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|a (TOE)ost1729411
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|a (TOE)1729411
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|a E 1.99:mp-1104268
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|a E 1.99:mp-1104268
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|a mp-1104268
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|a Materials Data on Cs3Bi2Cl9 by Materials Project
|h [electronic resource]
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|a Washington, D.C. :
|b United States. Department of Energy. Office of Science ;
|a Oak Ridge, Tenn. :
|b Distributed by the Office of Scientific and Technical Information, U.S. Department of Energy,
|c 2020.
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|a :
|b digital, PDF file.
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|a text
|b txt
|2 rdacontent.
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|a computer
|b c
|2 rdamedia.
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|a online resource
|b cr
|2 rdacarrier.
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|a Published through Scitech Connect.
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|a 05/03/2020.
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|a "mp-1104268."
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|a Persson, Kristin; Project, Materials;
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|a Cs3Bi2Cl9 crystallizes in the trigonal P321 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are three shorter (3.74 ¿) and six longer (3.99 ¿) Cs?Cl bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to nine Cl1- atoms. There are a spread of Cs?Cl bond distances ranging from 3.78?4.03 ¿. Bi3+ is bonded to six Cl1- atoms to form corner-sharing BiCl6 octahedra. The corner-sharing octahedral tilt angles are 10ʻ. There are three shorter (2.60 ¿) and three longer (2.88 ¿) Bi?Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to three Cs1+ and two equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing ClCs3Bi2 square pyramids. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three Cs1+ and one Bi3+ atom.
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|b AC02-05CH11231.
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|b EDCBEE.
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|a 36 materials science
|2 local.
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|a Crystal structure
|2 local.
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|a Cs3bi2cl9
|2 local.
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|a Bi-cl-cs
|2 local.
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|a Lawrence Berkeley National Laboratory.
|4 res.
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|a United States. Department of Energy. Office of Science.
|4 spn.
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|a United States.
|b Department of Energy.
|b Office of Scientific and Technical Information
|4 dst.
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|u https://www.osti.gov/servlets/purl/1729411
|z Full Text (via OSTI)
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|a .b117057022
|b 01-28-21
|c 01-28-21
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|a web
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|p Can circulate
|a University of Colorado Boulder
|b Online
|c Online
|d Online
|e E 1.99:mp-1104268
|h Superintendent of Documents classification
|i web
|n 1
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