Materials Data on Sr3Ru2O7 by Materials Project

doi:10.17188/1271142

Title: Materials Data on Sr3Ru2O7 by Materials Project

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Abstract

Sr3Ru2O7 crystallizes in the orthorhombic Ccce space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.47–2.93 Å. In the second Sr2+ site, Sr2+ is bonded to twelve O2- atoms to form distorted SrO12 cuboctahedra that share corners with four equivalent SrO12 cuboctahedra, faces with four equivalent SrO12 cuboctahedra, and faces with eight equivalent RuO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.62–3.03 Å. Ru4+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with five equivalent RuO6 octahedra and faces with four equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–17°. There are four shorter (2.00 Å) and two longer (2.03 Å) Ru–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+ and two equivalent Ru4+ atoms. In the second O2- site, O2- is bonded to five equivalent Sr2+ and one Ru4+ atom to form a mixture of distorted edge and corner-sharing OSr5Ru octahedra. The corner-sharing octahedramore »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-559909

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; Sr3Ru2O7; O-Ru-Sr

OSTI Identifier:: 1271142

DOI:: https://doi.org/10.17188/1271142

Citation Formats


                    The Materials Project. Materials Data on Sr3Ru2O7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1271142.

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                    The Materials Project. Materials Data on Sr3Ru2O7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1271142

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                    The Materials Project. 2020.  
"Materials Data on Sr3Ru2O7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1271142.  https://www.osti.gov/servlets/purl/1271142. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1271142,

  title        = {Materials Data on Sr3Ru2O7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr3Ru2O7 crystallizes in the orthorhombic Ccce space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.47–2.93 Å. In the second Sr2+ site, Sr2+ is bonded to twelve O2- atoms to form distorted SrO12 cuboctahedra that share corners with four equivalent SrO12 cuboctahedra, faces with four equivalent SrO12 cuboctahedra, and faces with eight equivalent RuO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.62–3.03 Å. Ru4+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with five equivalent RuO6 octahedra and faces with four equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–17°. There are four shorter (2.00 Å) and two longer (2.03 Å) Ru–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+ and two equivalent Ru4+ atoms. In the second O2- site, O2- is bonded to five equivalent Sr2+ and one Ru4+ atom to form a mixture of distorted edge and corner-sharing OSr5Ru octahedra. The corner-sharing octahedra tilt angles range from 0–8°. In the third O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Ru4+ atoms to form distorted OSr4Ru2 octahedra that share corners with six OSr5Ru octahedra and edges with four equivalent OSr4Ru2 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1271142},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1271142

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