Materials Data on K3Mn by Materials Project

doi:10.17188/1676691

Title: Materials Data on K3Mn by Materials Project

Dataset
Other Related Research

Abstract

K3Mn is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K is bonded to eight equivalent K and four equivalent Mn atoms to form distorted KK8Mn4 cuboctahedra that share corners with twelve equivalent KK8Mn4 cuboctahedra, edges with eight equivalent MnK12 cuboctahedra, edges with sixteen equivalent KK8Mn4 cuboctahedra, faces with four equivalent MnK12 cuboctahedra, and faces with fourteen equivalent KK8Mn4 cuboctahedra. All K–K bond lengths are 4.06 Å. All K–Mn bond lengths are 4.06 Å. Mn is bonded to twelve equivalent K atoms to form MnK12 cuboctahedra that share corners with twelve equivalent MnK12 cuboctahedra, edges with twenty-four equivalent KK8Mn4 cuboctahedra, faces with six equivalent MnK12 cuboctahedra, and faces with twelve equivalent KK8Mn4 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1184901

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; K3Mn; K-Mn

OSTI Identifier:: 1676691

DOI:: https://doi.org/10.17188/1676691

Citation Formats


                    The Materials Project. Materials Data on K3Mn by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1676691.

Copy to clipboard


                    The Materials Project. Materials Data on K3Mn by Materials Project.  United States.  doi:https://doi.org/10.17188/1676691

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on K3Mn by Materials Project".  United States.  doi:https://doi.org/10.17188/1676691.  https://www.osti.gov/servlets/purl/1676691. Pub date:Sun May 03 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1676691,

  title        = {Materials Data on K3Mn by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K3Mn is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K is bonded to eight equivalent K and four equivalent Mn atoms to form distorted KK8Mn4 cuboctahedra that share corners with twelve equivalent KK8Mn4 cuboctahedra, edges with eight equivalent MnK12 cuboctahedra, edges with sixteen equivalent KK8Mn4 cuboctahedra, faces with four equivalent MnK12 cuboctahedra, and faces with fourteen equivalent KK8Mn4 cuboctahedra. All K–K bond lengths are 4.06 Å. All K–Mn bond lengths are 4.06 Å. Mn is bonded to twelve equivalent K atoms to form MnK12 cuboctahedra that share corners with twelve equivalent MnK12 cuboctahedra, edges with twenty-four equivalent KK8Mn4 cuboctahedra, faces with six equivalent MnK12 cuboctahedra, and faces with twelve equivalent KK8Mn4 cuboctahedra.},

  doi          = {10.17188/1676691},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1676691

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on K3Mn(CN)6 by Materials Project

Dataset The Materials Project

K3Mn(CN)6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of two manganese molecules and one K(CN)2 framework. In the K(CN)2 framework, there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in an octahedral geometry to six N3- atoms. There are a spread of K–N bond distances ranging from 2.86–3.02 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of K–N bond distances ranging from 2.87–3.30 Å. There are three inequivalent C2+ sites. In the first C2+ site, C2+more »« less
Materials Data on K3Mn by Materials Project

Dataset The Materials Project

K3Mn is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to four equivalent K and four equivalent Mn atoms to form distorted KK4Mn4 cuboctahedra that share corners with eight equivalent MnK12 cuboctahedra, corners with sixteen KK4Mn4 cuboctahedra, edges with four equivalent MnK12 cuboctahedra, edges with sixteen KK4Mn4 cuboctahedra, and faces with six equivalent KK4Mn4 cuboctahedra. All K–K bond lengths are 4.08 Å. All K–Mn bond lengths are 4.08 Å. In the second K site, K is bonded tomore »« less
Materials Data on K3Mn by Materials Project

Dataset The Materials Project

K3Mn crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a distorted water-like geometry to two equivalent Mn atoms. Both K–Mn bond lengths are 3.87 Å. In the second K site, K is bonded in a square co-planar geometry to four equivalent Mn atoms. All K–Mn bond lengths are 4.09 Å. Mn is bonded to eight K atoms to form a mixture of distorted edge and corner-sharing MnK8 hexagonal bipyramids.
Materials Data on K3Mn by Materials Project

Dataset The Materials Project

K3Mn is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to four equivalent K and four equivalent Mn atoms to form a mixture of distorted edge, corner, and face-sharing KK4Mn4 tetrahedra. All K–K bond lengths are 3.98 Å. All K–Mn bond lengths are 3.98 Å. In the second K site, K is bonded in a body-centered cubic geometry to eight equivalent K atoms. Mn is bonded in a body-centered cubic geometry to eight equivalent K atoms.
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

Similar Records