Crystal Lab › Prototype structures › Hexagonal
Mavlyanovite (Mn₅Si₃, D8₈)
Hexagonal · space group P63/mcm (No. 193) · Pearson hP16 · Strukturbericht D88 · mineral: mavlyanovite
Symmetry elements and Wyckoff positions (interactive)
Mavlyanovite (Mn₅Si₃, D8₈) in P63/mcm
SettingUnit cell
- Lattice constants
- a = 6.910 Å, b = 6.910 Å, c = 4.814 Å; α = 90.00°, β = 90.00°, γ = 120.00°
- Cell volume
- 199.1 ų
- Atoms in the conventional cell
- 16 (Mn 10, Si 6)
- Formula units Z
- 2
- Pearson symbol
- hP16 — hexagonal / trigonal, primitive lattice, 16 atoms per conventional cell
- Symmetry operations
- 24 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Mn1 | Mn | 4d | 4 | 0.3333 | 0.6667 | 0.0000 |
| Mn2 | Mn | 6g | 6 | 0.7642 | 0.0000 | 0.2500 |
| Si3 | Si | 6g | 6 | 0.4008 | 0.0000 | 0.2500 |
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 16 atoms drawn above are these sites multiplied by all 24 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
A5B3_hP16_193_dg_g-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP16, then the space-group number 193, then the Wyckoff letters occupied by each element in turn (Mn: 4d; Mn: 6g; Si: 6g). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Ce₅Ge₃, Ce₅Pb₃, Ce₅Sb₃, Dy₅Ge₃, Dy₅Sb₃, Er₅Si₃, Fe₅Si₃ (HT), Gd₅Ge₃, Gd₅Sb₃, Hf₅Ga₃, Hf₅Ge₃, Hf₅Si₃, Hf₅Sn₃, Ho₅Sb₃, Ho₅Sn₃, La₅Ge₃, La₅Pb₃, La₅Sb₃, Lu₅Si₃, Mg₅Hg₃, Mn₅Ge₃, Mn₅Si₃, Mo₅Si₃, Nb₅Ge₃, Nb₅Si₃, Nd₅Sb₃, Nd₅Sn₃, Pr₅Sb₃, Sc₅Ga₃, Sc₅Ge₃, Sc₅Pb₃, Sc₅Si₃, Sc₅Sn₃, Ta₅Si₃, Tb₅Sb₃, Ti₅Ga₃, Ti₅Ge₃, Ti₅P₃, Ti₅Si₃, Ti₅Sn₃, U₅Ge₃, V₅Ga₃, V₅Ge₃, V₅Si₃, W₅Si₃, Y₅Ga₃, Y₅Ge₃, Y₅Pb₃, Y₅Si₃, Y₅Sn₃, Yb₅Sb₃, Zr₅Al₃, Zr₅Ga₃, Zr₅Ge₃, Zr₅Pb₃, Zr₅Pt₃, Zr₅Sb₃, Zr₅Si₃, Zr₅Sn₃, Cr_{5-x-y}Fe_{x}Nb_{y}Si₃, Mn_{5-x}Fe_{x}Si₃, Ti₅Ga_{1.5}Ge_{1.5} <!--beginning with an
Note: D8₈, Mavlyanovite.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A5B3_hP16_193_dg_g-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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