Phosphovanadylite: a new vanadium phosphate mineral with a zeolite-type structure

Phosphovanadylite, whose simplified formula is (Ba,Ca,K,Na)x([(Va,Al)4P2(P,OH)16].12H2), is a new vanadium phosphate zeolite mineral found in the Phosphoria Formation at Monsanto's Enoch Valley Mine, Soda Springs, Idaho. Its formula in more detail is (Ba0.38Ca0.20K0.006Na0.02)??0.66 [P2(V3.44Al0.046)??3.90O10.34(OH)5.66] .12H2O. The drusy mineral occurs as pale greenish-blue euhedral cubes (20-50 ??m edge) coating phosphatic, organic-rich mudstone. The chemical composition determined by electron microprobe is (in weight percent) V-28.02, P-9.91, Al-1.97, Ca-1.31, Ba-8.28, Cd-0.09, Zn-0.34, Na-0.15, K-0.73, O-46.57, and F-0.03. The index of refraction is nD = 1.566 (4) and specific gravity is 2.16 (3). The X-ray powder pattern shows strong reflections at 3.16 A (422), 2.58 (600), 2.44 (620), and 7.73 (200), which are indexed on the basis of a cubic body-centered unit cell with a = 15.470 (4) A. From the single-crystal structure analysis, its space group was determined to be I43m, Z = 6, and its structure consists of V4O18 16 octahedral clusters linked to each other by P atoms to form a cubic lattice, creating cavities 7.0 and 5.5 A in diameter where mainly H2O resides. Final residual indexes are R = 0.066, Rw = 0.061, goodness-of-fit = 0.75, and 93 observations and 24 parameters.