Materials Data on Mn3Ge by Materials Project

doi:10.17188/1694522

Title: Materials Data on Mn3Ge by Materials Project

Dataset
Other Related Research

Abstract

Mn3Ge crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to nine Mn and three equivalent Ge atoms to form distorted MnMn9Ge3 cuboctahedra that share corners with six equivalent GeMn6 cuboctahedra, corners with twelve equivalent MnMn9Ge3 cuboctahedra, edges with six equivalent GeMn6 cuboctahedra, edges with eighteen MnMn9Ge3 cuboctahedra, and faces with twelve MnMn9Ge3 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.49–2.69 Å. There are two shorter (2.59 Å) and one longer (2.60 Å) Mn–Ge bond lengths. In the second Mn site, Mn is bonded to twelve Mn atoms to form MnMn12 cuboctahedra that share corners with six equivalent MnMn12 cuboctahedra, corners with six equivalent GeMn6 cuboctahedra, edges with six equivalent GeMn6 cuboctahedra, edges with eighteen MnMn9Ge3 cuboctahedra, and faces with eighteen MnMn9Ge3 cuboctahedra. There are four shorter (2.68 Å) and two longer (2.69 Å) Mn–Mn bond lengths. Ge is bonded to six equivalent Mn atoms to form distorted GeMn6 cuboctahedra that share corners with eighteen MnMn9Ge3 cuboctahedra, edges with six equivalent GeMn6 cuboctahedra, and edges with eighteen MnMn9Ge3 cuboctahedra.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1222005

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; Mn3Ge; Ge-Mn

OSTI Identifier:: 1694522

DOI:: https://doi.org/10.17188/1694522

Citation Formats


                    The Materials Project. Materials Data on Mn3Ge by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1694522.

Copy to clipboard


                    The Materials Project. Materials Data on Mn3Ge by Materials Project.  United States.  doi:https://doi.org/10.17188/1694522

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Mn3Ge by Materials Project".  United States.  doi:https://doi.org/10.17188/1694522.  https://www.osti.gov/servlets/purl/1694522. Pub date:Sat May 02 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1694522,

  title        = {Materials Data on Mn3Ge by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mn3Ge crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to nine Mn and three equivalent Ge atoms to form distorted MnMn9Ge3 cuboctahedra that share corners with six equivalent GeMn6 cuboctahedra, corners with twelve equivalent MnMn9Ge3 cuboctahedra, edges with six equivalent GeMn6 cuboctahedra, edges with eighteen MnMn9Ge3 cuboctahedra, and faces with twelve MnMn9Ge3 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.49–2.69 Å. There are two shorter (2.59 Å) and one longer (2.60 Å) Mn–Ge bond lengths. In the second Mn site, Mn is bonded to twelve Mn atoms to form MnMn12 cuboctahedra that share corners with six equivalent MnMn12 cuboctahedra, corners with six equivalent GeMn6 cuboctahedra, edges with six equivalent GeMn6 cuboctahedra, edges with eighteen MnMn9Ge3 cuboctahedra, and faces with eighteen MnMn9Ge3 cuboctahedra. There are four shorter (2.68 Å) and two longer (2.69 Å) Mn–Mn bond lengths. Ge is bonded to six equivalent Mn atoms to form distorted GeMn6 cuboctahedra that share corners with eighteen MnMn9Ge3 cuboctahedra, edges with six equivalent GeMn6 cuboctahedra, and edges with eighteen MnMn9Ge3 cuboctahedra.},

  doi          = {10.17188/1694522},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1694522

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Mn3Ge by Materials Project

Dataset The Materials Project

Mn3Ge is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded to eight equivalent Mn and four equivalent Ge atoms to form distorted MnMn8Ge4 cuboctahedra that share corners with twelve equivalent MnMn8Ge4 cuboctahedra, edges with eight equivalent GeMn12 cuboctahedra, edges with sixteen equivalent MnMn8Ge4 cuboctahedra, faces with four equivalent GeMn12 cuboctahedra, and faces with fourteen equivalent MnMn8Ge4 cuboctahedra. All Mn–Mn bond lengths are 2.58 Å. All Mn–Ge bond lengths are 2.58 Å. Ge is bonded to twelve equivalent Mn atoms to form GeMn12 cuboctahedra that share corners with twelve equivalent GeMn12more »« less
Materials Data on Mn3Ge by Materials Project

Dataset The Materials Project

Mn3Ge is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to four equivalent Mn and four equivalent Ge atoms to form a mixture of distorted face, edge, and corner-sharing MnMn4Ge4 tetrahedra. All Mn–Mn bond lengths are 2.50 Å. All Mn–Ge bond lengths are 2.50 Å. In the second Mn site, Mn is bonded in a 8-coordinate geometry to eight equivalent Mn and six equivalent Ge atoms. All Mn–Ge bond lengths are 2.88 Å. Ge is bonded in amore »« less
Materials Data on Mn3Ge by Materials Project

Dataset The Materials Project

Mn3Ge is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Mn sites. In the first Mn site, Mn is bonded to eight Mn and four equivalent Ge atoms to form distorted MnMn8Ge4 cuboctahedra that share corners with four equivalent GeMn12 cuboctahedra, corners with fourteen MnMn8Ge4 cuboctahedra, edges with six equivalent GeMn12 cuboctahedra, edges with twelve MnMn8Ge4 cuboctahedra, faces with four equivalent GeMn12 cuboctahedra, and faces with sixteen MnMn8Ge4 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.51–2.67 Å. There are two shorter (2.59 Å) and twomore »« less
Materials Data on LiMg9B20 by Materials Project

Dataset The Materials Project

LiMg9B20 is hexagonal omega structure-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li is bonded to twelve B atoms to form LiB12 cuboctahedra that share edges with twelve MgB12 cuboctahedra and faces with eight MgB12 cuboctahedra. There are a spread of Li–B bond distances ranging from 2.48–2.50 Å. There are five inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve B atoms to form MgB12 cuboctahedra that share edges with twelve MgB12 cuboctahedra, faces with two equivalent LiB12 cuboctahedra, and faces with six MgB12 cuboctahedra. There are a spread ofmore »« less
Materials Data on Y(CoB)2 by Materials Project

Dataset The Materials Project

YCo2B2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y3+ is bonded in a body-centered cubic geometry to eight equivalent B3- atoms. All Y–B bond lengths are 2.89 Å. Co+1.50+ is bonded to four equivalent B3- atoms to form a mixture of distorted edge and corner-sharing CoB4 tetrahedra. All Co–B bond lengths are 2.00 Å. B3- is bonded in a 4-coordinate geometry to four equivalent Y3+ and four equivalent Co+1.50+ atoms.

Similar Records