Paraershovite, Na3K3Fe3+2(Si4O10OH)2(OH)2(H 2O)4, a new mineral species from the Khibina Alkaline Massif, Kola peninsula, Russia : description and crystal structure

Paraershovite,Na3K3Fe3+2(Si4O10OH)2(OH)2(H 2O)4, is a new silicate mineral species discovered in a hyperagpaitic pegmatite from Mount Yukspor, Khibina alkaline massif. Kola Peninsula, Russia. The mineral occurs as equant (100) platy and [001] elongate prismatic crystals up to 0.5-1 mm and aggregates up to 2-3 mm sporadically scattered in a pegmatite matrix. Associated minerals are sodalite, aegirine, arfvedsonite, pectolite, shcherbakovite, lamprophyllite, lomonosovite, shafranovskite, villiaumite and natrophosphate. Crystals of paraershovite are yellow with orange or pinkish shades, with a white streak and vitreous luster. The mineral is translucent or transparent, and non-fluorescent under 240-400 nm ultraviolet radiation. Paraershovite has a perfect 100 cleavage. It is brittle, has a step-like and splintery fracture, and a Mohs hardness of 3. Its observed and calculated densities (g/cm3) are 2.60(3) (by microvolumetric methods) and 2.584 (using the empirical formula), respectively. It is biaxial positive, with \u3b1 1.569(2), \u3b2 1.583(2), 7\u3b3 1.602(2), 2V(meas.) = 80(3)7deg;, 2V(calc.) = 82\ub0, non-pleochroic, dispersion r > \u3bd (weak), with X \u39b c = 84\ub0, Y \u39b c = 66\ub0, Z \u3bb c = 24\ub0. Paraershovite is triclinic, space group P1\u304, a 10.1978(5), b 12.0155(6), c 5.2263(3) \uc5, \u3b1 103.439(1), \u3b2 96.020(1), \u3b3 91.683(1)\ub0, V618.46(3J \uc53, Z = 1. The strongest lines in the X-ray powderniiffraction pattern [d in A(I)(AW)] are: 11.778(100)(010), 4.390(70)( 11\u3041, 02\u3041), 3.012(70)(230, 3\u30420), 2.606(70)(32\u3041,131,012,11\u3042), 4.109(60)(1\u30411 ,12\u3041) and 2.730(60)(32\u3041,14\u3041,14\u3041,31\u3041,221). A chemical analysis with an electron microprobe gave Na20 7.77, MgO0.24, Si02 49.67, Al2O30.58, K20 14.07, Fe203 11.29, MnO 0.73,Ti02 3.32, F0.39, H20 10.98,0 = F-0.16, sum 98.88 wt.%; the valence state of Fe was determined by M\uf6ssbauer spectroscopy, and the amount of H20 was calculated from the crystal-structure refinement. The empirical formula based on 28 anions is (Na2.44\u25a1156)\u3c34K 2.91 (Fe3+1.38Ti0.40Al 0.11Mn2+0.10Mgi0.06) 112.05Si8.05O20 [(OH)3.80 F 0.20] 114(H2O)4. The IR spectrum of the mineral has absorption bands at 1600 and 3500 cm-1, showing the presence of H2O and OH groups in the stnicture. The crystal structure of paraershovite was solved by direct methods and refined to an R1 index of 4.28% (for 2134 observed [Fo>4\u3c3F] unique reflections measured with MoK\u3b1 radiation on a Bruker P4 diffractometer with a CCD 4K APEX detector). The crystal structure of paraershovite is isostructural with that of ershovite, ideally Na4K 3(Fe2+,Mn,Ti)2 (Si4O 10OH)2(OH)2(H2O)4 (a 10.244, b 11.924, c 5.276 \uc5, \u3b1 103.491, \u3b2 96.960, \u3b3 91.945\ub0, V 620.8 \uc53, space group P\u12b). Paraershovite is a Na-deficient, Fe3+-dominant analogue of ershovite. It can be considered an oxidized product of the epithermal alteration of ershovite. Paraershovite is chemically related to ershovite by the heterovalent substitution \u25a1 + Fe23+ \u2192 Na++M 22.5+, where M2.5+ represents Fe2+, Mn2+ and Ti4+. The name paraershovite, derived from the Greek para (close by) and ershovite, recalls the close structural, chemical and genetic relations between paraershovite and ershovite