Materials Data on Sr5(B5Rh7)2 by Materials Project

doi:10.17188/1202775

Title: Materials Data on Sr5(B5Rh7)2 by Materials Project

Dataset
Other Related Research

Abstract

Sr5(Rh7B5)2 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are four inequivalent Sr sites. In the first Sr site, Sr is bonded in a 6-coordinate geometry to one Sr, ten Rh, and eight equivalent B atoms. The Sr–Sr bond length is 3.11 Å. There are a spread of Sr–Rh bond distances ranging from 3.07–3.35 Å. There are a spread of Sr–B bond distances ranging from 3.02–3.34 Å. In the second Sr site, Sr is bonded in a 12-coordinate geometry to two Sr, twelve Rh, and six equivalent B atoms. The Sr–Sr bond length is 3.04 Å. There are a spread of Sr–Rh bond distances ranging from 3.16–3.26 Å. There are four shorter (3.27 Å) and two longer (3.34 Å) Sr–B bond lengths. In the third Sr site, Sr is bonded in a 12-coordinate geometry to two Sr, twelve Rh, and six equivalent B atoms. The Sr–Sr bond length is 3.04 Å. There are four shorter (3.19 Å) and eight longer (3.22 Å) Sr–Rh bond lengths. There are four shorter (3.28 Å) and two longer (3.33 Å) Sr–B bond lengths. In the fourth Sr site, Sr is bonded in a 12-coordinate geometry to two Sr, twelve Rh,more »« less

Publication Date:: Thu Jul 23 04:00:00 UTC 2020

Other Number(s):: mp-28706

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; B-Rh-Sr; Sr5(B5Rh7)2; crystal structure

OSTI Identifier:: 1202775

DOI:: https://doi.org/10.17188/1202775

Citation Formats


                    Materials Data on Sr5(B5Rh7)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202775.

Copy to clipboard


                    Materials Data on Sr5(B5Rh7)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202775

Copy to clipboard


                    2020.  
"Materials Data on Sr5(B5Rh7)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1202775.  https://www.osti.gov/servlets/purl/1202775. Pub date:Thu Jul 23 04:00:00 UTC 2020

Copy to clipboard


                    
@article{osti_1202775,

  title        = {Materials Data on Sr5(B5Rh7)2 by Materials Project},

  
  abstractNote = {Sr5(Rh7B5)2 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are four inequivalent Sr sites. In the first Sr site, Sr is bonded in a 6-coordinate geometry to one Sr, ten Rh, and eight equivalent B atoms. The Sr–Sr bond length is 3.11 Å. There are a spread of Sr–Rh bond distances ranging from 3.07–3.35 Å. There are a spread of Sr–B bond distances ranging from 3.02–3.34 Å. In the second Sr site, Sr is bonded in a 12-coordinate geometry to two Sr, twelve Rh, and six equivalent B atoms. The Sr–Sr bond length is 3.04 Å. There are a spread of Sr–Rh bond distances ranging from 3.16–3.26 Å. There are four shorter (3.27 Å) and two longer (3.34 Å) Sr–B bond lengths. In the third Sr site, Sr is bonded in a 12-coordinate geometry to two Sr, twelve Rh, and six equivalent B atoms. The Sr–Sr bond length is 3.04 Å. There are four shorter (3.19 Å) and eight longer (3.22 Å) Sr–Rh bond lengths. There are four shorter (3.28 Å) and two longer (3.33 Å) Sr–B bond lengths. In the fourth Sr site, Sr is bonded in a 12-coordinate geometry to two Sr, twelve Rh, and six equivalent B atoms. The Sr–Sr bond length is 3.11 Å. There are a spread of Sr–Rh bond distances ranging from 3.16–3.26 Å. There are four shorter (3.27 Å) and two longer (3.34 Å) Sr–B bond lengths. There are five inequivalent Rh sites. In the first Rh site, Rh is bonded in a distorted square co-planar geometry to four Sr and four B atoms. There are two shorter (2.20 Å) and two longer (2.21 Å) Rh–B bond lengths. In the second Rh site, Rh is bonded in a 4-coordinate geometry to four Sr and four B atoms. There are two shorter (2.18 Å) and two longer (2.23 Å) Rh–B bond lengths. In the third Rh site, Rh is bonded in a distorted square co-planar geometry to four Sr and four B atoms. All Rh–B bond lengths are 2.21 Å. In the fourth Rh site, Rh is bonded in a 4-coordinate geometry to four equivalent Sr and four equivalent B atoms. All Rh–B bond lengths are 2.16 Å. In the fifth Rh site, Rh is bonded in a 4-coordinate geometry to four Sr and four B atoms. All Rh–B bond lengths are 2.20 Å. There are five inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three equivalent Sr and six Rh atoms. There are two shorter (3.28 Å) and one longer (3.33 Å) B–Sr bond lengths. Both B–Rh bond lengths are 2.21 Å. In the second B site, B is bonded in a 5-coordinate geometry to four equivalent Sr and five Rh atoms. In the third B site, B is bonded in a 6-coordinate geometry to three equivalent Sr and six Rh atoms. In the fourth B site, B is bonded in a 6-coordinate geometry to three equivalent Sr and six Rh atoms. All B–Rh bond lengths are 2.21 Å. In the fifth B site, B is bonded in a 6-coordinate geometry to three equivalent Sr and six Rh atoms. There are two shorter (3.28 Å) and one longer (3.33 Å) B–Sr bond lengths. Both B–Rh bond lengths are 2.21 Å.},

