The crystal structure of Sb 2 Se 3 has been redetermined with 610 independent reflections, using three-dimensional intensities measured on a computer-controlled Philips PW 1100 single-crystal diffractometer. The structure does not deviate in principle from that proposed by Dönges (1950) and Tideswell, Kruse, Mc Cullough (1957), but it shows interesting details. The cell constants, obtained by least-squares calculation from direct Θ-value measurements on the diffractometer, are: α = 11.7938(9), b = 3.9858(6), c = 11.6478(7) Ä, Ζ = 4; the space group is Pnma. The positional and thermal parameters, with anisotropic temperature factors, were refined by full-matrix, least-squares calculations to a final R = 0.052. Sb 2 Se 3 is isostructural with Sb 2
The crystal structure of SbTel has been determined with 538 independent reflections using three-dimensional intensities measured on a computer-controlled Philips PW 1100 single-crystal diffractometer. The cell constants, obtained by least-squares calculation from direct 9-value measurements on the diffractometer, are: α = 13.7008 (10), b = 4.2418(3), c = 9.2005(8) Â, β = 128.631(4) °,Z = 4; space group C2/m. The positional and thermal parameters with anisotropic temperature factors, were refined by full-matrix, least-squares calculations to a final R = 0.031.Each Sb atom is seven-coordinated by three Te atoms at distances 2.831 to 2.961 Â and four I atoms at distances 3.230 to 3.827 Â. The four I atoms form a parallelogram with two opposite sides parallel to b, while the three Te atoms form an isosceles triangle perpendicular to (010), with its base parallel to b. The four I atoms and two of the Te atoms are at the vertices of a triangular prism parallel to b and of height equal to b. The third Te atom is at the apex of a pyramid whose base is one of the Te 2
The crystal structure of BiTeI has been redetermined with 1924 independent reflections, using three-dimensional intensities measured on a computer controlled Philips PW 1100 single crystal diffractometer. The structure belongs to the rhombohedral space groupThe positional and thermal parameters, with anisotropic temperature factors, were refined by full-matrix least-squares calculations to a finalEach Bi atom is six-coordinated by three Te and three I atoms at distances 3.88(5) Å and 3.05(2) Å respectively thus forming a distorted octahedron. The faces of the octahedron are two equilateral triangles (Te-Te-Te, I-I-I) with sides 4.336 Å and six isosceles triangles (three I-Te-I and three Te-I-Te) with sides I–Te 3.29(3) Å and I–I or Te–Te 4.336 Å.The octahedra are linked to each other by a common Te–I edge along the
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