Materials Data on In3(Co10B3)2 by Materials Project

doi:10.17188/1698641

Title: Materials Data on In3(Co10B3)2 by Materials Project

Dataset
Other Related Research

Abstract

In3(Co10B3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Co sites. In the first Co site, Co is bonded in a 4-coordinate geometry to one In and three equivalent B atoms. The Co–In bond length is 2.53 Å. All Co–B bond lengths are 2.08 Å. In the second Co site, Co is bonded in a 2-coordinate geometry to three In and two equivalent B atoms. There are one shorter (2.60 Å) and two longer (2.92 Å) Co–In bond lengths. Both Co–B bond lengths are 2.15 Å. There are two inequivalent In sites. In the first In site, In is bonded to twelve equivalent Co atoms to form face-sharing InCo12 cuboctahedra. In the second In site, In is bonded to sixteen Co atoms to form distorted InCo16 tetrahedra that share edges with six equivalent InCo16 tetrahedra and faces with four equivalent InCo12 cuboctahedra. B is bonded in a 8-coordinate geometry to eight Co atoms.

Publication Date:: 2020-05-03

Other Number(s):: mp-1193971

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; B-Co-In; In3(Co10B3)2; crystal structure

OSTI Identifier:: 1698641

DOI:: https://doi.org/10.17188/1698641

Citation Formats


                    Materials Data on In3(Co10B3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1698641.

Copy to clipboard


                    Materials Data on In3(Co10B3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1698641

Copy to clipboard


                    2020.  
"Materials Data on In3(Co10B3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1698641.  https://www.osti.gov/servlets/purl/1698641. Pub date:Sun May 03 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1698641,

  title        = {Materials Data on In3(Co10B3)2 by Materials Project},

  
  abstractNote = {In3(Co10B3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Co sites. In the first Co site, Co is bonded in a 4-coordinate geometry to one In and three equivalent B atoms. The Co–In bond length is 2.53 Å. All Co–B bond lengths are 2.08 Å. In the second Co site, Co is bonded in a 2-coordinate geometry to three In and two equivalent B atoms. There are one shorter (2.60 Å) and two longer (2.92 Å) Co–In bond lengths. Both Co–B bond lengths are 2.15 Å. There are two inequivalent In sites. In the first In site, In is bonded to twelve equivalent Co atoms to form face-sharing InCo12 cuboctahedra. In the second In site, In is bonded to sixteen Co atoms to form distorted InCo16 tetrahedra that share edges with six equivalent InCo16 tetrahedra and faces with four equivalent InCo12 cuboctahedra. B is bonded in a 8-coordinate geometry to eight Co atoms.},

  doi          = {10.17188/1698641},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1698641

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Al3(Co10B3)2 by Materials Project

Dataset

Co20Al3B6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Co sites. In the first Co site, Co is bonded to one Al and three equivalent B atoms to form a mixture of distorted edge and corner-sharing CoAlB3 tetrahedra. The Co–Al bond length is 2.40 Å. All Co–B bond lengths are 2.06 Å. In the second Co site, Co is bonded in a 2-coordinate geometry to one Al and two equivalent B atoms. The Co–Al bond length is 2.52 Å. Both Co–B bond lengths are 2.10 Å. There are two inequivalent Al sites. Inmore »« less
Materials Data on V3(Co10B3)2 by Materials Project

Dataset

V3(Co10B3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a cuboctahedral geometry to twelve equivalent Co atoms. All V–Co bond lengths are 2.50 Å. In the second V site, V is bonded in a distorted tetrahedral geometry to four equivalent Co atoms. All V–Co bond lengths are 2.35 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to one V and three equivalent B atoms to form a mixture of edge and corner-sharing CoVB3 tetrahedra. Allmore »« less
Materials Data on Mn3(Co10B3)2 by Materials Project

Dataset

Mn3(Co10B3)2 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 twelve equivalent Co atoms to form MnCo12 cuboctahedra that share edges with twenty-four equivalent CoMnCo6B3 tetrahedra and faces with eight equivalent MnCo16 tetrahedra. All Mn–Co bond lengths are 2.46 Å. In the second Mn site, Mn is bonded to sixteen Co atoms to form MnCo16 tetrahedra that share edges with six equivalent MnCo16 tetrahedra, edges with twelve equivalent CoMnCo6B3 tetrahedra, faces with four equivalent MnCo12 cuboctahedra, and faces with four equivalent CoMnCo6B3 tetrahedra.more »« less
Materials Data on Ti3(Co10B3)2 by Materials Project

Dataset

Ti3(Co10B3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a cuboctahedral geometry to twelve equivalent Co atoms. All Ti–Co bond lengths are 2.54 Å. In the second Ti site, Ti is bonded in a distorted tetrahedral geometry to four equivalent Co atoms. All Ti–Co bond lengths are 2.41 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to one Ti and three equivalent B atoms to form a mixture of edge and corner-sharing CoTiB3 tetrahedra. Allmore »« less
Materials Data on In3(PO4)2 by Materials Project

Dataset

In3(PO4)2 crystallizes in the cubic I-43d space group. The structure is three-dimensional. In2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.12 Å) and two longer (2.51 Å) In–O bond lengths. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.55 Å) and one longer (1.58 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent In2+ and one P5+ atom. In the second O2- site, O2- is bonded inmore »« less

Similar Records