Materials Data on La3(SiNi)4 by Materials Project

doi:10.17188/1274390

Title: Materials Data on La3(SiNi)4 by Materials Project

Dataset
Other Related Research

Abstract

La3Ni4Si4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 6-coordinate geometry to six Si4- atoms. There are two shorter (3.12 Å) and four longer (3.17 Å) La–Si bond lengths. In the second La3+ site, La3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All La–Si bond lengths are 3.18 Å. There are two inequivalent Ni+1.75+ sites. In the first Ni+1.75+ site, Ni+1.75+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing NiSi4 tetrahedra. There are two shorter (2.37 Å) and two longer (2.38 Å) Ni–Si bond lengths. In the second Ni+1.75+ site, Ni+1.75+ is bonded in a trigonal planar geometry to three Si4- atoms. There are two shorter (2.35 Å) and one longer (2.39 Å) Ni–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent La3+ and five Ni+1.75+ atoms. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to six La3+, two equivalent Ni+1.75+, and one Si4- atom. The Si–Si bond lengthmore » is 2.45 Å.« less

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-568370

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; La3(SiNi)4; La-Ni-Si

OSTI Identifier:: 1274390

DOI:: https://doi.org/10.17188/1274390

Citation Formats


                    The Materials Project. Materials Data on La3(SiNi)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274390.

Copy to clipboard


                    The Materials Project. Materials Data on La3(SiNi)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274390

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on La3(SiNi)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274390.  https://www.osti.gov/servlets/purl/1274390. Pub date:Thu Jul 16 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1274390,

  title        = {Materials Data on La3(SiNi)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La3Ni4Si4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 6-coordinate geometry to six Si4- atoms. There are two shorter (3.12 Å) and four longer (3.17 Å) La–Si bond lengths. In the second La3+ site, La3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All La–Si bond lengths are 3.18 Å. There are two inequivalent Ni+1.75+ sites. In the first Ni+1.75+ site, Ni+1.75+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing NiSi4 tetrahedra. There are two shorter (2.37 Å) and two longer (2.38 Å) Ni–Si bond lengths. In the second Ni+1.75+ site, Ni+1.75+ is bonded in a trigonal planar geometry to three Si4- atoms. There are two shorter (2.35 Å) and one longer (2.39 Å) Ni–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent La3+ and five Ni+1.75+ atoms. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to six La3+, two equivalent Ni+1.75+, and one Si4- atom. The Si–Si bond length is 2.45 Å.},

  doi          = {10.17188/1274390},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1274390

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on U3(SiNi)4 by Materials Project

Dataset The Materials Project

U3Ni4Si4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent U3+ sites. In the first U3+ site, U3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All U–Si bond lengths are 2.99 Å. In the second U3+ site, U3+ is bonded to six Si4- atoms to form distorted USi6 pentagonal pyramids that share corners with four equivalent USi6 pentagonal pyramids, corners with eight equivalent NiSi4 tetrahedra, edges with two equivalent USi6 pentagonal pyramids, edges with four equivalent NiSi4 tetrahedra, and faces with two equivalent USi6 pentagonal pyramids. There aremore »« less
Materials Data on Ce3(SiNi)4 by Materials Project

Dataset The Materials Project

Ce3Ni4Si4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded to six Si4- atoms to form distorted CeSi6 pentagonal pyramids that share corners with four equivalent CeSi6 pentagonal pyramids, corners with eight equivalent NiSi4 tetrahedra, edges with two equivalent CeSi6 pentagonal pyramids, edges with four equivalent NiSi4 tetrahedra, and faces with two equivalent CeSi6 pentagonal pyramids. All Ce–Si bond lengths are 3.06 Å. In the second Ce3+ site, Ce3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Ce–Simore »« less
Materials Data on La3(GePd)4 by Materials Project

Dataset The Materials Project

La3Pd4Ge4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 12-coordinate geometry to eight Pd and six Ge atoms. There are a spread of La–Pd bond distances ranging from 3.33–3.41 Å. There are two shorter (3.28 Å) and four longer (3.30 Å) La–Ge bond lengths. In the second La site, La is bonded to four equivalent Pd and eight equivalent Ge atoms to form a mixture of face and edge-sharing LaGe8Pd4 cuboctahedra. All La–Pd bond lengths are 3.25 Å. All La–Ge bondmore »« less
Materials Data on La3(GeRh)4 by Materials Project

Dataset The Materials Project

La3Rh4Ge4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 12-coordinate geometry to eight Rh and six Ge atoms. There are a spread of La–Rh bond distances ranging from 3.20–3.44 Å. There are two shorter (3.22 Å) and four longer (3.29 Å) La–Ge bond lengths. In the second La site, La is bonded to four equivalent Rh and eight equivalent Ge atoms to form a mixture of edge and face-sharing LaGe8Rh4 cuboctahedra. All La–Rh bond lengths are 3.31 Å. All La–Ge bondmore »« less
Materials Data on La3(SiPd)4 by Materials Project

Dataset The Materials Project

La3Pd4Si4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent La+2.67+ sites. In the first La+2.67+ site, La+2.67+ is bonded in a 6-coordinate geometry to six Si4- atoms. There are two shorter (3.24 Å) and four longer (3.28 Å) La–Si bond lengths. In the second La+2.67+ site, La+2.67+ is bonded to eight equivalent Si4- atoms to form a mixture of edge and face-sharing LaSi8 hexagonal bipyramids. All La–Si bond lengths are 3.25 Å. There are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded to four equivalent Si4- atoms to formmore »« less

Similar Records