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|a E 1.99:mp-1219782
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|a mp-1219782
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|a Materials Data on Rb2CuBrCl3 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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|2 rdamedia.
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|a online resource
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|a Published through Scitech Connect.
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|a 05/02/2020.
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|a "mp-1219782."
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|a Persson, Kristin; Project, Materials.
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|a Rb2CuBrCl3 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Aea2 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to four equivalent Br1- and five Cl1- atoms. All Rb?Br bond lengths are 3.66 ¿. There are four shorter (3.43 ¿) and one longer (3.47 ¿) Rb?Cl bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to one Br1- and eight Cl1- atoms. The Rb?Br bond length is 3.45 ¿. There are a spread of Rb?Cl bond distances ranging from 3.37?3.66 ¿. Cu2+ is bonded to one Br1- and five Cl1- atoms to form corner-sharing CuBrCl5 octahedra. The corner-sharing octahedral tilt angles are 2ʻ. The Cu?Br bond length is 2.55 ¿. There are a spread of Cu?Cl bond distances ranging from 2.27?2.90 ¿. Br1- is bonded in a 6-coordinate geometry to five Rb1+ and one Cu2+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 6-coordinate geometry to five Rb1+ and one Cu2+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four Rb1+ and two equivalent Cu2+ atoms.
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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 Rb2cubrcl3
|2 local.
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|a Br-cl-cu-rb
|2 local.
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| 710 |
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|a Lawrence Berkeley National Laboratory.
|4 res.
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| 710 |
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|a United States. Department of Energy. Office of Science.
|4 spn.
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| 710 |
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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 http://www.osti.gov/servlets/purl/1664871
|z Full Text (via OSTI)
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|a .b114574492
|b 11-30-21
|c 10-05-20
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|b 12-07-20
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|a University of Colorado Boulder
|b Online
|c Online
|d Online
|e E 1.99:mp-1219782
|h Superintendent of Documents classification
|i web
|n 1
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