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Daniel Nyfeler, Christina Hoffmann, Thomas Armbruster, Martin Kunz, and Eugen Libowitzky
Orthorhombic Jahn-Teller distortion and Si-OH in mozartite CaMn3+O[SiO3OH]: A single-crystal X-ray, FTIR, and structure modeling study 841
Item #AM-97-643
Table 1. Observed and calculated structure factors for mozartite
Nyfeler_p841_97_T1.pdf (22 MB) PDF
Table 6. Observed and calculated interatomic distances [Å] and valences for mozartite and vuagnatite
Nyfeler_p841-848_97_T6.xls (24 K) MS excel file
Michael E. Fleet and Yuanming Pan
Site preference of rare earth elements in fluorapatite: Binary (LREE+HREE)-substituted crystals 870
Item #AM-97-646
Table 5. Observed and Calculated Structure Factors
Fleet_p870_97_T5.txt (116 K) Text File
Michael Haiber, Pietro Ballone, and Michele Parrinello
Structure and dynamics of protonated Mg2SiO4: An ab-initio molecular dynamics study 913
Item #AM-97-648
Table 4. Optimized lattice parameters and atomic positions for spinel
Haiber_p913_97_T4.txt (8 K) text file
Table 5. Optimized lattice parameters and atomic positions for beta spinel
Haiber_p913_97_T5.txt (8 K) text file
Table 6. Optimized lattice parameters and atomic positions for olivine
Haiber_p913_97_T6.txt (8 K) text file
Table 7. Atomic coordinates for all optimized hydrogenated structures
Haiber_p913_97_T7.txt (28 K) text file
Item #AM-97-649
Appendix tables with trajectories for all phases
Haiber_p913_97_App.html (4 K)
Maria Franca Brigatti, Ermanno Galli, Luca Medici, and Luciano Poppi
Crystal structure refinement of aluminian lizardite-2H2 931
Item #AM-97-645
Table 5. calculated and observed structure factors for lizardite
Brigatti_p931_97_T5.txt (12 K) text file
Elisa Alietti, Maria Franca Brigatti, and Luciano Poppi
Clintonite-1M: Crystal chemistry and its relationships to closely associated Al-rich phlogopites 936
Item #AM-97-647
Table 4. Crystallographic coordinates, isotropic, and anisotropic temperature factors for clintonite.
Alietti_p936_97_T4.doc (24 K) Microsoft Word File
Table 7a. Observed and calculated structure factors Sample Cli5a.
Alietti_p936_97_T7a.txt (24 K) text file
Table 7b. Observed and calculated structure factors Sample Cli7c.
Alietti_p936_97_T7b.txt (24 K) text file
Table 7c. Observed and calculated structure factors Sample Cli8a. (not available)
Table 7d. Observed and calculated structure factors Sample Cli8d. (not available)
Table 7e. Observed and calculated structure factors Sample Cli9a. (not available)
Table 7f. Observed and calculated structure factors Sample Cli9b.
Alietti_p936_97_T7f.txt (20 K) text file
Christina Hoffmann, Thomas Armbruster, and Gerald Geister
Acentric structure (P3) of bechererite, Zn7Cu(OH)13[SiO(OH)3SO4] 1014
Item #AM-97-644
Table 2. Observed and calculated structure factors for bechererite.
Hoffmann_p1014_97_T2.txt (36 K) text file
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