A formula for the calculation of the number of Wyckoff sequences of a given length is presented, based on the combinatorics of multisets with finite multiplicities and a generating function approach, assuming a certain space-group type and taking into account the number of non-fixed and fixed Wyckoff positions, respectively. The formula is applied to the 44 distinguishable combinatorial types of the 230 space-group types. A comparison is made between the calculated frequencies of occurrence of Wyckoff sequences of given space-group type and length and the observed ones for actual crystal structures, as retrieved from the Pearson's Crystal Data Crystal Structure Database for Inorganic Compounds.
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http://dx.doi.org/10.1107/S2053273321013565 | DOI Listing |
In September 2021, eight campylobacteriosis cases were identified in a town in Nebraska, USA. We assessed potential exposures for a case-control analysis. We conducted whole-genome sequencing on Campylobacter isolates from patients' stool specimens.
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July 2024
Department of Obstetrics and Gynecology, Wyckoff Heights Medical Center, Brooklyn, New York.
Inorg Chem
July 2024
Institut für Anorganische und Analytische Chemie, Universität Münster, Corrensstraße 30, 48149 Münster, Germany.
GdAlRh was synthesized from the elements using arc-melting techniques, along with subsequent annealing. The title compound adopts the hexagonal MgZn type structure (space group 6/, 12, Wyckoff sequence ) with the Gd atoms found on the Mg positions (4), the Rh (2) and Al (6) atoms occupying the two Zn sites of the prototype. In addition, mixing of Rh and Al on both crystallographic positions is observed.
View Article and Find Full Text PDFACS Appl Mater Interfaces
July 2024
Department of Chemistry, Iowa State University, Ames, Iowa 50011, United States.
Three polyanionic tellurides, BaCuTe ( = K, Rb, Cs), were synthesized in salt flux. The isostructural tellurides crystallize in a new structure type, in the cubic 3 space group with a Wyckoff sequence of and large unit cell volumes of over 5500 Å. The structures feature a framework of [CuTe] tetrahedra and [CuTe] trigonal pyramids with disorder in the Cu sites.
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