Materials Data on KTm by Materials Project

doi:10.17188/1314436

Title: Materials Data on KTm by Materials Project

Dataset
Other Related Research

Abstract

KTm is alpha Samarium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. K is bonded to six equivalent K and six equivalent Tm atoms to form KK6Tm6 cuboctahedra that share corners with eighteen equivalent KK6Tm6 cuboctahedra, edges with six equivalent KK6Tm6 cuboctahedra, edges with twelve equivalent TmK6Tm6 cuboctahedra, faces with eight equivalent KK6Tm6 cuboctahedra, and faces with twelve equivalent TmK6Tm6 cuboctahedra. All K–K bond lengths are 3.60 Å. All K–Tm bond lengths are 4.14 Å. Tm is bonded to six equivalent K and six equivalent Tm atoms to form TmK6Tm6 cuboctahedra that share corners with eighteen equivalent TmK6Tm6 cuboctahedra, edges with six equivalent TmK6Tm6 cuboctahedra, edges with twelve equivalent KK6Tm6 cuboctahedra, faces with eight equivalent TmK6Tm6 cuboctahedra, and faces with twelve equivalent KK6Tm6 cuboctahedra. All Tm–Tm bond lengths are 3.60 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-21

Other Number(s):: mp-974062

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; KTm; K-Tm

OSTI Identifier:: 1314436

DOI:: https://doi.org/10.17188/1314436

Citation Formats


                    The Materials Project. Materials Data on KTm by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1314436.

Copy to clipboard


                    The Materials Project. Materials Data on KTm by Materials Project.  United States.  doi:https://doi.org/10.17188/1314436

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on KTm by Materials Project".  United States.  doi:https://doi.org/10.17188/1314436.  https://www.osti.gov/servlets/purl/1314436. Pub date:Tue Jul 21 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1314436,

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

  author       = {The Materials Project},

  abstractNote = {KTm is alpha Samarium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. K is bonded to six equivalent K and six equivalent Tm atoms to form KK6Tm6 cuboctahedra that share corners with eighteen equivalent KK6Tm6 cuboctahedra, edges with six equivalent KK6Tm6 cuboctahedra, edges with twelve equivalent TmK6Tm6 cuboctahedra, faces with eight equivalent KK6Tm6 cuboctahedra, and faces with twelve equivalent TmK6Tm6 cuboctahedra. All K–K bond lengths are 3.60 Å. All K–Tm bond lengths are 4.14 Å. Tm is bonded to six equivalent K and six equivalent Tm atoms to form TmK6Tm6 cuboctahedra that share corners with eighteen equivalent TmK6Tm6 cuboctahedra, edges with six equivalent TmK6Tm6 cuboctahedra, edges with twelve equivalent KK6Tm6 cuboctahedra, faces with eight equivalent TmK6Tm6 cuboctahedra, and faces with twelve equivalent KK6Tm6 cuboctahedra. All Tm–Tm bond lengths are 3.60 Å.},

  doi          = {10.17188/1314436},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1314436

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on KTm(MoO4)2 by Materials Project

Dataset The Materials Project

KTm(MoO4)2 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.72–2.89 Å. Tm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.26–2.52 Å. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.76–1.87 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planarmore »« less
Materials Data on KTm(SO5)2 by Materials Project

Dataset The Materials Project

KTm(SO5)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.64–3.33 Å. Tm is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Tm–O bond distances ranging from 2.24–2.47 Å. There are two inequivalent S sites. In the first S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.45–1.52 Å. In the second S site, S is bondedmore »« less
Materials Data on KTm(MoO4)2 by Materials Project

Dataset The Materials Project

KTm(MoO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of K–O bond distances ranging from 2.76–3.35 Å. Tm3+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.25–2.70 Å. Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.79–2.40 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometrymore »« less
Materials Data on KTm(CO3)2 by Materials Project

Dataset The Materials Project

KTm(CO3)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.80–3.24 Å. Tm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.25–2.48 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.28–1.32 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linearmore »« 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

Similar Records