Materials Data on LuSBr by Materials Project

doi:10.17188/1201445

Title: Materials Data on LuSBr by Materials Project

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Abstract

LuSBr crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one LuSBr sheet oriented in the (0, 0, 1) direction. Lu3+ is bonded to four equivalent S2- and two equivalent Br1- atoms to form a mixture of edge and corner-sharing LuS4Br2 octahedra. The corner-sharing octahedral tilt angles are 18°. There are two shorter (2.67 Å) and two longer (2.69 Å) Lu–S bond lengths. Both Lu–Br bond lengths are 2.77 Å. S2- is bonded in a rectangular see-saw-like geometry to four equivalent Lu3+ atoms. Br1- is bonded in an L-shaped geometry to two equivalent Lu3+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-27246

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; LuSBr; Br-Lu-S

OSTI Identifier:: 1201445

DOI:: https://doi.org/10.17188/1201445

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                    The Materials Project. Materials Data on LuSBr by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1201445.

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                    The Materials Project. Materials Data on LuSBr by Materials Project.  United States.  doi:https://doi.org/10.17188/1201445

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                    The Materials Project. 2020.  
"Materials Data on LuSBr by Materials Project".  United States.  doi:https://doi.org/10.17188/1201445.  https://www.osti.gov/servlets/purl/1201445. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1201445,

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

  author       = {The Materials Project},

  abstractNote = {LuSBr crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one LuSBr sheet oriented in the (0, 0, 1) direction. Lu3+ is bonded to four equivalent S2- and two equivalent Br1- atoms to form a mixture of edge and corner-sharing LuS4Br2 octahedra. The corner-sharing octahedral tilt angles are 18°. There are two shorter (2.67 Å) and two longer (2.69 Å) Lu–S bond lengths. Both Lu–Br bond lengths are 2.77 Å. S2- is bonded in a rectangular see-saw-like geometry to four equivalent Lu3+ atoms. Br1- is bonded in an L-shaped geometry to two equivalent Lu3+ atoms.},

  doi          = {10.17188/1201445},

  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/10.17188/1201445

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