Materials Data on Cs2BiAuCl6 by Materials Project [electronic resource]
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Full Text (via OSTI) |
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| 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.
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| Subjects: |
| Abstract: | Cs2AuBiCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, faces with four equivalent AuCl6 octahedra, and faces with four equivalent BiCl6 octahedra. All Cs?Cl bond lengths are 3.87 ¿. Au1+ is bonded to six equivalent Cl1- atoms to form AuCl6 octahedra that share corners with six equivalent BiCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0ʻ. All Au?Cl bond lengths are 2.73 ¿. Bi3+ is bonded to six equivalent Cl1- atoms to form BiCl6 octahedra that share corners with six equivalent AuCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0ʻ. All Bi?Cl bond lengths are 2.74 ¿. Cl1- is bonded to four equivalent Cs1+, one Au1+, and one Bi3+ atom to form a mixture of distorted face, edge, and corner-sharing ClCs4BiAu octahedra. The corner-sharing octahedra tilt angles range from 0?60ʻ |
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| Item Description: | Published through Scitech Connect. 05/02/2020. "mp-1113443." Persson, Kristin; Project, Materials. |
| Physical Description: | : digital, PDF file. |