Materials Data on Nd(Mg10Ni)2 by Materials Project

doi:10.17188/1749622

Title: Materials Data on Nd(Mg10Ni)2 by Materials Project

Dataset
Other Related Research

Abstract

Nd(Mg10Ni)2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to ten Mg, one Nd, and one Ni atom. There are a spread of Mg–Mg bond distances ranging from 2.98–3.41 Å. The Mg–Nd bond length is 3.54 Å. The Mg–Ni bond length is 3.00 Å. In the second Mg site, Mg is bonded in a distorted linear geometry to six Mg and two equivalent Ni atoms. There are two shorter (2.97 Å) and two longer (3.08 Å) Mg–Mg bond lengths. Both Mg–Ni bond lengths are 2.80 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to twelve Mg and two equivalent Nd atoms. There are four shorter (3.39 Å) and four longer (3.40 Å) Mg–Mg bond lengths. Both Mg–Nd bond lengths are 3.43 Å. In the fourth Mg site, Mg is bonded in a distorted linear geometry to six Mg and two equivalent Ni atoms. All Mg–Mg bond lengths are 3.12 Å. Both Mg–Ni bond lengths are 2.81 Å. In the fifth Mg site, Mg is bonded to ten Mg, one Nd, and one Ni atommore »« less

Publication Date:: 2020-05-02

Other Number(s):: mp-1195878

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; Mg-Nd-Ni; Nd(Mg10Ni)2; crystal structure

OSTI Identifier:: 1749622

DOI:: https://doi.org/10.17188/1749622

Citation Formats


                    Materials Data on Nd(Mg10Ni)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1749622.

Copy to clipboard


                    Materials Data on Nd(Mg10Ni)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1749622

Copy to clipboard


                    2020.  
"Materials Data on Nd(Mg10Ni)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1749622.  https://www.osti.gov/servlets/purl/1749622. Pub date:Sat May 02 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1749622,

  title        = {Materials Data on Nd(Mg10Ni)2 by Materials Project},

  
  abstractNote = {Nd(Mg10Ni)2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to ten Mg, one Nd, and one Ni atom. There are a spread of Mg–Mg bond distances ranging from 2.98–3.41 Å. The Mg–Nd bond length is 3.54 Å. The Mg–Ni bond length is 3.00 Å. In the second Mg site, Mg is bonded in a distorted linear geometry to six Mg and two equivalent Ni atoms. There are two shorter (2.97 Å) and two longer (3.08 Å) Mg–Mg bond lengths. Both Mg–Ni bond lengths are 2.80 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to twelve Mg and two equivalent Nd atoms. There are four shorter (3.39 Å) and four longer (3.40 Å) Mg–Mg bond lengths. Both Mg–Nd bond lengths are 3.43 Å. In the fourth Mg site, Mg is bonded in a distorted linear geometry to six Mg and two equivalent Ni atoms. All Mg–Mg bond lengths are 3.12 Å. Both Mg–Ni bond lengths are 2.81 Å. In the fifth Mg site, Mg is bonded to ten Mg, one Nd, and one Ni atom to form distorted MgNdMg10Ni cuboctahedra that share corners with fourteen equivalent MgNdMg10Ni cuboctahedra, an edgeedge with one MgNdMg10Ni cuboctahedra, edges with three equivalent NiMg12 cuboctahedra, a faceface with one NiMg12 cuboctahedra, and faces with eight equivalent MgNdMg10Ni cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.98–3.17 Å. The Mg–Nd bond length is 3.53 Å. The Mg–Ni bond length is 3.05 Å. Nd is bonded in a 4-coordinate geometry to sixteen Mg atoms. Ni is bonded to twelve Mg atoms to form NiMg12 cuboctahedra that share corners with six equivalent NiMg12 cuboctahedra, edges with twelve equivalent MgNdMg10Ni cuboctahedra, and faces with four equivalent MgNdMg10Ni cuboctahedra.},

  doi          = {10.17188/1749622},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1749622

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Nd(CuGe)2 by Materials Project

Dataset

NdCu2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to eight equivalent Cu and eight equivalent Ge atoms. All Nd–Cu bond lengths are 3.31 Å. All Nd–Ge bond lengths are 3.19 Å. Cu is bonded to four equivalent Nd and four equivalent Ge atoms to form a mixture of distorted edge, corner, and face-sharing CuNd4Ge4 tetrahedra. All Cu–Ge bond lengths are 2.46 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Nd, four equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.52 Å.
Materials Data on Nd(SiPd)2 by Materials Project

Dataset

Nd(PdSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd2+ is bonded to eight equivalent Si4- atoms to form NdSi8 hexagonal bipyramids that share corners with sixteen equivalent PdSi4 tetrahedra, edges with four equivalent NdSi8 hexagonal bipyramids, edges with eight equivalent PdSi4 tetrahedra, and faces with four equivalent NdSi8 hexagonal bipyramids. All Nd–Si bond lengths are 3.23 Å. Pd3+ is bonded to four equivalent Si4- atoms to form PdSi4 tetrahedra that share corners with eight equivalent NdSi8 hexagonal bipyramids, corners with four equivalent PdSi4 tetrahedra, edges with four equivalent NdSi8 hexagonal bipyramids, and edges with four equivalentmore »« less
Materials Data on Nd(CuO2)2 by Materials Project

Dataset

Nd(CuO2)2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.47 Å) and four longer (2.48 Å) Nd–O bond lengths. Cu+2.50+ is bonded in a square co-planar geometry to four equivalent O2- atoms. There is two shorter (1.90 Å) and two longer (1.92 Å) Cu–O bond length. O2- is bonded to two equivalent Nd3+ and two equivalent Cu+2.50+ atoms to form a mixture of distorted corner and edge-sharing ONd2Cu2 tetrahedra.
Materials Data on Nd(GePd)2 by Materials Project

Dataset

NdPd2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to eight equivalent Pd and eight equivalent Ge atoms. All Nd–Pd bond lengths are 3.36 Å. All Nd–Ge bond lengths are 3.32 Å. Pd is bonded in a 4-coordinate geometry to four equivalent Nd and four equivalent Ge atoms. All Pd–Ge bond lengths are 2.54 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Nd, four equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.49 Å.
Materials Data on Nd(GeRh)2 by Materials Project

Dataset

NdRh2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to eight equivalent Rh and eight equivalent Ge atoms. All Nd–Rh bond lengths are 3.37 Å. All Nd–Ge bond lengths are 3.24 Å. Rh is bonded to four equivalent Nd and four equivalent Ge atoms to form a mixture of distorted edge, corner, and face-sharing RhNd4Ge4 tetrahedra. All Rh–Ge bond lengths are 2.48 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Nd, four equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.62 Å.

Similar Records