Materials Data on Li(NiGe)6 by Materials Project

doi:10.17188/1191464

Title: Materials Data on Li(NiGe)6 by Materials Project

Dataset
Other Related Research

Abstract

Li(NiGe)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to eight Ge atoms to form distorted edge-sharing LiGe8 hexagonal bipyramids. There are two shorter (2.65 Å) and six longer (2.88 Å) Li–Ge bond lengths. In the second Li site, Li is bonded in a hexagonal bipyramidal geometry to eight Ge atoms. There are two shorter (2.66 Å) and six longer (2.85 Å) Li–Ge bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to two equivalent Ni and six Ge atoms. Both Ni–Ni bond lengths are 2.53 Å. There are a spread of Ni–Ge bond distances ranging from 2.43–2.63 Å. In the second Ni site, Ni is bonded in a 10-coordinate geometry to four equivalent Ni and six Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.42–2.60 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to one Li, six Ni, and one Ge atom. The Ge–Ge bond length is 2.54 Å. In the second Ge site, Ge ismore »« less

Authors:: The Materials Project

Publication Date:: Tue May 05 00:00:00 EDT 2020

Other Number(s):: mp-15949

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; Li(NiGe)6; Ge-Li-Ni

OSTI Identifier:: 1191464

DOI:: https://doi.org/10.17188/1191464

Citation Formats


                    The Materials Project. Materials Data on Li(NiGe)6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1191464.

Copy to clipboard


                    The Materials Project. Materials Data on Li(NiGe)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1191464

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Li(NiGe)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1191464.  https://www.osti.gov/servlets/purl/1191464. Pub date:Tue May 05 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1191464,

  title        = {Materials Data on Li(NiGe)6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li(NiGe)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to eight Ge atoms to form distorted edge-sharing LiGe8 hexagonal bipyramids. There are two shorter (2.65 Å) and six longer (2.88 Å) Li–Ge bond lengths. In the second Li site, Li is bonded in a hexagonal bipyramidal geometry to eight Ge atoms. There are two shorter (2.66 Å) and six longer (2.85 Å) Li–Ge bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to two equivalent Ni and six Ge atoms. Both Ni–Ni bond lengths are 2.53 Å. There are a spread of Ni–Ge bond distances ranging from 2.43–2.63 Å. In the second Ni site, Ni is bonded in a 10-coordinate geometry to four equivalent Ni and six Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.42–2.60 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to one Li, six Ni, and one Ge atom. The Ge–Ge bond length is 2.54 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to one Li, six equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.52 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to two equivalent Li and six Ni atoms. In the fourth Ge site, Ge is bonded in a 7-coordinate geometry to one Li and six Ni atoms.},

  doi          = {10.17188/1191464},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue May 05 00:00:00 EDT 2020},

  month        = {Tue May 05 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1191464

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Sc(NiGe)6 by Materials Project

Dataset The Materials Project

Sc(NiGe)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded to twelve equivalent Ni and eight Ge atoms to form distorted corner-sharing ScNi12Ge8 hexagonal bipyramids. All Sc–Ni bond lengths are 3.23 Å. There are two shorter (2.68 Å) and six longer (2.94 Å) Sc–Ge bond lengths. In the second Sc site, Sc is bonded to twelve Ni and eight Ge atoms to form a mixture of distorted face and corner-sharing ScNi12Ge8 hexagonal bipyramids. There are four shorter (3.21 Å) and eight longer (3.22 Å)more »« less
Materials Data on Mg(NiGe)6 by Materials Project

Dataset The Materials Project

Mg(NiGe)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Ni and eight Ge atoms to form distorted face-sharing MgNi12Ge8 hexagonal bipyramids. All Mg–Ni bond lengths are 3.21 Å. There are two shorter (2.66 Å) and six longer (2.95 Å) Mg–Ge bond lengths. Ni is bonded in a 12-coordinate geometry to two equivalent Mg, four equivalent Ni, and six Ge atoms. All Ni–Ni bond lengths are 2.55 Å. There are a spread of Ni–Ge bond distances ranging from 2.45–2.65 Å. There are three inequivalent Ge sites. In the first Ge site, Gemore »« less
Materials Data on Ce(NiGe)2 by Materials Project

Dataset The Materials Project

CeNi2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to eight equivalent Ni and eight equivalent Ge atoms. All Ce–Ni bond lengths are 3.20 Å. All Ce–Ge bond lengths are 3.19 Å. Ni is bonded in a 4-coordinate geometry to four equivalent Ce and four equivalent Ge atoms. All Ni–Ge bond lengths are 2.38 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Ce, four equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.54 Å.
Materials Data on Tb(NiGe)2 by Materials Project

Dataset The Materials Project

TbNi2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to eight equivalent Ni and eight equivalent Ge atoms. All Tb–Ni bond lengths are 3.19 Å. All Tb–Ge bond lengths are 3.15 Å. Ni is bonded in a 4-coordinate geometry to four equivalent Tb and four equivalent Ge atoms. All Ni–Ge bond lengths are 2.36 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Tb, four equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.53 Å.
Materials Data on La(NiGe)2 by Materials Project

Dataset The Materials Project

LaNi2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to eight equivalent Ni and eight equivalent Ge atoms. All La–Ni bond lengths are 3.25 Å. All La–Ge bond lengths are 3.26 Å. Ni is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Ge atoms. All Ni–Ge bond lengths are 2.39 Å. Ge is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.66 Å.

Similar Records