Wodegongjieite, ideally KCa3(Al7Si9)O-32, a new sheet silicate isostructural with the feldspar polymorph kokchetavite, KAlSi3O8

Wodegongjieite occurs in the Cr-11 chromitite orebody of the Luobusa ophiolite in the Kangjinla district, Tibet, China. It is found in two inclusions in corundum: (1) as a partial overgrowth (holotype) up to 1.5 mu m thick around a spheroid 20 mu m across of wenjiite (Ti-10(Si,P,square)(7)), kangjinlaite (Ti-11(Si,P)(10)), zhiqinite (TiSi2) and badengzhuite (TiP), and (2) as pools up to 0.25 mu m wide filling interstices between wenjiite, jingsuiite (TiB2), osbornite-khamrabaevite (Ti[N,C]) and corundum. Energy dispersive analyses gave Al2O3 34.09, SiO2 49.11, K2O 2.56, CaO 11.71, SrO 2.53, total 100.0 wt.%, corresponding to K0.58Sr0.26Ca2.25Al7.20Si8.80O31.20, ideally KCa3(Al7Si9)O-32, for Si + Al = 16 cations.Single-crystal studies were carried out with three-dimensional electron diffraction providing data for an ab initio structure solution in the hexagonal space group P6/mcc (#192) with a = 10.2(2) angstrom, c = 14.9(3) angstrom, V = 1340(50) angstrom(3) and Z = 2. Density (calc.) = 2.694 g.cm(-3). The refinement, which assumes complete Si-Al disorder, gives average T1-O and T2-O bond lengths both as 1.65 angstrom. It was not practical to use unconstrained refinement for the occupancies of the large cation sites 6f and 2a. The ab initio model shows clearly that the two cation sites have different sizes and coordination. Consequently, we imposed the condition (1) that all the K occupies the 2a site as the average K-O bond length of 3.07 angstrom is close to the average K-O bond lengths reported in kokchetavite and (2) that all the Ca occupies the 6f site as the average Ca-O bond length of 2.60 angstrom (2.36 angstrom and 2.84 angstrom for Ca-O1 and Ca-O3, respectively) is reasonable for Ca-O. Assuming that all K and all Ca are located at the 2a site and 6f site, respectively, Sr occupancies of these sites could be refined. Thermal parameters are positive and in a reasonable range. The structure is a sheet silicate isostructural with the K-feldspar polymorph kokchetavite, with two crystallographically distinct sites for K, but not with the topologically identical anorthite polymorph dmisteinbergite (CaAl2Si2O8) with only a single site for Ca. Substitution of K by Ca at the 6f site is associated with marked rotation of the Si,Al tetrahedra and a collapse of the structure to accommodate the smaller Ca ion.The spheroid of intermetallic phases is believed to have formed from the interaction of mantle-derived CH4 + H-2 fluids with basaltic magmas at depths of similar to 30-100 km, resulting in precipitation of corundum that entrapped intermetallic melts. Associated immiscible silicate melt of granodioritic composition crystallised metastably to wodegongjieite instead of a mixture of anorthite and K-feldspar.