research communications Redetermination of brackebuschite, 3+ Pb2Mn (VO4)2(OH) ISSN 2056-9890 Barbara Lafuente* and Robert T. Downs University of Arizona, 1040 E. 4th Street, Tucson, AZ 85721-0077, USA. *Correspondence e-mail:
[email protected] Received 20 January 2016 3+ Accepted 1 February 2016 The crystal structure of brackebuschite, ideally Pb2Mn (VO4)2(OH) [dilead(II) manganese(III) vanadate(V) hydroxide], was redetermined based on single- crystal X-ray diffraction data of a natural sample from the type locality Sierra de Edited by M. Weil, Vienna University of Cordoba, Argentina. Improving on previous results, anisotropic displacement Technology, Austria parameters for all non-H atoms were refined and the H atom located, obtaining a significant improvement of accuracy and an unambiguous hydrogen-bonding Keywords: crystal structure; redetermination; brackebuschite; Raman spectroscopy. scheme. Brackebuschite belongs to the brackebuschite group of minerals with 2+ general formula A2M(T1O4)(T2O4)(OH, H2O), with A =Pb , Ba, Ca, Sr; M = 2+ 2+ 3+ 3+ 5+ 5+ 5+ 5+ 6+ CCDC reference: 1451240 Cu , Zn, Fe ,Fe ,Mn ,Al;T1=As ,P,V ; and T2=As ,P,V ,S .The crystal structure of brackebuschite is based on a cubic closest-packed array of O 3+ Supporting information: this article has and Pb atoms with infinite chains of edge-sharing [Mn O6] octahedra located supporting information at journals.iucr.org/e about inversion centres and decorated by two unique VO4 tetrahedra (each located on a special position 2e, site symmetry m). One type of VO4 tetrahedra is 1 linked with the 1[MnO4/2O2/1] chain by one common vertex, alternating with H atoms along the chain, while the other type of VO4 tetrahedra link two adjacent octahedra by sharing two vertices with them and thereby participating in the formation of a three-membered Mn2V ring between the central atoms.