Materials Data on Sr3CaAg4 by Materials Project

doi:10.17188/1718749

Title: Materials Data on Sr3CaAg4 by Materials Project

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Abstract

Sr3CaAg4 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are nine inequivalent Sr sites. In the first Sr site, Sr is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Sr–Ag bond distances ranging from 3.32–3.40 Å. In the second Sr site, Sr is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Sr–Ag bond distances ranging from 3.28–3.44 Å. In the third Sr site, Sr is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Sr–Ag bond distances ranging from 3.29–3.44 Å. In the fourth Sr site, Sr is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Sr–Ag bond distances ranging from 3.30–3.44 Å. In the fifth Sr site, Sr is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Sr–Ag bond distances ranging from 3.31–3.41 Å. In the sixth Sr site, Sr is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Sr–Ag bond distances ranging from 3.29–3.43 Å. In the seventh Sr site, Sr is bonded in a 7-coordinate geometry to sevenmore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1218586

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; Sr3CaAg4; Ag-Ca-Sr

OSTI Identifier:: 1718749

DOI:: https://doi.org/10.17188/1718749

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                    The Materials Project. Materials Data on Sr3CaAg4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1718749.

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                    The Materials Project. Materials Data on Sr3CaAg4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1718749

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                    The Materials Project. 2020.  
"Materials Data on Sr3CaAg4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1718749.  https://www.osti.gov/servlets/purl/1718749. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1718749,

  title        = {Materials Data on Sr3CaAg4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr3CaAg4 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are nine inequivalent Sr sites. In the first Sr site, Sr is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Sr–Ag bond distances ranging from 3.32–3.40 Å. In the second Sr site, Sr is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Sr–Ag bond distances ranging from 3.28–3.44 Å. In the third Sr site, Sr is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Sr–Ag bond distances ranging from 3.29–3.44 Å. In the fourth Sr site, Sr is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Sr–Ag bond distances ranging from 3.30–3.44 Å. In the fifth Sr site, Sr is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Sr–Ag bond distances ranging from 3.31–3.41 Å. In the sixth Sr site, Sr is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Sr–Ag bond distances ranging from 3.29–3.43 Å. In the seventh Sr site, Sr is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Sr–Ag bond distances ranging from 3.24–3.39 Å. In the eighth Sr site, Sr is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Sr–Ag bond distances ranging from 3.24–3.38 Å. In the ninth Sr site, Sr is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Sr–Ag bond distances ranging from 3.24–3.39 Å. There are three inequivalent Ca sites. In the first Ca site, Ca is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Ca–Ag bond distances ranging from 3.22–3.39 Å. In the second Ca site, Ca is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Ca–Ag bond distances ranging from 3.18–3.44 Å. In the third Ca site, Ca is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Ca–Ag bond distances ranging from 3.22–3.39 Å. There are eleven inequivalent Ag sites. In the first Ag site, Ag is bonded in a 9-coordinate geometry to six Sr, one Ca, and two equivalent Ag atoms. Both Ag–Ag bond lengths are 2.96 Å. In the second Ag site, Ag is bonded in a 9-coordinate geometry to six Sr, one Ca, and two equivalent Ag atoms. Both Ag–Ag bond lengths are 2.96 Å. In the third Ag site, Ag is bonded in a 9-coordinate geometry to six Sr, one Ca, and two equivalent Ag atoms. Both Ag–Ag bond lengths are 2.96 Å. In the fourth Ag site, Ag is bonded in a 9-coordinate geometry to seven Sr and two equivalent Ag atoms. Both Ag–Ag bond lengths are 2.97 Å. In the fifth Ag site, Ag is bonded in a 9-coordinate geometry to seven Sr and two equivalent Ag atoms. In the sixth Ag site, Ag is bonded in a 9-coordinate geometry to five Sr, two equivalent Ca, and two equivalent Ag atoms. In the seventh Ag site, Ag is bonded in a 9-coordinate geometry to five Sr, two equivalent Ca, and two equivalent Ag atoms. In the eighth Ag site, Ag is bonded in a 9-coordinate geometry to five Sr, two equivalent Ca, and two equivalent Ag atoms. In the ninth Ag site, Ag is bonded in a 9-coordinate geometry to three Sr, four Ca, and two equivalent Ag atoms. Both Ag–Ag bond lengths are 3.03 Å. In the tenth Ag site, Ag is bonded in a 9-coordinate geometry to five Sr, two equivalent Ca, and two equivalent Ag atoms. Both Ag–Ag bond lengths are 3.00 Å. In the eleventh Ag site, Ag is bonded in a 9-coordinate geometry to five Sr, two equivalent Ca, and two equivalent Ag atoms.},

  doi          = {10.17188/1718749},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1718749

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