Materials Data on Nd(BC)2 by Materials Project

doi:10.17188/1276604

Title: Materials Data on Nd(BC)2 by Materials Project

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Abstract

NdB2C2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Nd2+ is bonded in a body-centered cubic geometry to eight equivalent C4- atoms. All Nd–C bond lengths are 2.79 Å. B3+ is bonded in a distorted trigonal planar geometry to three equivalent C4- atoms. There is one shorter (1.54 Å) and two longer (1.62 Å) B–C bond length. C4- is bonded in a 3-coordinate geometry to four equivalent Nd2+ and three equivalent B3+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-5765

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; Nd(BC)2; B-C-Nd

OSTI Identifier:: 1276604

DOI:: https://doi.org/10.17188/1276604

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                    The Materials Project. Materials Data on Nd(BC)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1276604.

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                    The Materials Project. Materials Data on Nd(BC)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1276604

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                    The Materials Project. 2020.  
"Materials Data on Nd(BC)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1276604.  https://www.osti.gov/servlets/purl/1276604. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1276604,

  title        = {Materials Data on Nd(BC)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NdB2C2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Nd2+ is bonded in a body-centered cubic geometry to eight equivalent C4- atoms. All Nd–C bond lengths are 2.79 Å. B3+ is bonded in a distorted trigonal planar geometry to three equivalent C4- atoms. There is one shorter (1.54 Å) and two longer (1.62 Å) B–C bond length. C4- is bonded in a 3-coordinate geometry to four equivalent Nd2+ and three equivalent B3+ atoms.},

  doi          = {10.17188/1276604},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1276604

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Materials Data on Nd(BC)2 by Materials Project

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NdB2C2 crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Nd2+ is bonded in a 8-coordinate geometry to eight equivalent C4- atoms. All Nd–C bond lengths are 2.80 Å. B3+ is bonded in an L-shaped geometry to two equivalent C4- atoms. Both B–C bond lengths are 1.62 Å. C4- is bonded in a 2-coordinate geometry to four equivalent Nd2+, two equivalent B3+, and one C4- atom. The C–C bond length is 1.43 Å.
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DyB2C2 crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to eight equivalent B and eight equivalent C atoms. All Dy–B bond lengths are 2.74 Å. All Dy–C bond lengths are 2.71 Å. B is bonded in a 2-coordinate geometry to four equivalent Dy and two equivalent C atoms. Both B–C bond lengths are 1.61 Å. C is bonded in a 2-coordinate geometry to four equivalent Dy, two equivalent B, and one C atom. The C–C bond length is 1.42 Å.
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CeB2C2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ce4+ is bonded in a body-centered cubic geometry to eight equivalent C2- atoms. All Ce–C bond lengths are 2.76 Å. B is bonded in a distorted trigonal planar geometry to three equivalent C2- atoms. There is one shorter (1.53 Å) and two longer (1.61 Å) B–C bond length. C2- is bonded in a 3-coordinate geometry to four equivalent Ce4+ and three equivalent B atoms.
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HoB2C2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ho is bonded in a 8-coordinate geometry to eight equivalent B and eight equivalent C atoms. All Ho–B bond lengths are 2.73 Å. All Ho–C bond lengths are 2.67 Å. B is bonded in a distorted trigonal planar geometry to four equivalent Ho and three equivalent C atoms. There is one shorter (1.52 Å) and two longer (1.60 Å) B–C bond length. C is bonded in a 3-coordinate geometry to four equivalent Ho and three equivalent B atoms.

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