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Structure determination of (3D) P/sub 2/NbS/sub 8/

Journal Article · · Mater. Res. Bull.; (United States)
Tridimensional P/sub 2/NbS/sub 8/ crystallizes in P4n2 tetragonal space group, with a = 12.0483(4) A /SUP sf/ , c = 7.2070(5) A /SUP sf/ , V = 1046.2(1) A/sup 3/ and z = 4. The structure was anisotropically refined down to R = 2.3% from 4/sup 08/ reflexions and 53 variables. It is built from (Nb/sub 2/S/sub 12/) biprismatic bicapped units (average d /SUB Nb-S/ = 2.571 A /SUP sf/ ) made of S-II and S/sub 2//sup -11/ anion (dianionic distance of 2.014(3) A /SUP sf/ ). The niobium atoms are found as isolated Nb /SUP IV/ - Nb /SUP IV/ pairs (d /SUB Nb-Nb/ = 2.859(1) A /SUP sf/ ) in these niobium group otherwise linked to each other through (PS/sub 4/) tetrahedral units (average d /SUB p-S/ = 2.051 A /SUP sf/ ) themselves constituting interbonded (P/sub 4/S/sub 12/) rings. The P/sub 2/NbS/sub 8/ three-dimensional network thus obtained is compared to the (2D) P/sub 2/NbS/sub 8/, layered phase already described.
Research Organization:
Laboratoire de Physicochimie des Solides, Nantes
OSTI ID:
6316745
Journal Information:
Mater. Res. Bull.; (United States), Journal Name: Mater. Res. Bull.; (United States) Vol. 19:1; ISSN MRBUA
Country of Publication:
United States
Language:
English