Materials Data on Th2(SiPt)3 by Materials Project

doi:10.17188/1720374

Title: Materials Data on Th2(SiPt)3 by Materials Project

Dataset
Other Related Research

Abstract

Th2PtSi2Pt2Si is alpha Niobium phosphide-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Pt2Si cluster and one Th2PtSi2 cluster. In the Pt2Si cluster, Pt+1.33+ is bonded in a single-bond geometry to one Si4- atom. The Pt–Si bond length is 2.37 Å. Si4- is bonded in a linear geometry to two equivalent Pt+1.33+ atoms. In the Th2PtSi2 cluster, Th4+ is bonded in a distorted single-bond geometry to one Si4- atom. The Th–Si bond length is 2.99 Å. Pt+1.33+ is bonded in a linear geometry to two equivalent Si4- atoms. Both Pt–Si bond lengths are 2.35 Å. Si4- is bonded in a distorted linear geometry to one Th4+ and one Pt+1.33+ atom.

Publication Date:: Fri Jan 11 23:00:00 EST 2019

Other Number(s):: mp-1206507

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Pt-Si-Th; Th2(SiPt)3; crystal structure

OSTI Identifier:: 1720374

DOI:: https://doi.org/10.17188/1720374

Citation Formats


                    Materials Data on Th2(SiPt)3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1720374.

Copy to clipboard


                    Materials Data on Th2(SiPt)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1720374

Copy to clipboard


                    2019.  
"Materials Data on Th2(SiPt)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1720374.  https://www.osti.gov/servlets/purl/1720374. Pub date:Fri Jan 11 23:00:00 EST 2019

Copy to clipboard


                    
@article{osti_1720374,

  title        = {Materials Data on Th2(SiPt)3 by Materials Project},

  
  abstractNote = {Th2PtSi2Pt2Si is alpha Niobium phosphide-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Pt2Si cluster and one Th2PtSi2 cluster. In the Pt2Si cluster, Pt+1.33+ is bonded in a single-bond geometry to one Si4- atom. The Pt–Si bond length is 2.37 Å. Si4- is bonded in a linear geometry to two equivalent Pt+1.33+ atoms. In the Th2PtSi2 cluster, Th4+ is bonded in a distorted single-bond geometry to one Si4- atom. The Th–Si bond length is 2.99 Å. Pt+1.33+ is bonded in a linear geometry to two equivalent Si4- atoms. Both Pt–Si bond lengths are 2.35 Å. Si4- is bonded in a distorted linear geometry to one Th4+ and one Pt+1.33+ atom.},

  doi          = {10.17188/1720374},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jan 11 23:00:00 EST 2019},

  month        = {Fri Jan 11 23:00:00 EST 2019}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1720374

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Th2(SiIr)3 by Materials Project

Dataset

Th2(IrSi)3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Th is bonded in a 6-coordinate geometry to four equivalent Th, one Ir, and one Si atom. All Th–Th bond lengths are 2.90 Å. The Th–Ir bond length is 2.59 Å. The Th–Si bond length is 3.01 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a linear geometry to one Th and one Si atom. The Ir–Si bond length is 2.32 Å. In the second Ir site, Ir is bonded in a linear geometry to two equivalent Si atoms. Bothmore »« less
Materials Data on Th2(CoP)3 by Materials Project

Dataset

Th2(CoP)3 crystallizes in the tetragonal P4/mmm space group. The structure is one-dimensional and consists of one Th2(CoP)3 ribbon oriented in the (0, 0, 1) direction. Th is bonded in a linear geometry to one Co and one P atom. The Th–Co bond length is 2.07 Å. The Th–P bond length is 2.56 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a linear geometry to one Th and one P atom. The Co–P bond length is 2.13 Å. In the second Co site, Co is bonded in a linear geometry to two equivalentmore »« less
Materials Data on Th2(GeIr)3 by Materials Project

Dataset

Th2(IrGe)3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Th is bonded in a 6-coordinate geometry to four equivalent Th, one Ir, and one Ge atom. All Th–Th bond lengths are 2.95 Å. The Th–Ir bond length is 2.53 Å. The Th–Ge bond length is 3.16 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a distorted linear geometry to one Th and one Ge atom. The Ir–Ge bond length is 2.48 Å. In the second Ir site, Ir is bonded in a distorted linear geometry to two equivalent Gemore »« less
Materials Data on Th2(InSn)3 by Materials Project

Dataset

Th2(InSn)3 is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Th is bonded to six In and six Sn atoms to form ThIn6Sn6 cuboctahedra that share corners with twelve equivalent ThIn6Sn6 cuboctahedra, edges with twelve InTh4In2Sn6 cuboctahedra, edges with twelve SnTh4In4Sn4 cuboctahedra, faces with six equivalent ThIn6Sn6 cuboctahedra, faces with six InTh4In2Sn6 cuboctahedra, and faces with six SnTh4In4Sn4 cuboctahedra. There are four shorter (3.39 Å) and two longer (3.40 Å) Th–In bond lengths. There are a spread of Th–Sn bond distances ranging from 3.30–3.36 Å. There are two inequivalent In sites. In themore »« less
Materials Data on Sm2(SiPt)3 by Materials Project

Dataset

Sm2(PtSi)3 crystallizes in the tetragonal P4/mmm space group. The structure is one-dimensional and consists of one Sm2(PtSi)3 ribbon oriented in the (0, 0, 1) direction. Sm3+ is bonded in a distorted linear geometry to one Pt+0.67- and one Si+1.33- atom. The Sm–Pt bond length is 2.80 Å. The Sm–Si bond length is 3.00 Å. There are two inequivalent Pt+0.67- sites. In the first Pt+0.67- site, Pt+0.67- is bonded in a distorted linear geometry to one Sm3+ and one Si+1.33- atom. The Pt–Si bond length is 2.37 Å. In the second Pt+0.67- site, Pt+0.67- is bonded in a distorted linear geometrymore »« less

Similar Records