Materials Data on Mg6Cu16Si7 by Materials Project

doi:10.17188/1197059

Title: Materials Data on Mg6Cu16Si7 by Materials Project

Full Record
Other Related Research

Abstract

Mg6Cu16Si7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg2+ is bonded in a distorted square co-planar geometry to four equivalent Si4- atoms. All Mg–Si bond lengths are 2.97 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Cu–Si bond lengths are 2.38 Å. In the second Cu1+ site, Cu1+ is bonded to four Si4- atoms to form a mixture of distorted corner and edge-sharing CuSi4 tetrahedra. There are one shorter (2.42 Å) and three longer (2.56 Å) Cu–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded to four equivalent Mg2+ and eight Cu1+ atoms to form a mixture of corner and face-sharing SiMg4Cu8 cuboctahedra. In the second Si4- site, Si4- is bonded in a body-centered cubic geometry to eight equivalent Cu1+ atoms.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

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)

Contributing Org.:: MIT; UC Berkeley; Duke; U Louvain

OSTI Identifier:: 1197059

Report Number(s):: mp-21612

DOE Contract Number:: AC02-05CH11231; EDCBEE

Resource Type:: Data

Resource Relation:: Related Information: https://materialsproject.org/citing

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; crystal structure; Mg6Cu16Si7; Cu-Mg-Si

Citation Formats


                    The Materials Project. Materials Data on Mg6Cu16Si7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197059.

Copy to clipboard


                    The Materials Project. Materials Data on Mg6Cu16Si7 by Materials Project.  United States.  https://doi.org/10.17188/1197059

Copy to clipboard


                    The Materials Project. 2020.  
        "Materials Data on Mg6Cu16Si7 by Materials Project".  United States.  https://doi.org/10.17188/1197059.  https://www.osti.gov/servlets/purl/1197059.

Copy to clipboard


                    
@article{osti_1197059,

  title        = {Materials Data on Mg6Cu16Si7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg6Cu16Si7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg2+ is bonded in a distorted square co-planar geometry to four equivalent Si4- atoms. All Mg–Si bond lengths are 2.97 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Cu–Si bond lengths are 2.38 Å. In the second Cu1+ site, Cu1+ is bonded to four Si4- atoms to form a mixture of distorted corner and edge-sharing CuSi4 tetrahedra. There are one shorter (2.42 Å) and three longer (2.56 Å) Cu–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded to four equivalent Mg2+ and eight Cu1+ atoms to form a mixture of corner and face-sharing SiMg4Cu8 cuboctahedra. In the second Si4- site, Si4- is bonded in a body-centered cubic geometry to eight equivalent Cu1+ atoms.},

  doi          = {10.17188/1197059},

  url          = {https://www.osti.gov/biblio/1197059},
  journal      = {},
number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

https://doi.org/10.17188/1197059

Save / Share:

Export Metadata

Save to My Library

Similar records in OSTI.GOV collections:

Materials Data on U3(CuSi)4 by Materials Project

Dataset

U3Cu4Si4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent U4+ sites. In the first U4+ site, U4+ 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 CuSi4 tetrahedra, edges with two equivalent USi6 pentagonal pyramids, edges with four equivalent CuSi4 tetrahedra, and faces with two equivalent USi6 pentagonal pyramids. There are four shorter (3.01 Å) and two longer (3.04 Å) U–Si bond lengths. In the second U4+ site, U4+ is bonded in a distorted body-centered cubic geometrymore »« less
https://doi.org/10.17188/1729408

View Dataset
Materials Data on Mg4Al9Cu(SiO4)9 by Materials Project

Dataset

Mg4CuAl9(SiO4)9 crystallizes in the monoclinic P2 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with two AlO4 tetrahedra, corners with four SiO4 tetrahedra, an edgeedge with one SiO4 tetrahedra, and edges with two AlO4 tetrahedra. There are a spread of Mg–O bond distances ranging from 2.08–2.17 Å. In the second Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with two AlO4 tetrahedra, corners with four SiO4 tetrahedra, and edgesmore »« less
https://doi.org/10.17188/1284797

View Dataset
Materials Data on U2Cu3Si4Ni by Materials Project

Dataset

U2NiCu3Si4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. U5+ is bonded in a distorted body-centered cubic geometry to eight Si4- atoms. There are four shorter (3.02 Å) and four longer (3.03 Å) U–Si bond lengths. Ni2+ is bonded to four equivalent Si4- atoms to form NiSi4 tetrahedra that share corners with four equivalent NiSi4 tetrahedra and edges with four equivalent CuSi4 tetrahedra. All Ni–Si bond lengths are 2.34 Å. There are two inequivalent Cu+1.33+ sites. In the first Cu+1.33+ site, Cu+1.33+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharingmore »« less
https://doi.org/10.17188/1750444

View Dataset
Materials Data on Eu2Cu4Si3Ge by Materials Project

Dataset

Eu2Cu4GeSi3 crystallizes in the tetragonal P4mm space group. The structure is two-dimensional and consists of one Eu2Cu4GeSi3 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. All Eu–Si bond lengths are 3.18 Å. In the second Eu2+ site, Eu2+ is bonded to eight Si4- atoms to form EuSi8 hexagonal bipyramids that share corners with eight equivalent CuSi4 tetrahedra, edges with four equivalent EuSi8 hexagonal bipyramids, edges with four equivalent CuSi4 tetrahedra, and faces with four equivalent EuSi8 hexagonalmore »« less
https://doi.org/10.17188/1687405

View Dataset
Materials Data on Zr3(Cu2Si3)2 by Materials Project

Dataset

Zr3Cu4Si6 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si+2.67- atoms. All Zr–Si bond lengths are 2.88 Å. In the second Zr4+ site, Zr4+ is bonded in a 8-coordinate geometry to eight Si+2.67- atoms. There are four shorter (2.77 Å) and four longer (2.83 Å) Zr–Si bond lengths. Cu1+ is bonded to four Si+2.67- atoms to form a mixture of edge and corner-sharing CuSi4 tetrahedra. There are two shorter (2.34 Å) and two longermore »« less
https://doi.org/10.17188/1202108

View Dataset

Similar Records