Materials Data on Rb3Br2Cl 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 Rb3Br2Cl 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 07/23/2020. 
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500 |a Persson, Kristin; Project, Materials. 
520 3 |a Rb3Br2Cl is Caswellsilverite-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to five equivalent Br1- and one Cl1- atom to form a mixture of corner and edge-sharing RbBr5Cl octahedra. The corner-sharing octahedra tilt angles range from 0?1ʻ. There are four shorter (3.46 ¿) and one longer (3.50 ¿) Rb?Br bond lengths. The Rb?Cl bond length is 3.42 ¿. In the second Rb1+ site, Rb1+ is bonded to two equivalent Br1- and four equivalent Cl1- atoms to form a mixture of corner and edge-sharing RbBr2Cl4 octahedra. The corner-sharing octahedral tilt angles are 0ʻ. Both Rb?Br bond lengths are 3.46 ¿. All Rb?Cl bond lengths are 3.46 ¿. In the third Rb1+ site, Rb1+ is bonded to two equivalent Br1- and four equivalent Cl1- atoms to form a mixture of corner and edge-sharing RbBr2Cl4 octahedra. The corner-sharing octahedral tilt angles are 0ʻ. Both Rb?Br bond lengths are 3.46 ¿. All Rb?Cl bond lengths are 3.46 ¿. Br1- is bonded to six Rb1+ atoms to form BrRb6 octahedra that share a cornercorner with one ClRb6 octahedra, corners with five equivalent BrRb6 octahedra, edges with four equivalent ClRb6 octahedra, and edges with eight equivalent BrRb6 octahedra. The corner-sharing octahedra tilt angles range from 0?1ʻ. Cl1- is bonded to six Rb1+ atoms to form ClRb6 octahedra that share corners with two equivalent BrRb6 octahedra, corners with four equivalent ClRb6 octahedra, edges with four equivalent ClRb6 octahedra, and edges with eight equivalent BrRb6 octahedra. The corner-sharing octahedral tilt angles are 0ʻ 
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650 7 |a 36 materials science  |2 local. 
650 7 |a Crystal structure  |2 local. 
650 7 |a Rb3br2cl  |2 local. 
650 7 |a Br-cl-rb  |2 local. 
710 2 |a Lawrence Berkeley National Laboratory.  |4 res. 
710 2 |a United States. Department of Energy. Office of Science.  |4 spn. 
710 1 |a United States.  |b Department of Energy.  |b Office of Scientific and Technical Information  |4 dst. 
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