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Crystal Lab › Prototype structures › Tetragonal

C₁₉Sc₁₅

Tetragonal · space group P-421c (No. 114) · Pearson tP68

Symmetry elements and Wyckoff positions (interactive)

C₁₉Sc₁₅ in P-421c

Setting
Loading the group…
x = 0.10, y = 0.17, z = 0.08

Unit cell

Lattice constants
a = 7.500 Å, b = 7.500 Å, c = 15.000 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
843.8 ų
Atoms in the conventional cell
68 (C 38, Sc 30)
Formula units Z
2
Pearson symbol
tP68 — tetragonal, primitive lattice, 68 atoms per conventional cell
Symmetry operations
8 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
C1C2a20.00000.00000.0000
Sc7Sc2b20.00000.00000.5000
C2C4c40.00000.00000.6650
Sc8Sc4c40.00000.00000.8198
C3C8e80.71200.11800.4920
C4C8e80.38400.20000.6333
C5C8e80.43600.20800.7120
C6C8e80.80600.37500.6790
Sc10Sc8e80.09820.28230.6593
Sc11Sc8e80.71570.09820.6423
Sc9Sc8e80.40210.19930.4800

The multiplicity and the Wyckoff letter say how many copies of the site the group makes in one cell and on which kind of symmetry element the site sits; the 68 atoms drawn above are these sites multiplied by all 8 operations. Press Wyckoff under Colour to see the sites, and tick a symmetry element on the left to see which atoms lie on it.

How to read the label

A19B15_tP68_114_ac4e_bc3e-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tP68, then the space-group number 114, then the Wyckoff letters occupied by each element in turn (C: 2a; Sc: 2b; C: 4c; Sc: 4c; C: 8e; C: 8e; C: 8e; C: 8e; Sc: 8e; Sc: 8e; Sc: 8e). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

C₁₉Er₁₅, C₁₉Lu₁₅, C₁₉Tm₁₅, C₁₉Y₁₅, C₁₉Yb₁₅ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A19B15_tP68_114_ac4e_bc3e-001 (M. J. Mehl et al., Comput. Mater. Sci. 136, S1 (2017); D. Hicks et al., ibid. 161, S1 (2019) and 199, 110450 (2021); S. Eckert et al., ibid. 240, 112988 (2024)). Symmetry elements, Wyckoff assignment and the diagram are computed on this page from the group operations.

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