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Crystal Lab › Prototype structures › Hexagonal

Stützite (Ag_{5-x}Te₃)

Hexagonal · space group P-6 (No. 174) · Pearson hP57 · mineral: st"{u}tzite

Symmetry elements and Wyckoff positions (interactive)

Stützite (Ag_{5-x}Te₃) in P-6

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

Unit cell

Lattice constants
a = 13.454 Å, b = 13.454 Å, c = 8.459 Å; α = 90.00°, β = 90.00°, γ = 120.00°
Cell volume
1326.0 ų
Atoms in the conventional cell
57 (Te 21, Ag 36)
Formula units Z
3
Pearson symbol
hP57 — hexagonal / trigonal, primitive lattice, 57 atoms per conventional cell
Symmetry operations
6 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Te9Te2g20.00000.00000.2765
Te10Te2h20.33330.66670.2757
Te11Te2i20.66670.33330.2925
Ag1Ag3j30.20490.52810.0000
Ag2Ag3j30.01080.13680.0000
Te12Te3j30.96570.45500.0000
Te13Te3j30.84290.21030.0000
Te14Te3j30.23570.33200.0000
Ag3Ag3k30.24090.76800.5000
Ag4Ag3k30.09940.90210.5000
Te15Te3k30.35090.01770.5000
Te16Te3k30.00090.66610.5000
Ag5Ag6l60.22600.87800.2410
Ag6Ag6l60.86340.53060.2512
Ag7Ag6l60.47900.91800.2830
Ag8Ag6l60.24100.14200.2760

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 57 atoms drawn above are these sites multiplied by all 6 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

A12B7_hP57_174_2j2k4l_ghi3j2k-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP57, then the space-group number 174, then the Wyckoff letters occupied by each element in turn (Te: 2g; Te: 2h; Te: 2i; Ag: 3j; Ag: 3j; Te: 3j; Te: 3j; Te: 3j; Ag: 3k; Ag: 3k; Te: 3k; Te: 3k; Ag: 6l; Ag: 6l; Ag: 6l; Ag: 6l). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Note: St\"{u}tzite.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A12B7_hP57_174_2j2k4l_ghi3j2k-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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