Materials Data on HoGa3 by Materials Project

doi:10.17188/1276018

Title: Materials Data on HoGa3 by Materials Project

Dataset
Other Related Research

Abstract

HoGa3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to twelve Ga atoms to form a mixture of face and corner-sharing HoGa12 cuboctahedra. There are six shorter (2.98 Å) and six longer (3.09 Å) Ho–Ga bond lengths. In the second Ho site, Ho is bonded to twelve Ga atoms to form a mixture of face and corner-sharing HoGa12 cuboctahedra. There are a spread of Ho–Ga bond distances ranging from 3.01–3.08 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to four Ho and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.92–3.08 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to four Ho and six Ga atoms. Both Ga–Ga bond lengths are 2.71 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-20

Other Number(s):: mp-570953

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; HoGa3; Ga-Ho

OSTI Identifier:: 1276018

DOI:: https://doi.org/10.17188/1276018

Citation Formats


                    The Materials Project. Materials Data on HoGa3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1276018.

Copy to clipboard


                    The Materials Project. Materials Data on HoGa3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1276018

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on HoGa3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1276018.  https://www.osti.gov/servlets/purl/1276018. Pub date:Mon Jul 20 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1276018,

  title        = {Materials Data on HoGa3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {HoGa3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to twelve Ga atoms to form a mixture of face and corner-sharing HoGa12 cuboctahedra. There are six shorter (2.98 Å) and six longer (3.09 Å) Ho–Ga bond lengths. In the second Ho site, Ho is bonded to twelve Ga atoms to form a mixture of face and corner-sharing HoGa12 cuboctahedra. There are a spread of Ho–Ga bond distances ranging from 3.01–3.08 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to four Ho and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.92–3.08 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to four Ho and six Ga atoms. Both Ga–Ga bond lengths are 2.71 Å.},

  doi          = {10.17188/1276018},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1276018

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on HoGa3 by Materials Project

Dataset The Materials Project

HoGa3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded to twelve equivalent Ga atoms to form HoGa12 cuboctahedra that share corners with twelve equivalent HoGa12 cuboctahedra, edges with twenty-four equivalent GaHo4Ga8 cuboctahedra, faces with six equivalent HoGa12 cuboctahedra, and faces with twelve equivalent GaHo4Ga8 cuboctahedra. All Ho–Ga bond lengths are 3.01 Å. Ga is bonded to four equivalent Ho and eight equivalent Ga atoms to form distorted GaHo4Ga8 cuboctahedra that share corners with twelve equivalent GaHo4Ga8 cuboctahedra, edges with eight equivalent HoGa12 cuboctahedra, edges with sixteen equivalent GaHo4Ga8 cuboctahedra,more »« less
Materials Data on HoGa3 by Materials Project

Dataset The Materials Project

HoGa3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded to twelve Ga atoms to form HoGa12 cuboctahedra that share corners with six equivalent GaHo4Ga8 cuboctahedra, corners with nine HoGa12 cuboctahedra, edges with twelve equivalent GaHo4Ga8 cuboctahedra, faces with seven HoGa12 cuboctahedra, and faces with nine equivalent GaHo4Ga8 cuboctahedra. There are a spread of Ho–Ga bond distances ranging from 3.01–3.05 Å. In the second Ho site, Ho is bonded to twelve Ga atoms to form HoGa12 cuboctahedra that share corners with twelve HoGa12 cuboctahedra,more »« less
Materials Data on HoGa3 by Materials Project

Dataset The Materials Project

HoGa3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ho is bonded to twelve equivalent Ga atoms to form a mixture of distorted corner and face-sharing HoGa12 cuboctahedra. There are six shorter (3.04 Å) and six longer (3.13 Å) Ho–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to four equivalent Ho and six equivalent Ga atoms. There are two shorter (2.80 Å) and four longer (2.81 Å) Ga–Ga bond lengths.
Materials Data on HoGa3 by Materials Project

Dataset The Materials Project

HoGa3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to twelve Ga atoms to form a mixture of corner and face-sharing HoGa12 cuboctahedra. There are six shorter (3.08 Å) and six longer (3.10 Å) Ho–Ga bond lengths. In the second Ho site, Ho is bonded to twelve Ga atoms to form a mixture of corner and face-sharing HoGa12 cuboctahedra. There are six shorter (2.97 Å) and six longer (3.08 Å) Ho–Ga bond lengths. There are two inequivalent Ga sites. In the first Gamore »« 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