Materials Data on Pr5(Sn5Rh2)2 by Materials Project

doi:10.17188/1758008

Title: Materials Data on Pr5(Sn5Rh2)2 by Materials Project

Dataset
Other Related Research

Abstract

Pr5(Rh2Sn5)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 8-coordinate geometry to four equivalent Rh and twelve Sn atoms. All Pr–Rh bond lengths are 3.54 Å. There are eight shorter (3.30 Å) and four longer (3.58 Å) Pr–Sn bond lengths. In the second Pr site, Pr is bonded to four equivalent Rh and eight Sn atoms to form distorted face-sharing PrSn8Rh4 cuboctahedra. All Pr–Rh bond lengths are 3.35 Å. There are two shorter (3.20 Å) and six longer (3.35 Å) Pr–Sn bond lengths. In the third Pr site, Pr is bonded in a 10-coordinate geometry to four equivalent Rh and ten Sn atoms. All Pr–Rh bond lengths are 3.67 Å. There are a spread of Pr–Sn bond distances ranging from 3.53–3.63 Å. Rh is bonded in a 10-coordinate geometry to five Pr and five Sn atoms. There are a spread of Rh–Sn bond distances ranging from 2.63–2.76 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to six Pr, two equivalent Rh, and one Sn atom. The Sn–Sn bond length ismore »« less

Authors:: The Materials Project

Publication Date:: 2020-09-03

Other Number(s):: mp-1200738

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; Pr5(Sn5Rh2)2; Pr-Rh-Sn

OSTI Identifier:: 1758008

DOI:: https://doi.org/10.17188/1758008

Citation Formats


                    The Materials Project. Materials Data on Pr5(Sn5Rh2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1758008.

Copy to clipboard


                    The Materials Project. Materials Data on Pr5(Sn5Rh2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1758008

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Pr5(Sn5Rh2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1758008.  https://www.osti.gov/servlets/purl/1758008. Pub date:Thu Sep 03 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1758008,

  title        = {Materials Data on Pr5(Sn5Rh2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr5(Rh2Sn5)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 8-coordinate geometry to four equivalent Rh and twelve Sn atoms. All Pr–Rh bond lengths are 3.54 Å. There are eight shorter (3.30 Å) and four longer (3.58 Å) Pr–Sn bond lengths. In the second Pr site, Pr is bonded to four equivalent Rh and eight Sn atoms to form distorted face-sharing PrSn8Rh4 cuboctahedra. All Pr–Rh bond lengths are 3.35 Å. There are two shorter (3.20 Å) and six longer (3.35 Å) Pr–Sn bond lengths. In the third Pr site, Pr is bonded in a 10-coordinate geometry to four equivalent Rh and ten Sn atoms. All Pr–Rh bond lengths are 3.67 Å. There are a spread of Pr–Sn bond distances ranging from 3.53–3.63 Å. Rh is bonded in a 10-coordinate geometry to five Pr and five Sn atoms. There are a spread of Rh–Sn bond distances ranging from 2.63–2.76 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to six Pr, two equivalent Rh, and one Sn atom. The Sn–Sn bond length is 2.80 Å. In the second Sn site, Sn is bonded in a 2-coordinate geometry to five Pr and two equivalent Rh atoms. In the third Sn site, Sn is bonded in a 2-coordinate geometry to four Pr and two equivalent Rh atoms.},

  doi          = {10.17188/1758008},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {9}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1758008

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Pr5(Mo16O27)2 by Materials Project

Dataset The Materials Project

Pr5(Mo16O27)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 5-coordinate geometry to eight O atoms. There are a spread of Pr–O bond distances ranging from 2.29–3.20 Å. In the second Pr site, Pr is bonded in a 5-coordinate geometry to six O atoms. There are a spread of Pr–O bond distances ranging from 2.44–2.94 Å. In the third Pr site, Pr is bonded in a 4-coordinate geometry to four O atoms. There are two shorter (2.52 Å) and two longer (2.55more »« less
Materials Data on Pr5(CoB3)2 by Materials Project

Dataset The Materials Project

Pr(Pr2CoB3)2 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three praseodymium molecules and three Pr2CoB3 sheets oriented in the (0, 0, 1) direction. In each Pr2CoB3 sheet, there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Pr–B bond lengths are 2.76 Å. In the second Pr3+ site, Pr3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Pr–B bond lengths are 2.79 Å. Co+1.50+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. Allmore »« less
Materials Data on Pr5(RuO6)2 by Materials Project

Dataset The Materials Project

Pr5(RuO6)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded to seven O2- atoms to form distorted PrO7 pentagonal bipyramids that share corners with two equivalent PrO6 octahedra, a cornercorner with one PrO7 pentagonal bipyramid, an edgeedge with one PrO6 octahedra, edges with two equivalent RuO6 octahedra, and edges with six PrO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 58°. There are a spread of Pr–O bond distances ranging from 2.40–2.54 Å. In the second Pr3+ site, Pr3+ is bonded to seven O2-more »« less
Materials Data on Pr5(CBr4)2 by Materials Project

Dataset The Materials Project

Pr5(CBr4)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are ten inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded to two C+3.50- and five Br1- atoms to form distorted PrC2Br5 pentagonal bipyramids that share a cornercorner with one PrCBr5 octahedra, a cornercorner with one PrC2Br5 pentagonal bipyramid, an edgeedge with one PrC4Br4 hexagonal bipyramid, edges with two PrCBr5 octahedra, an edgeedge with one PrC2Br5 pentagonal bipyramid, a faceface with one PrC4Br4 hexagonal bipyramid, and a faceface with one PrC2Br5 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 4°. Both Pr–C bond lengths aremore »« less
Materials Data on Pr5(In2Pt)2 by Materials Project

Dataset The Materials Project

Pr5(PtIn2)2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 2-coordinate geometry to two equivalent Pt and six In atoms. Both Pr–Pt bond lengths are 2.95 Å. There are a spread of Pr–In bond distances ranging from 3.35–3.59 Å. In the second Pr site, Pr is bonded in a 10-coordinate geometry to four equivalent Pt and six In atoms. There are two shorter (3.04 Å) and two longer (3.11 Å) Pr–Pt bond lengths. There are a spread of Pr–In bond distances rangingmore »« less

Similar Records