Saccoite, Ca2Mn2+3F(OH)(8)center dot 0.5(SO4), a new, microporous mineral from the Kalahari Manganese Field, South Africa

Saccoite, Ca2Mn23+F(OH)(8)center dot 0.5(SO4), is a new mineral found at the N'Chwaning III mine, Kalahari Manganese Field, Northern Cape Province, Republic of South Africa. It occurs as fillings of voids in hydrothermally altered manganese ore (comprising mostly of bixbyite and baryte). Further associated minor minerals are braunite, gypsum, chlorite, sturmanite and ettringite. Saccoite forms small needles, felted crystal masses or crusts. The new mineral is olive green, transparent, with white streak and vitreous lustre. No luminescence is observed. Saccoite is uniaxial (-) with refractive indices at 589(1) nm of omega = 1.705(5) and epsilon = 1.684(2). Pleochroism is distinct, i.e. bluish green (omega) and yellowish green (epsilon). The chemical composition was studied by means of an electron probe micro-analyser (EPMA) using wavelength-dispersive X-ray spectrometry (WDS). The empirical mineral formula is Ca2.06Mn1.783+Cu0.10Mg0.07F0.97(OH)(8.02)(SO4)(0.39). The unit-cell dimensions of saccoite (space group P4/ncc) are a = 12.834(3) angstrom, c = 5.622(2) angstrom, V = 926.0(4) angstrom(3)), and the calculated mass density is 2.73 g.cm(-3). Saccoite exhibits a heteropolyhedral framework structure that is composed of edge- and corner sharing CaF2(OH)(6) and M(OH)(6) polyhedra (M= Mn3+ and Cu2+) with large channels along [001], which host disordered and only partially occupied groups, especially SO42-. The hydrogen atoms of the OH groups point into the channel to form hydrogen bonds with the channel anions. Ca-F distances are similar to 2.3 angstrom, the Ca-OH distances in the range of 2.44-2.58 angstrom, and the M(OH)(6) octahedron is strongly 4+2 Jahn-Teller distorted (4 x similar to 1.92 angstrom, 2 x 2.27 angstrom). The F atom is tetrahedrally coordinated to calcium atoms. The strongest lines in the powder X-ray diffraction pattern [d in angstrom (relative intensity) (hkl)] are: 9.0735 (35) (110), 4.5370 (95) (220), 4.0644 (20) (310), 3.0105 (100) (321), 2.8117 (20) (002), 2.7242 (75) (411), 1.9755 (35) (611), and 1.8142 (20) (550).