Materials Data on HfCr2 by Materials Project

doi:10.17188/1307952

Title: Materials Data on HfCr2 by Materials Project

Dataset
Other Related Research

Abstract

HfCr2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to four equivalent Hf and twelve equivalent Cr atoms. All Hf–Hf bond lengths are 3.07 Å. All Hf–Cr bond lengths are 2.94 Å. Cr is bonded to six equivalent Hf and six equivalent Cr atoms to form a mixture of face, edge, and corner-sharing CrHf6Cr6 cuboctahedra. All Cr–Cr bond lengths are 2.51 Å.

Authors:: The Materials Project

Publication Date:: 2017-06-07

Other Number(s):: mp-819

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; HfCr2; Cr-Hf

OSTI Identifier:: 1307952

DOI:: https://doi.org/10.17188/1307952

Citation Formats


                    The Materials Project. Materials Data on HfCr2 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1307952.

Copy to clipboard


                    The Materials Project. Materials Data on HfCr2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1307952

Copy to clipboard


                    The Materials Project. 2017.  
"Materials Data on HfCr2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1307952.  https://www.osti.gov/servlets/purl/1307952. Pub date:Wed Jun 07 00:00:00 EDT 2017

Copy to clipboard


                    
@article{osti_1307952,

  title        = {Materials Data on HfCr2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {HfCr2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to four equivalent Hf and twelve equivalent Cr atoms. All Hf–Hf bond lengths are 3.07 Å. All Hf–Cr bond lengths are 2.94 Å. Cr is bonded to six equivalent Hf and six equivalent Cr atoms to form a mixture of face, edge, and corner-sharing CrHf6Cr6 cuboctahedra. All Cr–Cr bond lengths are 2.51 Å.},

  doi          = {10.17188/1307952},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {6}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1307952

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on HfCr2 by Materials Project

Dataset The Materials Project

HfCr2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to four equivalent Hf and twelve Cr atoms. All Hf–Hf bond lengths are 3.07 Å. There are three shorter (2.89 Å) and nine longer (2.95 Å) Hf–Cr bond lengths. There are two inequivalent Cr sites. In the first Cr site, Cr is bonded to six equivalent Hf and six equivalent Cr atoms to form a mixture of edge, face, and corner-sharing CrHf6Cr6 cuboctahedra. All Cr–Cr bond lengths are 2.50 Å. In the second Cr site, Crmore »« less
Materials Data on HfCr2 by Materials Project

Dataset The Materials Project

HfCr2 is Hexagonal Laves-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are five inequivalent Hf sites. In the first Hf site, Hf is bonded in a 12-coordinate geometry to four Hf and twelve Cr atoms. All Hf–Hf bond lengths are 3.08 Å. There are three shorter (2.91 Å) and nine longer (2.95 Å) Hf–Cr bond lengths. In the second Hf site, Hf is bonded in a 12-coordinate geometry to four Hf and twelve Cr atoms. All Hf–Hf bond lengths are 3.08 Å. There are three shorter (2.91 Å) and nine longer (2.95 Å)more »« 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
Materials Data on Y(CoB)2 by Materials Project

Dataset The Materials Project

YCo2B2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y3+ is bonded in a body-centered cubic geometry to eight equivalent B3- atoms. All Y–B bond lengths are 2.89 Å. Co+1.50+ is bonded to four equivalent B3- atoms to form a mixture of distorted edge and corner-sharing CoB4 tetrahedra. All Co–B bond lengths are 2.00 Å. B3- is bonded in a 4-coordinate geometry to four equivalent Y3+ and four equivalent Co+1.50+ atoms.
Materials Data on Sr2H5Rh by Materials Project

Dataset The Materials Project

Sr2RhH5 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sr is bonded in a distorted q6 geometry to ten H atoms. There are a spread of Sr–H bond distances ranging from 2.68–2.75 Å. Rh is bonded in a square pyramidal geometry to five H atoms. There is four shorter (1.69 Å) and one longer (1.80 Å) Rh–H bond length. There are two inequivalent H sites. In the first H site, H is bonded to four equivalent Sr and one Rh atom to form a mixture of corner, edge, and face-sharing HSr4Rh square pyramids. In the second Hmore »« less

Similar Records