The crystal structure of kuliokite-(Y), Y
4Al(SiO
4)
2(OH)
2F
5, has been re-investigated using the material from the type locality the Ploskaya Mt, Kola peninsula, Russian Arctic. It has been shown that in contrast to previous studies,
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The crystal structure of kuliokite-(Y), Y
4Al(SiO
4)
2(OH)
2F
5, has been re-investigated using the material from the type locality the Ploskaya Mt, Kola peninsula, Russian Arctic. It has been shown that in contrast to previous studies, the mineral is monoclinic,
Im, with
a = 4.3213(1),
b = 14.8123(6),
c = 8.6857(3) Å,
β = 102.872(4)°, and
V = 541.99(3) Å
3. The crystal structure was solved and refined to
R1 = 0.030 on the basis of 3202 unique observed reflections. The average chemical composition determined by electron microprobe analysis is (Y
2.96Yb
0.49Er
0.27Dy
0.13Tm
0.07Lu
0.05Ho
0.05Gd
0.01Ca
0.01)
Σ4.04Al
0.92Si
2.04O
8-[(OH)
2.61F
4.42]
Σ7.03; the idealized formula is (Y,Yb,Er)
4Al[SiO
4]
2(OH)
2.5F
4.5. The crystal structure of kuliokite-(Y) contains two symmetrically independent Y sites, Y1 and Y2, coordinated by eight and seven
X anions, respectively (
X = O, F). The coordination polyhedra can be described as a distorted square antiprism and a distorted pentagonal bipyramid, respectively. The refinement of site occupancies indicated that the mineral represents a rare case of HREE fractionation among two cation sites driven by their coordination numbers and geometry. In agreement with the lanthanide contraction, HREEs are selectively incorporated into the Y2 site with a smaller coordination number and tighter coordination environment. The strongest building unit of the structure is the [Al
X2(SiO
4)
2] chain of corner-sharing Al
X6 octahedra and SiO
4 tetrahedra running along the
a axis. The chains have their planes oriented parallel to (001). The Y atoms are located in between the chains, along with the F
− and (OH)
− anions, providing the three-dimensional integrity of the crystal structure. Each F
− anion is coordinated by three Y
3+ cations to form planar (FY
3)
8+ triangles parallel to the (010) plane. The triangles share common edges to form [F
2Y
2]
4+ chains parallel to the
a axis. The analysis of second-neighbor coordination of Y sites allowed us to identify the structural topology of kuliokite-(Y) as the only case of the
skd network in inorganic compounds, previously known in molecular structures only. The variety of anionic content in the mineral allows us to identify the potential existence of two other mineral species that can tentatively be named ‘fluorokuliokite-(Y)’ and ‘hydroxykuliokite-(Y)’.
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