  doi          = {10.17188/1202775},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 04:00:00 UTC 2020},

  month        = {Thu Jul 23 04:00:00 UTC 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1202775

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Sr5(Ga3O7)2 by Materials Project

Dataset

Sr5Ga6O14 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six O2- atoms to form distorted SrO6 octahedra that share corners with six GaO4 tetrahedra and edges with two equivalent GaO4 tetrahedra. There are a spread of Sr–O bond distances ranging from 2.49–2.70 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–3.06 Å. In the third Sr2+ site, Sr2+ is bonded in a 7-coordinatemore »« less
Materials Data on Sr5(SnP3)2 by Materials Project

Dataset

Sr5(SnP3)2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to seven P3- atoms to form distorted SrP7 pentagonal bipyramids that share corners with nine SrP6 octahedra, corners with four equivalent SnP4 tetrahedra, edges with two SrP6 octahedra, edges with two equivalent SrP7 pentagonal bipyramids, edges with two equivalent SnP4 tetrahedra, faces with two equivalent SrP6 octahedra, and faces with three equivalent SrP7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 20–54°. There are a spread of Sr–P bond distances ranging from 3.22–3.34more »« less
Materials Data on Sr5(Br4Cl)2 by Materials Project

Dataset

Sr5(Br4Cl)2 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are four shorter (3.16 Å) and four longer (3.18 Å) Sr–Br bond lengths. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to six Br1- and two Cl1- atoms. There are a spread of Sr–Br bond distances ranging from 3.12–3.52 Å. There are one shorter (3.02 Å) and one longer (3.04 Å) Sr–Cl bond lengths. There are two inequivalent Br1- sites. Inmore »« less
Materials Data on Sr5(AlSb3)2 by Materials Project

Dataset

Sr5Al2Sb6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven Sb+2.67- atoms. There are a spread of Sr–Sb bond distances ranging from 3.41–3.85 Å. In the second Sr2+ site, Sr2+ is bonded to seven Sb+2.67- atoms to form distorted SrSb7 pentagonal bipyramids that share corners with two equivalent SrSb6 octahedra, corners with six AlSb4 tetrahedra, edges with two equivalent SrSb7 pentagonal bipyramids, an edgeedge with one AlSb4 tetrahedra, and faces with four equivalent SrSb6 octahedra. The corner-sharing octahedralmore »« less
Materials Data on Sr5(AuO4)2 by Materials Project

Dataset

Sr5(AuO4)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.55 Å) and four longer (2.84 Å) Sr–O bond lengths. In the second Sr2+ site, Sr2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Sr–O bond lengths are 2.67 Å. Au3+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. All Au–O bond lengths are 2.06 Å. O2- is bonded inmore »« less

Similar Records