Materials Data on SrCO3 by Materials Project

doi:10.17188/1207458

Title: Materials Data on SrCO3 by Materials Project

Dataset
Other Related Research

Abstract

SrCO3 is Calcite structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent O2- atoms to form corner-sharing SrO6 octahedra. The corner-sharing octahedral tilt angles are 63°. All Sr–O bond lengths are 2.55 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. O2- is bonded in a distorted trigonal planar geometry to two equivalent Sr2+ and one C4+ atom.

Authors:: The Materials Project

Publication Date:: Wed Jun 07 00:00:00 EDT 2017

Other Number(s):: mp-38035

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; SrCO3; C-O-Sr

OSTI Identifier:: 1207458

DOI:: https://doi.org/10.17188/1207458

Citation Formats


                    The Materials Project. Materials Data on SrCO3 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1207458.

Copy to clipboard


                    The Materials Project. Materials Data on SrCO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207458

Copy to clipboard


                    The Materials Project. 2017.  
"Materials Data on SrCO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207458.  https://www.osti.gov/servlets/purl/1207458. Pub date:Wed Jun 07 00:00:00 EDT 2017

Copy to clipboard


                    
@article{osti_1207458,

  title        = {Materials Data on SrCO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrCO3 is Calcite structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent O2- atoms to form corner-sharing SrO6 octahedra. The corner-sharing octahedral tilt angles are 63°. All Sr–O bond lengths are 2.55 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. O2- is bonded in a distorted trigonal planar geometry to two equivalent Sr2+ and one C4+ atom.},

  doi          = {10.17188/1207458},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jun 07 00:00:00 EDT 2017},

  month        = {Wed Jun 07 00:00:00 EDT 2017}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1207458

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on SrCO3 by Materials Project

Dataset The Materials Project

SrCO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.59–2.77 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. All C–O bond lengths are 1.30 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Sr2+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Sr2+ and onemore » C4+ atom.« less
Materials Data on SrCO3 by Materials Project

Dataset The Materials Project

SrCO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.58 Å) and four longer (2.78 Å) Sr–O bond lengths. In the second Sr2+ site, Sr2+ is bonded in a 2-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.44–2.93 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.28 Å) and two longer (1.31more »« less
Materials Data on SrCO3 by Materials Project

Dataset The Materials Project

SrCO3 is Calcite-like structured and crystallizes in the trigonal R32 space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent O2- atoms to form distorted corner-sharing SrO6 pentagonal pyramids. All Sr–O bond lengths are 2.54 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. O2- is bonded in a distorted trigonal planar geometry to two equivalent Sr2+ and one C4+ atom.
Materials Data on SrCo3(P2O7)2 by Materials Project

Dataset The Materials Project

SrCo3(P2O7)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.59–2.76 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six PO4 tetrahedra and edges with two equivalent CoO6 octahedra. There are a spread of Co–O bond distances ranging from 2.10–2.17 Å. In the second Co2+ site, Co2+ is bonded to six O2- atoms to form CoO6more »« 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

Similar Records