The crystal structures of three nepheline samples, (1) , from the Khibina-Lovozero complex, Kola Peninsula, Russia, (2) , from Monte Somma, Italy, have been refined to R 1 indices of 1.8, 2.7 and 1.7% using 1273, 1191 and 1364 unique observed (| F o | > 4F) reflections collected with a single-crystal diffractometer and MoK␣ X-radiation. No superstructure reflections were observed. Viewed down [001], the aluminosilicate tetrahedra occur at the vertices of a 6 3 net in which there are two distinct types of six-membered rings of tetrahedra: one quarter are nearly regular hexagonal rings centered on (0, 0, z), whereas the other three-quarters are flattened hexagonal rings centered on 0 ½ z. In both rings, the tetrahedra have the sequence ududud, and linkage up and down c forms a four-connected three-dimensional framework. The A site is located in the channel along 0 0 z and is [9]-coordinated by oxygen atoms between 2.97 and 3.04 Å;
Megakalsilite, KAlSiO 4 , hexagonal, a 18.1111(8), c 8.4619(4) Å, V 2403.7(2) Å 3 , c:a = 0.4672, space group P6 3 , Z = 24, R = 0.039 (for 3255 observed reflections collected with a four-circle X-ray diffractometer), is a new mineral species from Mount Koashva, Khibina alkaline massif, Kola Peninsula, Russia. It is of pegmatitic origin. Associated minerals are K-feldspar, sodalite, cancrinite, natrolite, pectolite, aegirine, natrite, nacaphite, vitusite, fluorcaphite, belovite, umbite, lemmleinite-K, lomonosovite, lovozerite, phlogopite, sphalerite, and galena. The mineral was found in only one hand specimen of pegmatite rock as a corroded, irregularly shaped grain 2 ϫ 3 mm across, intergrown with cancrinite, sodalite, and natrite. It is transparent, colorless with a white streak, a vitreous luster, and fluoresces pale whitish green under ultraviolet light. Megakalsilite has a Mohs hardness of 6, is brittle with a conchoidal fracture, and has no cleavage. D meas is 2.58 (2)
The crystal structure of malinkoite, NaBSiO 4 , a 13.8964(4) Å, c 7.7001(2) Å, P6 3 , Z = 18, D x = 2.922 g cm -3 , from the Khibina-Lovozero complex, Kola peninsula, Russia, has been solved by direct methods and refined to an R index of 3.8% using 2094 unique observed (|F o | > 4F) reflections collected with a single-crystal diffractometer fitted with a CCD detector and MoK␣ X-radiation. Malinkoite is a framework borosilicate with a structure consisting of six-membered rings of regularly alternating (SiO 4 ) and (BO 4 ) tetrahedra, and Na located in the large channels extending along [001]. There are three unique Si sites, each occupied by Si and each coordinated by four O atoms in a tetrahedral arrangement, with
Nafertisite, (Na,K)3(Fe 2 + ,Fe 3 + , D)IO[Tiz(Si,Fe 3 + ,AI)12037](OH,O)6, is an alkali ne titanosilicate from the Khibina massif (Kola Peninsula, Russia). It is monoclinic A2/m with a = 5.353(4), b = 16.176(12), C = 21.95(2) A, ß = 94.6(2r, Z = 2. The comparison with bafertisite, Ba2(Fe,MnMTi2Si4017](OH,Oh, and astrophyllite, (K,Na)3(Fe,Mn)7 [TizSiR027](OH,O)4, allowed to obtain a structural model for nafertisite which has been tested against X-ray diffraction data obtained from a very poor crystal. On the basis of a bafertisite-like B module (A' o h(M D)4 [X2T4017](OHh and a mica-like M module (A, D)(MDh[T401O](OH)2, a polysomatic series BMn can be defined where bafertisite, astrophyllite, nafertisite and mica are the members with n = 0, 1, 2, 00, respectively. It is called heterophyllosilicate series because the crystal structures of the members consist of 2: 1 HOH layers where 0 is an octahedral sheet and H is a tetrahedral-like sheet which differs from the T sheet of the phyllosilicates for the insertion of Ti octahedra; these play a role similar to that of Si tetrahedra. A group of titanosilicates is shown to be derivatives of the bafertisite structure with different interlayer contents.
The present report contains recommendations on the nomenclature of the labuntsovite-group (LG) minerals based on a crystal-structural classification. The labuntsovite group includes hydrous titanium and niobium silicates, both orthorhombic and monoclinic, with a structure characterized by a framework consisting of chains of (Ti,Nb)O-octahedra, linked by four-member rings of Si,O-tetrahedra. This framework contains open cavities occupied by H 2 O molecules and extra-framework cations. Seven subgroups are distinguished, each corresponding to different structure types. In accordance with the nomenclature recommendations, LG minerals have different root names if they belong to different subgroups, or are characterized by different prevailing cations in the (Ti,Nb)-position. The species with doubled unit cell are distinguished by the prefix "para". In the case of structurally ordered members (space groups C2/m, I2/m), separate species within each subgroup are recognized by different root names (to distinguish the members with Ti 8 Nb or Ti ‹ Nb) and by a modifier (-K,-Mn,-Mg etc., to distinguish the members with differently occupied "key" positions). Unlike zeolites, a complex substitution of extra-framework cations is possible in monoclinic LG minerals: 2C → D(H 2 O) 2 where C = K, Ba; D = Fe, Mg, Mn or Zn. Only one of these coupled sites (C or D) can be more than 50 % occupied, whereas the other is more than 50 % vacant and is not considered as the "key" (species-forming) position. In the case of structurally disordered members (vuoriyarvite series) with space group Cm and a large number of extra-framework positions, separate species are recognized in which different extra-framework cations (K, Na, Ca, Sr, Ba) are the most abundant in atomic proportions.
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