Materials Data on Ho11(In3Ge2)2 by Materials Project

doi:10.17188/1651438

Title: Materials Data on Ho11(In3Ge2)2 by Materials Project

Dataset
Other Related Research

Abstract

Ho11(In3Ge2)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent Ho sites. In the first Ho site, Ho is bonded in a 7-coordinate geometry to four equivalent In and three Ge atoms. There are two shorter (3.35 Å) and two longer (3.43 Å) Ho–In bond lengths. There are a spread of Ho–Ge bond distances ranging from 3.06–3.21 Å. In the second Ho site, Ho is bonded in a 5-coordinate geometry to four In and three Ge atoms. There are two shorter (3.07 Å) and two longer (3.33 Å) Ho–In bond lengths. All Ho–Ge bond lengths are 2.99 Å. In the third Ho site, Ho is bonded in a 7-coordinate geometry to three In and four Ge atoms. There are one shorter (3.27 Å) and two longer (3.44 Å) Ho–In bond lengths. There are two shorter (2.82 Å) and two longer (3.33 Å) Ho–Ge bond lengths. In the fourth Ho site, Ho is bonded in a 9-coordinate geometry to eight In and one Ge atom. There are four shorter (3.34 Å) and four longer (3.43 Å) Ho–In bond lengths. The Ho–Ge bond length is 3.52 Å. There are two inequivalent In sites. In the firstmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1201298

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; Ho11(In3Ge2)2; Ge-Ho-In

OSTI Identifier:: 1651438

DOI:: https://doi.org/10.17188/1651438

Citation Formats


                    The Materials Project. Materials Data on Ho11(In3Ge2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1651438.

Copy to clipboard


                    The Materials Project. Materials Data on Ho11(In3Ge2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1651438

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Ho11(In3Ge2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1651438.  https://www.osti.gov/servlets/purl/1651438. Pub date:Sat May 02 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1651438,

  title        = {Materials Data on Ho11(In3Ge2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ho11(In3Ge2)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent Ho sites. In the first Ho site, Ho is bonded in a 7-coordinate geometry to four equivalent In and three Ge atoms. There are two shorter (3.35 Å) and two longer (3.43 Å) Ho–In bond lengths. There are a spread of Ho–Ge bond distances ranging from 3.06–3.21 Å. In the second Ho site, Ho is bonded in a 5-coordinate geometry to four In and three Ge atoms. There are two shorter (3.07 Å) and two longer (3.33 Å) Ho–In bond lengths. All Ho–Ge bond lengths are 2.99 Å. In the third Ho site, Ho is bonded in a 7-coordinate geometry to three In and four Ge atoms. There are one shorter (3.27 Å) and two longer (3.44 Å) Ho–In bond lengths. There are two shorter (2.82 Å) and two longer (3.33 Å) Ho–Ge bond lengths. In the fourth Ho site, Ho is bonded in a 9-coordinate geometry to eight In and one Ge atom. There are four shorter (3.34 Å) and four longer (3.43 Å) Ho–In bond lengths. The Ho–Ge bond length is 3.52 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to eight Ho and two In atoms. There are one shorter (2.93 Å) and one longer (3.05 Å) In–In bond lengths. In the second In site, In is bonded in a 11-coordinate geometry to seven Ho and four In atoms. Both In–In bond lengths are 2.96 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to eight Ho atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to nine Ho atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to eight Ho atoms.},

  doi          = {10.17188/1651438},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1651438

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Tb11(In3Ge2)2 by Materials Project

Dataset The Materials Project

Tb11Ge4In6 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent Tb sites. In the first Tb site, Tb is bonded in a 7-coordinate geometry to four equivalent In and three Ge atoms. There are two shorter (3.38 Å) and two longer (3.46 Å) Tb–In bond lengths. There are a spread of Tb–Ge bond distances ranging from 3.09–3.24 Å. In the second Tb site, Tb is bonded in a 5-coordinate geometry to four In and three Ge atoms. There are two shorter (3.11 Å) and two longer (3.36 Å) Tb–In bond lengths. All Tb–Ge bondmore »« less
Materials Data on Er11(In3Ge2)2 by Materials Project

Dataset The Materials Project

Er11(In3Ge2)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent Er sites. In the first Er site, Er is bonded in a 7-coordinate geometry to four equivalent In and three Ge atoms. There are two shorter (3.35 Å) and two longer (3.42 Å) Er–In bond lengths. There are a spread of Er–Ge bond distances ranging from 3.05–3.21 Å. In the second Er site, Er is bonded in a 5-coordinate geometry to four In and three Ge atoms. There are two shorter (3.06 Å) and two longer (3.33 Å) Er–In bond lengths. All Er–Ge bondmore »« less
Materials Data on Sm11(In3Ge2)2 by Materials Project

Dataset The Materials Project

Sm11Ge4In6 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent Sm sites. In the first Sm site, Sm is bonded in a 9-coordinate geometry to eight In and one Ge atom. All Sm–In bond lengths are 3.46 Å. The Sm–Ge bond length is 3.55 Å. In the second Sm site, Sm is bonded to four equivalent In and three Ge atoms to form a mixture of distorted edge, face, and corner-sharing SmIn4Ge3 pentagonal bipyramids. There are two shorter (3.43 Å) and two longer (3.51 Å) Sm–In bond lengths. There are a spread of Sm–Gemore »« less
Materials Data on Y11(In3Ge2)2 by Materials Project

Dataset The Materials Project

Y11(In3Ge2)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent Y sites. In the first Y site, Y is bonded in a 7-coordinate geometry to four equivalent In and three Ge atoms. There are two shorter (3.39 Å) and two longer (3.45 Å) Y–In bond lengths. There are a spread of Y–Ge bond distances ranging from 3.10–3.26 Å. In the second Y site, Y is bonded in a 5-coordinate geometry to four In and three Ge atoms. There are two shorter (3.10 Å) and two longer (3.37 Å) Y–In bond lengths. All Y–Ge bondmore »« less
Materials Data on SrCo2(PO4)2 (SG:2) by Materials Project

Dataset The Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Similar Records