Materials Data on Ti3Sn by Materials Project

doi:10.17188/1317447

Title: Materials Data on Ti3Sn by Materials Project

Dataset
Other Related Research

Abstract

Ti3Sn is alpha bismuth trifluoride structured and 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 to four equivalent Ti and four equivalent Sn atoms to form a mixture of distorted corner, edge, and face-sharing TiTi4Sn4 tetrahedra. All Ti–Ti bond lengths are 2.86 Å. All Ti–Sn bond lengths are 2.86 Å. In the second Ti site, Ti is bonded in a 8-coordinate geometry to eight equivalent Ti and six equivalent Sn atoms. All Ti–Sn bond lengths are 3.31 Å. Sn is bonded in a distorted body-centered cubic geometry to fourteen Ti atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-24

Other Number(s):: mp-998982

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; Ti3Sn; Sn-Ti

OSTI Identifier:: 1317447

DOI:: https://doi.org/10.17188/1317447

Citation Formats


                    The Materials Project. Materials Data on Ti3Sn by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1317447.

Copy to clipboard


                    The Materials Project. Materials Data on Ti3Sn by Materials Project.  United States.  doi:https://doi.org/10.17188/1317447

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Ti3Sn by Materials Project".  United States.  doi:https://doi.org/10.17188/1317447.  https://www.osti.gov/servlets/purl/1317447. Pub date:Fri Jul 24 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1317447,

  title        = {Materials Data on Ti3Sn by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ti3Sn is alpha bismuth trifluoride structured and 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 to four equivalent Ti and four equivalent Sn atoms to form a mixture of distorted corner, edge, and face-sharing TiTi4Sn4 tetrahedra. All Ti–Ti bond lengths are 2.86 Å. All Ti–Sn bond lengths are 2.86 Å. In the second Ti site, Ti is bonded in a 8-coordinate geometry to eight equivalent Ti and six equivalent Sn atoms. All Ti–Sn bond lengths are 3.31 Å. Sn is bonded in a distorted body-centered cubic geometry to fourteen Ti atoms.},

  doi          = {10.17188/1317447},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1317447

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Ti3Sn by Materials Project

Dataset The Materials Project

Ti3Sn is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Sn atoms to form distorted TiTi8Sn4 cuboctahedra that share corners with four equivalent SnTi12 cuboctahedra, corners with fourteen equivalent TiTi8Sn4 cuboctahedra, edges with six equivalent SnTi12 cuboctahedra, edges with twelve equivalent TiTi8Sn4 cuboctahedra, faces with four equivalent SnTi12 cuboctahedra, and faces with sixteen equivalent TiTi8Sn4 cuboctahedra. There are six shorter (2.91 Å) and two longer (3.00 Å) Ti–Ti bond lengths. There are two shorter (2.94 Å) and two longer (2.96 Å) Ti–Sn bondmore »« less
Materials Data on Ti3Sn by Materials Project

Dataset The Materials Project

Ti3Sn is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Sn atoms to form distorted TiTi8Sn4 cuboctahedra that share corners with twelve equivalent TiTi8Sn4 cuboctahedra, edges with eight equivalent SnTi12 cuboctahedra, edges with sixteen equivalent TiTi8Sn4 cuboctahedra, faces with four equivalent SnTi12 cuboctahedra, and faces with fourteen equivalent TiTi8Sn4 cuboctahedra. All Ti–Ti bond lengths are 2.95 Å. All Ti–Sn bond lengths are 2.95 Å. Sn is bonded to twelve equivalent Ti atoms to form SnTi12 cuboctahedra that share corners with twelve equivalent SnTi12more »« less
Materials Data on Ti3Sn by Materials Project

Dataset The Materials Project

Ti3Sn is beta Cu3Ti-like structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a distorted see-saw-like geometry to eight equivalent Ti and four equivalent Sn atoms. There are a spread of Ti–Ti bond distances ranging from 2.96–3.02 Å. All Ti–Sn bond lengths are 2.88 Å. In the second Ti site, Ti is bonded to eight Ti and four equivalent Sn atoms to form distorted TiTi8Sn4 cuboctahedra that share corners with four equivalent SnTi12 cuboctahedra, corners with ten equivalent TiTi8Sn4 cuboctahedra, edgesmore »« 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.

Similar Records