Crystal Lab › Prototype structures › Hexagonal
HfFe₆Ge₆
Hexagonal · space group P6/mmm (No. 191) · Pearson hP13
Symmetry elements and Wyckoff positions (interactive)
HfFe₆Ge₆ in P6/mmm
SettingUnit cell
- Lattice constants
- a = 5.045 Å, b = 5.045 Å, c = 8.032 Å; α = 90.00°, β = 90.00°, γ = 120.00°
- Cell volume
- 177.0 ų
- Atoms in the conventional cell
- 13 (Hf 1, Ge 6, Fe 6)
- Formula units Z
- 1
- Pearson symbol
- hP13 — hexagonal / trigonal, primitive lattice, 13 atoms per conventional cell
- Symmetry operations
- 24 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Hf5 | Hf | 1a | 1 | 0.0000 | 0.0000 | 0.0000 |
| Ge2 | Ge | 2c | 2 | 0.3333 | 0.6667 | 0.0000 |
| Ge3 | Ge | 2d | 2 | 0.3333 | 0.6667 | 0.5000 |
| Ge4 | Ge | 2e | 2 | 0.0000 | 0.0000 | 0.3470 |
| Fe1 | Fe | 6i | 6 | 0.5000 | 0.0000 | 0.2480 |
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 13 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
A6B6C_hP13_191_i_cde_a-002: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP13, then the space-group number 191, then the Wyckoff letters occupied by each element in turn (Hf: 1a; Ge: 2c; Ge: 2d; Ge: 2e; Fe: 6i). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
DyCr₆Ge₆, DyCo₆Ge₆, DyFe₆Ge₆, DyMn₆Ge₆, DyV₆Sn₆, ErCo₆Ge₆, ErCr₆Ge₆, ErFe₆Ge₆, ErMn₆Ge₆, ErV₆Sn₆, GdCo₆Ge₆, GdCr₆Ge₆, GdFe₆Ge₆, GdMn₆Ge₆, GdV₆Sn₆, HfCo₆Ge₆, HfFe₆Ge₆, HfMn₆Ge₆, HfMn₆Sn₆, HoCo₆Ge₆, HoCr₆Ge₆, HoFe₆Ge₆, HoMn₆Ge₆, HoMn₆Sn₆, HoV₆Sn₆, LiCo₆Ge₆, LuCo₆Ge₆, LuFe₆Ge₆, LuFe₆Sn₆, LuMn₆Ge₆, LuV₆Sn₆, MgCo₆Ge₆, MgNi₆Ge₆, MgNi₆Si₆, MgFe₆Ge₆, NbFe₆Ge₆, NdMn₆Ge₆, ScCo₆Ge₆, ScCr₆Ge₆, ScFe₆Ge₆, ScMn₆Ge₆, ScMn₆Sn₆, SmMn₆Ge₆, TbCo₆Ge₆, TbCr₆Ge₆, TbFe₆Ge₆, TbMn₆Ge₆, TbMn₆Sn₆, TbNb₆Sn₆, TiCo₆Ge₆, TiFe₆Ge₆, TmCo₆Ge₆, TmFe₆Ge₆, TmFe₆Sn₆, TmMn₆Ge₆, TmMn₆Sn₆, TmV₆Sn₆, UCo₆Ge₆, YCr₆Ge₆, YFe₆Ge₆, YMn₆Ge₆,
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A6B6C_hP13_191_i_cde_a-002 (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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