Materials Data on Cs3Bi2Cl9 by Materials Project [electronic resource]

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Bibliographic Details
Online Access: Full Text (via OSTI)
Corporate Author: Lawrence Berkeley National Laboratory (Researcher)
Format: Government Document Electronic eBook
Language:English
Published: Washington, D.C. : Oak Ridge, Tenn. : United States. Department of Energy. Office of Science ; Distributed by the Office of Scientific and Technical Information, U.S. Department of Energy, 2020.
Subjects:

MARC

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245 0 0 |a Materials Data on Cs3Bi2Cl9 by Materials Project  |h [electronic resource] 
260 |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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500 |a Persson, Kristin; Project, Materials;  
520 3 |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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650 7 |a Crystal structure  |2 local. 
650 7 |a Cs3bi2cl9  |2 local. 
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