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Title: Stabilization of a Metastable Fibrous Bi 21.2(1)(Mn 1–xCo x ) 20 Phase with Pseudo-Pentagonal Symmetry Prepared Using a Bi Self-Flux

Bi 21.2(1)(Mn 1–xCo x ) 20 is a new metastable phase which is synthesized via Bi self-flux, adopts a highly fibrous morpholo-gy, and decomposes endothermically near 168 °C. It crystallizes in the orthorhombic space group Imma with unit cell parameters α = 19.067(4) Å, $b$ = 4.6071(10) Å and c = 11.583(4) Å, adopting a low-temperature modification of BiNi-type structure by forming columns along the b-axis. Wave-length-dispersive X-ray spectroscopy (WDS) confirms the presence of Co in the structure, which is found to be 7 at.%. In each column, the transition metal (T) and Bi atoms construct a double-walled nanotubular arrangement of atoms around the disordered central Bi atoms. Electronic structure calculations (LMTO-ASA, LSDA) show that the calculated Fermi level falls into a pseudogap and also indicate a possible low-temperature magnetic ordering in the phase.
Authors:
 [1] ;  [1] ;  [2] ;  [3] ;  [3] ;  [4] ;  [1] ;  [5] ;  [1] ;  [2] ;  [1] ;  [6]
  1. Ames Lab. and Iowa State Univ., Ames, IA (United States)
  2. (United States). Dept. of Physics and Astronomy
  3. Iowa State Univ., Ames, IA (United States). Dept. of Physics and Astronomy
  4. Iowa State Univ., Ames, IA (United States). Dept. of Chemistry
  5. (United States). Dept. of Materials Science and Engineering
  6. (United States). Dept. of Chemistry
Publication Date:
Report Number(s):
IS-J-9183
Journal ID: ISSN 0897-4756; TRN: US1701248
Grant/Contract Number:
AC02-07CH11358
Type:
Accepted Manuscript
Journal Name:
Chemistry of Materials
Additional Journal Information:
Journal Volume: 28; Journal Issue: 23; Journal ID: ISSN 0897-4756
Publisher:
American Chemical Society (ACS)
Research Org:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Advanced Manufacturing Office (EE-5A)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
OSTI Identifier:
1347900