Materials Data on Sc5(In2Co)2 by Materials Project

doi:10.17188/1723476

Title: Materials Data on Sc5(In2Co)2 by Materials Project

Dataset
Other Related Research

Abstract

Sc5(CoIn2)2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are three inequivalent Sc sites. In the first Sc site, Sc is bonded in a 8-coordinate geometry to eight In atoms. There are four shorter (3.06 Å) and four longer (3.17 Å) Sc–In bond lengths. In the second Sc site, Sc is bonded in a 2-coordinate geometry to two equivalent Co and six In atoms. Both Sc–Co bond lengths are 2.56 Å. There are a spread of Sc–In bond distances ranging from 3.00–3.25 Å. In the third Sc site, Sc is bonded in a 10-coordinate geometry to four Co and six In atoms. There are two shorter (2.76 Å) and two longer (2.77 Å) Sc–Co bond lengths. There are a spread of Sc–In bond distances ranging from 3.07–3.21 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 6-coordinate geometry to six Sc and three In atoms. There are a spread of Co–In bond distances ranging from 2.79–3.08 Å. In the second Co site, Co is bonded in a 6-coordinate geometry to six Sc and three In atoms. Both Co–Sc bond lengths are 2.56 Å. There are a spread ofmore »« less

Authors:: The Materials Project

Publication Date:: Mon May 04 00:00:00 EDT 2020

Other Number(s):: mp-1190710

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; Sc5(In2Co)2; Co-In-Sc

OSTI Identifier:: 1723476

DOI:: https://doi.org/10.17188/1723476

Citation Formats


                    The Materials Project. Materials Data on Sc5(In2Co)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1723476.

Copy to clipboard


                    The Materials Project. Materials Data on Sc5(In2Co)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1723476

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Sc5(In2Co)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1723476.  https://www.osti.gov/servlets/purl/1723476. Pub date:Mon May 04 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1723476,

  title        = {Materials Data on Sc5(In2Co)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sc5(CoIn2)2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are three inequivalent Sc sites. In the first Sc site, Sc is bonded in a 8-coordinate geometry to eight In atoms. There are four shorter (3.06 Å) and four longer (3.17 Å) Sc–In bond lengths. In the second Sc site, Sc is bonded in a 2-coordinate geometry to two equivalent Co and six In atoms. Both Sc–Co bond lengths are 2.56 Å. There are a spread of Sc–In bond distances ranging from 3.00–3.25 Å. In the third Sc site, Sc is bonded in a 10-coordinate geometry to four Co and six In atoms. There are two shorter (2.76 Å) and two longer (2.77 Å) Sc–Co bond lengths. There are a spread of Sc–In bond distances ranging from 3.07–3.21 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 6-coordinate geometry to six Sc and three In atoms. There are a spread of Co–In bond distances ranging from 2.79–3.08 Å. In the second Co site, Co is bonded in a 6-coordinate geometry to six Sc and three In atoms. Both Co–Sc bond lengths are 2.56 Å. There are a spread of Co–In bond distances ranging from 2.79–3.08 Å. There are five inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to eight Sc, one Co, and one In atom. The In–In bond length is 3.17 Å. In the second In site, In is bonded in a 9-coordinate geometry to eight Sc, two Co, and three In atoms. The In–Co bond length is 2.79 Å. Both In–In bond lengths are 3.34 Å. In the third In site, In is bonded in a 9-coordinate geometry to eight Sc, two equivalent Co, and three In atoms. There are four shorter (3.07 Å) and two longer (3.21 Å) In–Sc bond lengths. There are one shorter (3.17 Å) and two longer (3.34 Å) In–In bond lengths. In the fourth In site, In is bonded in a 9-coordinate geometry to eight Sc, two equivalent Co, and three In atoms. There are a spread of In–Sc bond distances ranging from 3.07–3.21 Å. There are one shorter (3.17 Å) and two longer (3.34 Å) In–In bond lengths. In the fifth In site, In is bonded in a 9-coordinate geometry to eight Sc, two Co, and three In atoms. There are two shorter (3.07 Å) and two longer (3.17 Å) In–Sc bond lengths. The In–Co bond length is 3.08 Å. There are one shorter (3.17 Å) and two longer (3.34 Å) In–In bond lengths.},

  doi          = {10.17188/1723476},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon May 04 00:00:00 EDT 2020},

  month        = {Mon May 04 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1723476

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Ho3(In2Co)2 by Materials Project

Dataset The Materials Project

Ho3(CoIn2)2 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. Ho is bonded in a 10-coordinate geometry to three Co and seven In atoms. There are two shorter (2.73 Å) and one longer (3.08 Å) Ho–Co bond lengths. There are a spread of Ho–In bond distances ranging from 3.04–3.47 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 6-coordinate geometry to six equivalent Ho and three equivalent In atoms. All Co–In bond lengths are 3.21 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to threemore »« less
Materials Data on Er3(In2Co)2 by Materials Project

Dataset The Materials Project

Er3(CoIn2)2 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. Er is bonded in a 10-coordinate geometry to three Co and seven In atoms. There are two shorter (2.70 Å) and one longer (3.06 Å) Er–Co bond lengths. There are a spread of Er–In bond distances ranging from 3.02–3.44 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 6-coordinate geometry to six equivalent Er and three equivalent In atoms. All Co–In bond lengths are 3.18 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to threemore »« less
Materials Data on Tm3(In2Co)2 by Materials Project

Dataset The Materials Project

Tm3(CoIn2)2 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. Tm is bonded in a 2-coordinate geometry to three Co and eight In atoms. There are two shorter (2.79 Å) and one longer (3.16 Å) Tm–Co bond lengths. There are a spread of Tm–In bond distances ranging from 3.15–3.43 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to three equivalent Tm and six equivalent In atoms. All Co–In bond lengths are 2.70 Å. In the second Co site, Co is bonded in a 6-coordinate geometry to sixmore »« less
Materials Data on Er3(In2Co)2 by Materials Project

Dataset The Materials Project

Er3(CoIn2)2 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. Er is bonded in a 2-coordinate geometry to three Co and eight In atoms. There are two shorter (2.78 Å) and one longer (3.16 Å) Er–Co bond lengths. There are a spread of Er–In bond distances ranging from 3.14–3.43 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent In atoms. All Co–In bond lengths are 2.69 Å. In the second Co site, Co is bonded in a 6-coordinate geometry to sixmore »« less
Materials Data on In2Co(SO)2 by Materials Project

Dataset The Materials Project

CoIn2(SO)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Co2+ is bonded to two equivalent S2- and four equivalent O2- atoms to form corner-sharing CoS2O4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Co–S bond lengths are 2.30 Å. All Co–O bond lengths are 1.97 Å. In3+ is bonded in a 4-coordinate geometry to four equivalent S2- atoms. All In–S bond lengths are 2.79 Å. S2- is bonded in a 1-coordinate geometry to one Co2+, four equivalent In3+, and four equivalent O2- atoms. All S–O bond lengths are 3.03 Å. O2- is bonded in a linearmore »« less

Similar Records