Structure and Transport Properties of Dense Polycrystalline Clathrate-II (K,Ba)16(Ga,Sn)136 Synthesized by a New Approach Employing SPS
Abstract
:1. Introduction
2. Sample Preparation
3. Results and Discussion
4. Conclusions
Acknowledgments
Author Contributions
Conflicts of Interest
References
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K7.1(2)Ba8.8(3)Ga25.1(4)Sn110.8(3) | K2.9(4)Ba13.1(2)Ga23.2(3)Sn112.7(5) | |
---|---|---|
Space group, Z | Fdm, 1 | |
a, Å | 17.0001 (7) | 17.0182 (5) |
V, Å3 | 4913.10 (6) | 4928.80 (4) |
Radiation | Graphite monochromated Cu Kα (1.5405 Å) | |
T (K) | 295 | 295 |
θ limits, deg. | 5 to 30 | 5 to 30 |
R indices | 0.1637, 0.0995 (wRp, Rp) a | 0.1261, 0.0992 (wRp, Rp) a |
Goodness-of-fit on F2 | 2.08 | 2.23 |
Ga1/Sn1 x and y | 0.06791 | 0.06794 |
Ga1/Sn1 z | 0.37267 | 0.37276 |
Sn2 x, y, and z | 0.21816 | 0.21815 |
Ga3/Sn3 x, y, and z | 0.125 | 0.125 |
Uiso for K/Ba | 0.0146 | 0.0209 |
Uiso for Ga1/Sn1 | 0.0141 | 0.0145 |
Uiso for Sn2 | 0.0149 | 0.0142 |
Uiso for Ga3/Sn3 | 0.0121 | 0.0286 |
K/Ba—Ga1/Sn1, Å | 3.90693 (12) | 3.91165 (8) |
K/Ba—Sn2, Å | 3.78691 (15) | 3.79083 (11) |
K/Ba—Ga3/Sn3, Å | 3.68062 (11) | 3.68454 (8) |
Ga1/Sn1—Sn2, Å | 2.76613 (10) | 2.77084 (7) |
Sn2—Ga3/Sn3, Å | 2.74310 (8) | 2.74572 (6) |
Stoichiometry | K6.9(4)Ba8.9(5)Ga23.5(2)Sn112.3(3) |
---|---|
Space group, Z | Fdm, 1 |
a, Å | 17.0006 (3) |
V, Å3 | 4917.08 (2) |
Radiation | Cu Kα, INCOATEC Imus micro-focus source (λ = 1.54178 Å) |
T (K) | 100 |
Absorption coefficient (mm−1) | 10.615 |
θ limits, degree | 6.07 to 72 |
No. Unique data with | 6310/210 [R(int) = 0.0386] |
No. of unique data with > 2σ () | 212 |
R indices | 0.0508, 0.0370 (wR2, R1) a |
Goodness-of-fit on F2 | 2.994 |
Max. and Min. residual e- density(e/Å3) | 0.260/−0.259 |
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Wei, K.; Zeng, X.; Tritt, T.M.; Khabibullin, A.R.; Woods, L.M.; Nolas, G.S. Structure and Transport Properties of Dense Polycrystalline Clathrate-II (K,Ba)16(Ga,Sn)136 Synthesized by a New Approach Employing SPS. Materials 2016, 9, 732. https://doi.org/10.3390/ma9090732
Wei K, Zeng X, Tritt TM, Khabibullin AR, Woods LM, Nolas GS. Structure and Transport Properties of Dense Polycrystalline Clathrate-II (K,Ba)16(Ga,Sn)136 Synthesized by a New Approach Employing SPS. Materials. 2016; 9(9):732. https://doi.org/10.3390/ma9090732
Chicago/Turabian StyleWei, Kaya, Xiaoyu Zeng, Terry M. Tritt, Artem R. Khabibullin, Lilia M. Woods, and George S. Nolas. 2016. "Structure and Transport Properties of Dense Polycrystalline Clathrate-II (K,Ba)16(Ga,Sn)136 Synthesized by a New Approach Employing SPS" Materials 9, no. 9: 732. https://doi.org/10.3390/ma9090732