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Synthesis, Crystal Structure, and Compressibilities of Mn3-xIr5B2+x (0 ≤ x ≤ 0.5) and Mn2IrB2
被引:5
|作者:
Petermueller, Benedikt
[1
]
Neun, Christopher
[2
]
Stekiel, Michal
[2
]
Zimmer, Dominik
[2
]
Tribus, Martina
[3
]
Wurst, Klaus
[1
]
Winkler, Bjoern
[2
]
Huppertz, Hubert
[1
]
机构:
[1] Leopold Franzens Univ Innsbruck, Inst Allgemeine Anorgan & Theoret Chem, Innrain 80-82, A-6020 Innsbruck, Austria
[2] Goethe Univ Frankfurt Main, Abt Kristallog, Inst Geowissensch, Altenhoferallee 1, D-60438 Frankfurt, Germany
[3] Leopold Franzens Univ Innsbruck, Inst Mineral & Petrog, Innrain 52, A-6020 Innsbruck, Austria
关键词:
borides;
compressibility;
crystal structures;
density functional calculations;
EDX measurements;
high-temperature synthesis;
RHODIUM BORIDES;
COMPLEX BORIDES;
PRESSURE;
SUBSTITUTION;
DIBORIDE;
MN;
FE;
CU;
SUPERCONDUCTIVITY;
MO2IRB2-TYPE;
D O I:
10.1002/chem.201803235
中图分类号:
O6 [化学];
学科分类号:
0703 ;
摘要:
The new ternary transition metal borides Mn3-xIr5B2+x (0 <= x <= 0.5) and Mn2IrB2 were synthesized from the elements under high temperature and high-pressure/high-temperature conditions. Both phases can be synthesized as powder samples in a radio-frequency furnace in argon atmosphere. High-pressure/high-temperature conditions were used to grow single-crystals. The phases represent the first ternary compounds within the system Mn-Ir-B. Mn3-xIr5B2+x (0 <= x <= 0.5) crystallizes in the Ti3Co5B2 structure type (P4/mbm; no. 127) with parameters a=9.332(1), c=2.896(2)angstrom, and Z=2. Mn2IrB2 crystallizes in the beta-Cr2IrB2 crystal structure type (Cmcm; no. 63) with parameters a=3.135(3), b=9.859(5), c=13.220(3)angstrom, and Z=8. The compositions of both compounds were confirmed by EDX measurements and the compressibility was determined experimentally for Mn3-xIr5B2+x and by DFT calculations for Mn2IrB2.
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页码:14679 / 14685
页数:7
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