Materials Data on BeF2 by Materials Project

doi:10.17188/1270166

Title: Materials Data on BeF2 by Materials Project

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Abstract

BeF2 is quartz (beta) structured and crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional. Be2+ is bonded to four equivalent F1- atoms to form corner-sharing BeF4 tetrahedra. All Be–F bond lengths are 1.56 Å. F1- is bonded in a bent 150 degrees geometry to two equivalent Be2+ atoms.

Publication Date:: 2020-07-16

Other Number(s):: mp-558118

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; Be-F; BeF2; crystal structure

OSTI Identifier:: 1270166

DOI:: https://doi.org/10.17188/1270166

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                    Materials Data on BeF2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1270166.

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                    Materials Data on BeF2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1270166

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                    2020.  
"Materials Data on BeF2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1270166.  https://www.osti.gov/servlets/purl/1270166. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1270166,

  title        = {Materials Data on BeF2 by Materials Project},

  
  abstractNote = {BeF2 is quartz (beta) structured and crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional. Be2+ is bonded to four equivalent F1- atoms to form corner-sharing BeF4 tetrahedra. All Be–F bond lengths are 1.56 Å. F1- is bonded in a bent 150 degrees geometry to two equivalent Be2+ atoms.},

  doi          = {10.17188/1270166},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1270166

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Materials Data on BeF2 by Materials Project

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BeF2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Be2+ is bonded to twelve equivalent F1- atoms to form a mixture of face and edge-sharing BeF12 cuboctahedra. There are four shorter (2.40 Å) and eight longer (2.41 Å) Be–F bond lengths. F1- is bonded in a 11-coordinate geometry to six equivalent Be2+ and five equivalent F1- atoms. There are three shorter (2.06 Å) and two longer (2.48 Å) F–F bond lengths.
Materials Data on BeF2 by Materials Project

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BeF2 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of one BeF2 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded in a trigonal planar geometry to three F1- atoms. There are a spread of Be–F bond distances ranging from 1.41–1.54 Å. In the second Be2+ site, Be2+ is bonded in a tetrahedral geometry to four F1- atoms. There is two shorter (1.56 Å) and two longer (1.57 Å) Be–F bond length. There are three inequivalent F1- sites. In the first F1-more »« less
Materials Data on BeF2 by Materials Project

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BeF2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are sixteen inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded to four F1- atoms to form corner-sharing BeF4 tetrahedra. There are a spread of Be–F bond distances ranging from 1.53–1.59 Å. In the second Be2+ site, Be2+ is bonded to four F1- atoms to form corner-sharing BeF4 tetrahedra. There are a spread of Be–F bond distances ranging from 1.55–1.60 Å. In the third Be2+ site, Be2+ is bonded in a trigonal planar geometry to three F1- atoms. There are a spread of Be–F bondmore »« less
Materials Data on BeF2 by Materials Project

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BeF2 is quartz (alpha) structured and crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. Be2+ is bonded to four equivalent F1- atoms to form corner-sharing BeF4 tetrahedra. There is two shorter (1.56 Å) and two longer (1.57 Å) Be–F bond length. F1- is bonded in a bent 150 degrees geometry to two equivalent Be2+ atoms.
Materials Data on BeF2 by Materials Project

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BeF2 is quartz (beta)-like structured and crystallizes in the cubic I-43m space group. The structure is three-dimensional. Be2+ is bonded to four equivalent F1- atoms to form corner-sharing BeF4 tetrahedra. All Be–F bond lengths are 1.56 Å. F1- is bonded in a bent 150 degrees geometry to two equivalent Be2+ atoms.

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