Investigations of Some Disordered Quaternary Compounds in the Systems Ag/Pb/Sb/Se and Ag/Pb/Sb/Te
Abstract
:1. Introduction
2. Materials and Methods
2.1. Sample Preparation
2.2. Powder X-ray Diffraction and Rietveld Refinements
2.3. Single-Crystal X-ray Diffraction
2.4. Electron Microscopy and Energy-Dispersive X-ray Spectroscopy
2.5. Transport Properties
3. Results and Discussion
3.1. Ag1/3Pb1/3Sb1/3Se
3.2. Ag0.61Pb1.79Sb2.61Se6
3.3. Ag0.38Pb0.25Sb2.38Te4
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Data Availability Statement
Acknowledgments
Conflicts of Interest
References
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Empirical Formula | Ag1/3Pb1/3Sb1/3Se | Ag0.38Pb0.25Sb2.38Te4 | Ag0.61Pb1.79Sb2.61Se6 |
---|---|---|---|
M (in g∙mol−1) | 224.56 | 892.19 | 1226.96 |
crystal system/space group | cubic/Fmm (№ 225) | trigonal/Rm (№ 166) | orthorhombic/Cmcm (№ 63) |
cell parameters (in Å) | a = 5.9268(7) | a = 4.2887(1) c = 41.544(1) | a = 4.2118(1) b = 13.859(1) c = 20.862(1) |
V (in ų) | 208.19(7) | 661.74(3) | 1217.74(11) |
X-ray density (in g∙cm−3) | 7.165 | 6.716 | 6.692 |
Z (per unit cell) | 4 | 3 | 4 |
F(000) | 376 | 1102 | 2048 |
radiation | Ag-Kα1 | synchrotron | |
λ (in Å)/E (in keV) | 0.56086/22.106 | 0.500/24.800 | |
absorption correction | semiempirical (LANA) [45] | semiempirical (SADABS) [48] | |
μ (in mm−1) | 27.775 | 9.902 | 19.408 |
resolution (in Å) | 0.60 | 0.71 | 0.65 |
parameters/constraints | 4/0 | 19/3 | 43/3 |
weighting scheme P = [Max(0, Fo2) + 2Fc2]/3 | w = 1/(σ2(Fo2) + (0.0152 P)2) | w = 1/(σ2(Fo2) + (0.0361 P)2 + 3.0996 P) | w = 1/(σ2(Fo2) + (0.0313 P)2 + 4.0 P) |
∆ρmax/∆ρmin (in e/Å3) | 0.494/−0.434 | 2.126/−2.081 | 1.746/−2.632 |
θmin/θmax | 4.701/27.619 | 2.069/20.586 | 2.179/22.618 |
reflections collected | 1342 | 3975 | 9589 |
independent reflections | 40 | 294 | 1325 |
Rint/Rσ | 0.0378/0.0075 | 0.0278/0.0139 | 0.0558/0.0434 |
R1/wR2 [observed] | 0.0133/0.0269 | 0.0203/0.0599 | 0.0360/0.0965 |
R1/wR2 [all data] | 0.0133/0.0269 | 0.0208/0.0605 | 0.0413/0.0991 |
GooF [all data] | 1.201 | 1.128 | 1.348 |
Ag0.38Pb0.25Sb2.38Te4 | Ag0.61Pb1.79Sb2.61Se6 | ||||
---|---|---|---|---|---|
Ag1/Pb1/Sb1 | Ag2/Pb2/Sb2 | Pb1 | Ag2/Pb2/Sb2 | Ag3/Pb3/Sb3 | |
Ag | 1.248 | 1.302 | - | 0.909 | 1.048 |
Pb | 3.045 | 3.180 | 2.058 | 2.902 | 3.349 |
Sb | 2.589 | 2.706 | - | 2.378 | 2.626 |
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Grauer, M.; Benndorf, C.; Rohr, V.; Paulmann, C.; Oeckler, O. Investigations of Some Disordered Quaternary Compounds in the Systems Ag/Pb/Sb/Se and Ag/Pb/Sb/Te. Crystals 2024, 14, 789. https://doi.org/10.3390/cryst14090789
Grauer M, Benndorf C, Rohr V, Paulmann C, Oeckler O. Investigations of Some Disordered Quaternary Compounds in the Systems Ag/Pb/Sb/Se and Ag/Pb/Sb/Te. Crystals. 2024; 14(9):789. https://doi.org/10.3390/cryst14090789
Chicago/Turabian StyleGrauer, Maxim, Christopher Benndorf, Valentin Rohr, Carsten Paulmann, and Oliver Oeckler. 2024. "Investigations of Some Disordered Quaternary Compounds in the Systems Ag/Pb/Sb/Se and Ag/Pb/Sb/Te" Crystals 14, no. 9: 789. https://doi.org/10.3390/cryst14090789