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Refinements of Ag3AsSe3 based on high-order thermal-motion tensors

Published/Copyright: August 25, 2010
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Zeitschrift für Kristallographie - Crystalline Materials
From the journal Zeitschrift für Kristallographie - Crystalline Materials Volume 177 Issue 3-4

Abstract

Ag3AsSe3; rhombohedral, R3c, ahex = 11.299(2), chex = 8.759(3) Å, c/a = 0.7752, Z = 6, is composed of the trigonal pyramids of AsSe3 and Ag atoms, which weakly link the AsSe3 groups. High-order thermal-motion tensor analyses of Ag3AsSe3, based on the Gram-Charlier expansion, have shown that the density distribution of Ag is well expressed by a combination of the first-, the second- and the third-order tensors. The density distribution of Ag is unimodal but strongly distorted from that expected for harmonic vibrations: it occupies a platy region, and tails off long toward three neighboring interstitial sites, each of which is located at about equal distances from the three nearest Ag atoms. The thermal vibrations of other atoms are of much smaller amplitudes than those of Ag, and can be well approximated by harmonic motions.

Published Online: 2010-8-25
Published in Print: 1986-2-1

© 2015 Oldenbourg Wissenschaftsverlag GmbH, Rosenheimer Str. 145, 81671 München

Articles in the same Issue

  1. The thermal expansion of Na2CO3
  2. Crystal structure of a beryllium-potassium polyphosphate: BeK(PO3)3
  3. 4-Amino-2-bromo-6-methyl-5,6,7,8-tetrahydropyrido[2,3-d]-pyrimidine
  4. An X-ray analysis of anomalous dispersion effects, anharmonicity and thermal vibrations in gallium phosphide
  5. An empirical model of optical susceptibilities of crystals I. Refractivity in alkali halides
  6. An empirical model of optical susceptibilities of crystals II. Elasto-optical effect in alkali halides
  7. Refinements of Ag3AsSe3 based on high-order thermal-motion tensors
  8. Crystal and molecular structure of α-naphthil
  9. The crystal and molecular structure of endo,endo-2,6-diphenacyl[4]peristylane
  10. Ancient oriental pattern and related zeolite type networks
  11. The crystal structure of saleeite, Mg[UO2PO4]2 · 10H2O
  12. Calculation of the electron diffraction intensities using the multi-slice method
  13. The triethanolamine complexes of calcium azide and strontium azide
  14. Crystal structure of trans-4-propyl cyclohexyl-4(trans-4-ethyl cyclohexyl) benzoate
  15. The crystal structure of β-NbPO5
  16. Structure of 2,7-dihydro-3,5,8-trimethylazuleno (6-5-b) furan-2,7-dione
  17. Die isotypen Phasen HEF6 · 5H2O · HF (E = P, As, Sb): Neubestimmung der Strukturen an Einkristallen1
  18. Crystal structure of a mixed crystal containing 3-benzoyl-2-phenyl-furo[2,3-b]quinoxaline and 3-benzoyl-2-phenyl-thieno[2,3-b]quinoxaline
  19. Splitpositionen für Alkalimetallkationen in den Thioindaten MIn5S8 (M = K, Rb, Cs)?
  20. Crystal structure of E-2-styrylquinoline(STQ), C17H13N
  21. 10.1515/zkri.1986.177.3-4.155
  22. 10.1515/zkri.1986.177.3-4.165
  23. 10.1515/zkri.1986.177.3-4.171
  24. 10.1515/zkri.1986.177.3-4.177
  25. 10.1515/zkri.1986.177.3-4.185
  26. 10.1515/zkri.1986.177.3-4.201
  27. 10.1515/zkri.1986.177.3-4.211
  28. 10.1515/zkri.1986.177.3-4.219
  29. 10.1515/zkri.1986.177.3-4.229
  30. 10.1515/zkri.1986.177.3-4.237
  31. 10.1515/zkri.1986.177.3-4.247
  32. 10.1515/zkri.1986.177.3-4.255
  33. 10.1515/zkri.1986.177.3-4.263
  34. 10.1515/zkri.1986.177.3-4.271
  35. 10.1515/zkri.1986.177.3-4.277
  36. 10.1515/zkri.1986.177.3-4.287
  37. 10.1515/zkri.1986.177.3-4.291
  38. 10.1515/zkri.1986.177.3-4.301
  39. 10.1515/zkri.1986.177.3-4.307
  40. 10.1515/zkri.1986.177.3-4.315
https://doi.org/10.1524/zkri.1986.177.3-4.211

Articles in the same Issue

  1. The thermal expansion of Na2CO3
  2. Crystal structure of a beryllium-potassium polyphosphate: BeK(PO3)3
  3. 4-Amino-2-bromo-6-methyl-5,6,7,8-tetrahydropyrido[2,3-d]-pyrimidine
  4. An X-ray analysis of anomalous dispersion effects, anharmonicity and thermal vibrations in gallium phosphide
  5. An empirical model of optical susceptibilities of crystals I. Refractivity in alkali halides
  6. An empirical model of optical susceptibilities of crystals II. Elasto-optical effect in alkali halides
  7. Refinements of Ag3AsSe3 based on high-order thermal-motion tensors
  8. Crystal and molecular structure of α-naphthil
  9. The crystal and molecular structure of endo,endo-2,6-diphenacyl[4]peristylane
  10. Ancient oriental pattern and related zeolite type networks
  11. The crystal structure of saleeite, Mg[UO2PO4]2 · 10H2O
  12. Calculation of the electron diffraction intensities using the multi-slice method
  13. The triethanolamine complexes of calcium azide and strontium azide
  14. Crystal structure of trans-4-propyl cyclohexyl-4(trans-4-ethyl cyclohexyl) benzoate
  15. The crystal structure of β-NbPO5
  16. Structure of 2,7-dihydro-3,5,8-trimethylazuleno (6-5-b) furan-2,7-dione
  17. Die isotypen Phasen HEF6 · 5H2O · HF (E = P, As, Sb): Neubestimmung der Strukturen an Einkristallen1
  18. Crystal structure of a mixed crystal containing 3-benzoyl-2-phenyl-furo[2,3-b]quinoxaline and 3-benzoyl-2-phenyl-thieno[2,3-b]quinoxaline
  19. Splitpositionen für Alkalimetallkationen in den Thioindaten MIn5S8 (M = K, Rb, Cs)?
  20. Crystal structure of E-2-styrylquinoline(STQ), C17H13N
  21. 10.1515/zkri.1986.177.3-4.155
  22. 10.1515/zkri.1986.177.3-4.165
  23. 10.1515/zkri.1986.177.3-4.171
  24. 10.1515/zkri.1986.177.3-4.177
  25. 10.1515/zkri.1986.177.3-4.185
  26. 10.1515/zkri.1986.177.3-4.201
  27. 10.1515/zkri.1986.177.3-4.211
  28. 10.1515/zkri.1986.177.3-4.219
  29. 10.1515/zkri.1986.177.3-4.229
  30. 10.1515/zkri.1986.177.3-4.237
  31. 10.1515/zkri.1986.177.3-4.247
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  33. 10.1515/zkri.1986.177.3-4.263
  34. 10.1515/zkri.1986.177.3-4.271
  35. 10.1515/zkri.1986.177.3-4.277
  36. 10.1515/zkri.1986.177.3-4.287
  37. 10.1515/zkri.1986.177.3-4.291
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  39. 10.1515/zkri.1986.177.3-4.307
  40. 10.1515/zkri.1986.177.3-4.315
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