atoms to form distorted face-sharing NdPd12 cuboctahedra. All Nd–Pd bond lengths are 3.04 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 2-coordinate geometry to three Nd and two equivalent Si atoms. Both Pd–Si bond lengths are 2.45 Å. In the second Pd site, Pd is bonded to one Nd and three equivalent Si atoms to form a mixture of edge and corner-sharing PdNdSi3 tetrahedra. All Pd–Si bond lengths are 2.49 Å. Si is bonded in a 8-coordinate geometry to eight Pd atoms.},

  doi          = {10.17188/1758287},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Sep 03 00:00:00 EDT 2020},

  month        = {Thu Sep 03 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1758287

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Ce3(Si3Pd10)2 by Materials Project

Dataset

Ce3Pd20Si6 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 2-coordinate geometry to six Pd and one Si atom. There are a spread of Ce–Pd bond distances ranging from 2.62–3.18 Å. The Ce–Si bond length is 3.40 Å. In the second Ce site, Ce is bonded in a 10-coordinate geometry to ten Pd atoms. There are a spread of Ce–Pd bond distances ranging from 2.81–3.10 Å. In the third Ce site, Ce is bonded in a 5-coordinate geometry to six Pd andmore »« less
Materials Data on Ce3(Si3Pd10)2 by Materials Project

Dataset

Ce3Pd20Si6 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a tetrahedral geometry to four Pd atoms. There are three shorter (2.73 Å) and one longer (2.74 Å) Ce–Pd bond lengths. In the second Ce site, Ce is bonded in a tetrahedral geometry to four Pd atoms. There are one shorter (2.73 Å) and three longer (2.74 Å) Ce–Pd bond lengths. In the third Ce site, Ce is bonded in a body-centered cubic geometry to eight Pd atoms. All Ce–Pd bond lengths aremore »« less
Materials Data on U3(Si3Pd10)2 by Materials Project

Dataset

U3Pd20Si6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a distorted tetrahedral geometry to four equivalent Pd atoms. All U–Pd bond lengths are 2.86 Å. In the second U site, U is bonded in a cuboctahedral geometry to twelve equivalent Pd atoms. All U–Pd bond lengths are 3.03 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 2-coordinate geometry to one U and two equivalent Si atoms. Both Pd–Si bond lengths are 2.44 Å.more »« less
Materials Data on Ho3(Si3Pd10)2 by Materials Project

Dataset

Ho3(Pd10Si3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a distorted tetrahedral geometry to four equivalent Pd atoms. All Ho–Pd bond lengths are 2.83 Å. In the second Ho site, Ho is bonded in a cuboctahedral geometry to twelve equivalent Pd atoms. All Ho–Pd bond lengths are 3.00 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to one Ho and three equivalent Si atoms to form a mixture of corner and edge-sharing PdHoSi3 tetrahedra. Allmore »« less
Materials Data on Er3(Si3Pd10)2 by Materials Project

Dataset

Er3(Pd10Si3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a cuboctahedral geometry to twelve equivalent Pd atoms. All Er–Pd bond lengths are 3.01 Å. In the second Er site, Er is bonded in a distorted tetrahedral geometry to four equivalent Pd atoms. All Er–Pd bond lengths are 2.85 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 2-coordinate geometry to one Er and two equivalent Si atoms. Both Pd–Si bond lengths are 2.42 Å.more »« less

Similar Records