Materials Data on PrHfF7 by Materials Project

doi:10.17188/1654085

Title: Materials Data on PrHfF7 by Materials Project

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Abstract

PrHfF7 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Pr–F bond distances ranging from 2.30–2.47 Å. Hf4+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Hf–F bond distances ranging from 2.00–2.02 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Pr3+ atoms. In the second F1- site, F1- is bonded in a distorted linear geometry to one Pr3+ and one Hf4+ atom. In the third F1- site, F1- is bonded in a distorted linear geometry to one Pr3+ and one Hf4+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pr3+ and one Hf4+ atom. In the fifth F1- site, F1- is bonded in a distorted linear geometry to one Pr3+ and one Hf4+ atom. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pr3+ and one Hf4+ atom. In the seventh F1- site, F1- is bonded in a bent 150 degreesmore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1209572

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; PrHfF7; F-Hf-Pr

OSTI Identifier:: 1654085

DOI:: https://doi.org/10.17188/1654085

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                    The Materials Project. Materials Data on PrHfF7 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1654085.

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                    The Materials Project. Materials Data on PrHfF7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1654085

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                    The Materials Project. 2019.  
"Materials Data on PrHfF7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1654085.  https://www.osti.gov/servlets/purl/1654085. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1654085,

  title        = {Materials Data on PrHfF7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PrHfF7 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Pr–F bond distances ranging from 2.30–2.47 Å. Hf4+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Hf–F bond distances ranging from 2.00–2.02 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Pr3+ atoms. In the second F1- site, F1- is bonded in a distorted linear geometry to one Pr3+ and one Hf4+ atom. In the third F1- site, F1- is bonded in a distorted linear geometry to one Pr3+ and one Hf4+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pr3+ and one Hf4+ atom. In the fifth F1- site, F1- is bonded in a distorted linear geometry to one Pr3+ and one Hf4+ atom. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pr3+ and one Hf4+ atom. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to one Pr3+ and one Hf4+ atom.},

  doi          = {10.17188/1654085},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1654085

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