AbstractThe margarosanite group (now officially confirmed by IMA-CNMNC) consists of triclinic Ca-(Ba, Pb) cyclosilicates with three-membered [Si3O9]6– rings (3R), with the general formula AB2Si3O9, where A = Pb, Ba and Ca and B = Ca. A closest-packed arrangement of O atoms parallel to (101) hosts Si and B cations in interstitial sites in alternating layers. The 3R layer has three independent Si sites in each ring. Divalent cations occupy three independent sites: Ca in B occupies two nonequivalent sites, Ca1 (8-fold coordinated), and Ca2 (6-fold coordinated). A (=Ca3) is occupied by Pb2+ (or Ba2+) in 6+4 coordination, or 6+1 when occupied by Ca; this third site occurs within the 3R-layer in a peripheral position. Three minerals belong to this group: margarosanite (ideally PbCa2Si3O9), walstromite (BaCa2Si3O9) and breyite (CaCa2Si3O9). So far, no solid solutions involving the Ca1 and Ca2 sites have been described. Therefore, root names depend on the composition of the Ca3 site only. Isomorphic replacement at the Ca3 sites has been noted. We here report data on a skarn sample from the Jakobsberg Mn–Fe oxide deposit, in Värmland, Sweden, representing intermediate compositions on the walstromite–margarosanite binary, in the range ca. 50–70% mol.% BaCa2Si3O9. The Pb-rich walstromite is associated closely with celsian, phlogopite, andradite, vesuvianite, diopside and nasonite. A crystal-structure refinement (R1 = 4.8%) confirmed the structure type, and showed that the Ca3 (Ba, Pb) site is split into two positions separated by 0.39 Å, with the Ba atoms found slightly more peripheral to the 3R-layers.
Redetermination of Sr2PdO3 from single-crystal X-ray data
