Materials Data on Al4C3 by Materials Project

doi:10.17188/1288073

Title: Materials Data on Al4C3 by Materials Project

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Abstract

Al4C3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded in a distorted square co-planar geometry to four C4- atoms. There are a spread of Al–C bond distances ranging from 2.11–2.41 Å. In the second Al3+ site, Al3+ is bonded in a 3-coordinate geometry to three C4- atoms. There are a spread of Al–C bond distances ranging from 2.04–2.21 Å. In the third Al3+ site, Al3+ is bonded in a distorted rectangular see-saw-like geometry to four C4- atoms. There are a spread of Al–C bond distances ranging from 2.10–2.41 Å. In the fourth Al3+ site, Al3+ is bonded in a water-like geometry to two C4- atoms. There are one shorter (2.03 Å) and one longer (2.08 Å) Al–C bond lengths. There are three inequivalent C4- sites. In the first C4- site, C4- is bonded to five Al3+ and one C4- atom to form distorted corner-sharing CAl5C octahedra. The corner-sharing octahedral tilt angles are 9°. The C–C bond length is 1.51 Å. In the second C4- site, C4- is bonded in a 6-coordinate geometry to five Al3+ and one C4- atom. The C–C bond lengthmore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-20

Other Number(s):: mp-743752

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; Al4C3; Al-C

OSTI Identifier:: 1288073

DOI:: https://doi.org/10.17188/1288073

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                    The Materials Project. Materials Data on Al4C3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1288073.

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                    The Materials Project. Materials Data on Al4C3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1288073

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                    The Materials Project. 2020.  
"Materials Data on Al4C3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1288073.  https://www.osti.gov/servlets/purl/1288073. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1288073,

  title        = {Materials Data on Al4C3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Al4C3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded in a distorted square co-planar geometry to four C4- atoms. There are a spread of Al–C bond distances ranging from 2.11–2.41 Å. In the second Al3+ site, Al3+ is bonded in a 3-coordinate geometry to three C4- atoms. There are a spread of Al–C bond distances ranging from 2.04–2.21 Å. In the third Al3+ site, Al3+ is bonded in a distorted rectangular see-saw-like geometry to four C4- atoms. There are a spread of Al–C bond distances ranging from 2.10–2.41 Å. In the fourth Al3+ site, Al3+ is bonded in a water-like geometry to two C4- atoms. There are one shorter (2.03 Å) and one longer (2.08 Å) Al–C bond lengths. There are three inequivalent C4- sites. In the first C4- site, C4- is bonded to five Al3+ and one C4- atom to form distorted corner-sharing CAl5C octahedra. The corner-sharing octahedral tilt angles are 9°. The C–C bond length is 1.51 Å. In the second C4- site, C4- is bonded in a 6-coordinate geometry to five Al3+ and one C4- atom. The C–C bond length is 1.51 Å. In the third C4- site, C4- is bonded in a 5-coordinate geometry to three Al3+ and two C4- atoms.},

  doi          = {10.17188/1288073},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1288073

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