Materials Data on Tb(ClO2)3 by Materials Project

doi:10.17188/1656405

Title: Materials Data on Tb(ClO2)3 by Materials Project

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Abstract

Tb(O2Cl)3 crystallizes in the monoclinic P2/c space group. The structure is one-dimensional and consists of two Tb(O2Cl)3 ribbons oriented in the (1, 0, 0) direction. Tb is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Tb–O bond distances ranging from 2.29–2.42 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Tb and one Cl atom. The O–Cl bond length is 1.58 Å. In the second O site, O is bonded in an L-shaped geometry to one Tb and one Cl atom. The O–Cl bond length is 1.61 Å. In the third O site, O is bonded in a bent 150 degrees geometry to one Tb and one Cl atom. The O–Cl bond length is 1.59 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a water-like geometry to two O atoms. In the second Cl site, Cl is bonded in a bent 120 degrees geometry to two equivalent O atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-11

Other Number(s):: mp-1189972

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; Tb(ClO2)3; Cl-O-Tb

OSTI Identifier:: 1656405

DOI:: https://doi.org/10.17188/1656405

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                    The Materials Project. Materials Data on Tb(ClO2)3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1656405.

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                    The Materials Project. Materials Data on Tb(ClO2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1656405

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                    The Materials Project. 2019.  
"Materials Data on Tb(ClO2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1656405.  https://www.osti.gov/servlets/purl/1656405. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1656405,

  title        = {Materials Data on Tb(ClO2)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tb(O2Cl)3 crystallizes in the monoclinic P2/c space group. The structure is one-dimensional and consists of two Tb(O2Cl)3 ribbons oriented in the (1, 0, 0) direction. Tb is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Tb–O bond distances ranging from 2.29–2.42 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Tb and one Cl atom. The O–Cl bond length is 1.58 Å. In the second O site, O is bonded in an L-shaped geometry to one Tb and one Cl atom. The O–Cl bond length is 1.61 Å. In the third O site, O is bonded in a bent 150 degrees geometry to one Tb and one Cl atom. The O–Cl bond length is 1.59 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a water-like geometry to two O atoms. In the second Cl site, Cl is bonded in a bent 120 degrees geometry to two equivalent O atoms.},

  doi          = {10.17188/1656405},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1656405

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