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Ni2.87SnTe2, hexagonal, P63/mmc (no. 194), a = 3.9965(4) Å, c = 15.820(2) Å, V = 218.8 Å, Z = 2, Rgt(F) = 0.032, wRref(F) = 0.072, T = 293 K. Source of material Ni2.87SnTe2was prepared in a solid-state reaction starting from an intimatemixture of the pure elements in themolar ratio 3:1:2.Together with a small quantity of iodine as transport agent the educt was filled into a dry quartz glass ampule (l = 20 cm,. = 1.8 cm), evacuated and sealed. The ampule was placed in the center of a tube furnace at 1073K for 10 days. The product consists of black hexagonally shaped crystals and forms preferably at the cold end of the ampule at an estimated temperature of 873 K. Ni2.87SnTe2 can be handled in air. Discussion The title compound is a solid with a pronounced macroscopic layer character which is originated from its crystal structure. The structure of Ni2.87SnTe2 is closely related to Fe3GeTe2 and Ni3GeTe2 [1] and thus characterized by a three layer Ni3Sn substructure which consists of a central mixed Sn-Ni layer (Sn,Ni2) and two enveloping layers containing Ni atoms exclusively (Ni1). TheNi3Sn substructure is sandwiched by two layers of Te atoms with the latter ones basically separated by a van derWaals gap. Additional Ni atoms (Ni3), however, are located in the van derWaals gap. The amount of Ni3 (Fe) atoms filling the gap increases in the sequence (Fe3GeTe2 (occ. Fe = 0.17), Ni3GeTe2 (occ. Ni3 = 0.25), Ni2.87SnTe2 (occ. Ni3 = 0.657(8)). Moreover the just mentioned increase of filling the van derWaals gap with Ni (Fe) atoms corresponds to a decrease of the occupancy of Ni2 (Fe2) as constituent of the mixed Sn-Ni (Ge-Ni, Ge-Fe) layer: Fe3GeTe2 (occ. Fe2 = 0.83), Ni3GeTe2 (occ. Ni2 = 0.70), Ni2.87SnTe2 (occ. Ni2 = 0.264(8)). The higher occupancy of Ni atoms in the van derWaals gap apparently results in a significant shortening of the c axis for Ni2.87SnTe2 (c/a = 3.96) in comparison toNi3GeTe2 (c/a= 4.10) although the atomic radius ofSn®= 1.41 Å) is bigger than the one of Ge ® = 1.23 Å). Z. Kristallogr. NCS 222 (2007) 169-170 / DOI 10.1524/ncrs.2007.0070 169 © by OldenbourgWissenschaftsverlag,München Te 4f ,3 ,3 0.58727(3) 0.0076(4) U11 0.0117(5) 1⁄2U11 0 0 Sn 2d 1.007(4) ,3 ,3 ,4 0.0224(5) U11 0.0120(6) 1⁄2U11 0 0 Ni(1) 4e 0.973(5) 0 0 0.66501(5) 0.0104(6) U11 0.0104(7) 1⁄2U11 0 0 Ni(2) 2c 0.264(8) ,3 ,3 ,4 0.005(2) U11 0.010(2) 1⁄2U11 0 0 Ni(3) 2a 0.657(8) 0 0 ,2 0.015(1) U11 0.009(1) 1⁄2U11 0 0 Table 2. Atomic coordinates and displacement parameters (in Å). Atom Site Occ. x y z U11 U22 U33 U12 U13 U23 Crystal: black plate, size 0.04 × 0.35 × 0.50 mm Wavelength: Mo K2 radiation (0.71073 Å) &: 312.03 cm−1 Diffractometer, scan mode: Stoe IPDS I, $ 2'max: 63° N(hkl)measured, N(hkl)unique: 2581, 175 Criterion for Iobs, N(hkl)gt: Iobs > 2 ((Iobs), 148 N(param)refined: 18 Programs: SHELXS-97 [2], SHELXL-97 [3], DIAMOND [4] Table 1. Data collection and handling.

Crystal structure of trinickel tin ditelluride, Ni 3–x SnTe 2 (x = 0.13)