Affiliation:
1. Institut für Anorganische und Analytische Chemie , Universität Münster , Corrensstraße 30 , 48149 Münster , Germany
2. 10 rue Combe Noire , 83210 Solliès-Toucas , France
Abstract
Abstract
BaSO4, orthorhombic, Pnma (no. 62), a = 8.8806(8) Å, b = 5.4539(5) Å, c = 7.1570(7) Å, V = 346.64(6) Å3, Z = 4, Rgt
(F
2) = 0.0141, wRref
(F
2) = 0.0329, T = 293 K.
Subject
Inorganic Chemistry,Condensed Matter Physics,General Materials Science
Reference21 articles.
1. X-Area. The Stoe Single Crystal Diffraction Software Package; STOE & Cie GmbH: Darmstadt, Germany.
2. Petříček, V., Dušek, M., Palatinus, L. Crystallographic computing system JANA2006: general features. Z. Kristallogr. 2014, 229, 345–352.
3. Palatinus, L. The charge-flipping algorithm in crystallography. Acta Crystallogr. 2013, B69, 1–16; https://doi.org/10.1107/s0108768112051361.
4. Palatinus, L., Chapuis, G. SUPERFLIP – a computer program for the solution of crystal structures by charge flipping in arbitrary dimensions. J. Appl. Crystallogr. 2007, 40, 786–790; https://doi.org/10.1107/s0021889807029238.
5. Villars, P., Cenzual, K. Pearson’s Crystal Data: Crystal Structure Database for Inorganic Compounds (release 2022/23); ASM International®: Materials Park, Ohio (USA), 2022.