Kapundaite, [(Na,Ca).sub.2][Fe.sup.3+.sub.4] [(P[O.sub.4]).sub.4][(OH).sub.3] x 5[H.sub.2]O, a new phosphate species from Toms quarry, South Australia: description and structural relationship to melonjosephite

Kapundaite, ideally [(Na,Ca).sub.2][Fe.sup.3+.sub.4][(P[O.sub.4]).sub.4] [(OH).sub.3] x 5[H.sub.2]O, is a new mineral (IMA2009-047) from Toms phosphate quarry, Kapunda, South Australia, Australia. The new mineral occurs as cavernous aggregates of fibers up to several centimeters across, associated with leucophosphite, natrodufrenite, and meurigite-Na crystals and amorphous brown, black, and/or greenish coatings. Individual kapundaite crystals are very thin flattened fibers up to a few millimeters in length, but typically no more than a few micrometers in thickness. The main form observed is {100}; other forms in the [010] zone are present, but cannot be measured. Crystals of kapundaite are pale to golden yellow, transparent to translucent, have a yellow streak and silky luster, and are non-fluorescent. Mohs hardness is estimated to be about 3; no twinning or cleavage was observed. Kapundaite is biaxial (+), with indices of refraction [alpha] = 1.717(3), [beta] = 1.737(3), and [gamma] = 1.790(3). 2V could not be measured; [2V.sub.cale] is 64.7[degrees]. The optical orientation is Z = b, Y [approximately equal to] c with weak pleochroism: X= nearly colorless, Y= light brown, Z = pale brown; absorption: Y> Z > X. No dispersion was observed. The empirical chemical formula (mean of seven electron microprobe analyses) calculated on the basis of 24 O is ([Ca.sub.1.13][Na.sub.0.95])[summation]2.08[([Fe.sup.3+.sub.3.83] [Mn.sub.0.03][Al.sub.0.02][Mg.sub.0.01]).sub.[summation]3.89] [P.sub.3.92][O.sub.16]([OH).sub.3] x 5[H.sub.2.11]O. Kapundaite is triclinic, space group P[bar.1], a = 6.317(5), b - 7.698(6), c = 9.768(7) [Angstrom], [alpha] = 105.53[(1).sup.o], [beta] = 99.24[(2).sup.o], [gamma] = 90.09[(2).sub.o], V = 451.2(6) [[Angstrom].sup.3], and Z- 1. The five strongest lines in the powder X-ray diffraction pattern are [[d.sub.obs] in [Angstrom], (I) (hkl)]: 9.338 (100) (001 ), 2.753 (64) (2[bar.1]1), 5.173 (52) (011 ), 2.417 (48) ([bar.2][bar.1]-3, 202, 0[bar.1]4), and 3.828 (45)(0[bar.2]1). The crystal structure was solved from single-crystal X-ray diffraction data using synchrotron radiation and refined to [R.sub.1] = 0.1382 on the basis of 816 unique reflections with [F.sub.o] > 4[sigma]F. The structure of kapundaite is based on a unique corrugated octahedral-tetrahedral sheet, which is composed of two types of chains parallel to a. Kapundaite is structurally related to melonjosephite. The mineral is named for the nearest town to the quarry. Keywords: Kapundaite, new mineral, phosphate, Toms phosphate quarry, crystal structure, octahedral-tetrahedral sheet, melonjosephite DOI: 10.2138/am.2010.3466