Crystal Lab › Prototype structures › Hexagonal
P6₃ La₃BWO₉ BLa₃O₉W
Hexagonal · space group P63 (No. 173) · Pearson hP28
Symmetry elements and Wyckoff positions (interactive)
P6₃ La₃BWO₉ in P63
SettingUnit cell
- Lattice constants
- a = 8.843 Å, b = 8.843 Å, c = 5.575 Å; α = 90.00°, β = 90.00°, γ = 120.00°
- Cell volume
- 377.6 ų
- Atoms in the conventional cell
- 28 (B 2, W 2, La 6, O 18)
- Formula units Z
- 2
- Pearson symbol
- hP28 — hexagonal / trigonal, primitive lattice, 28 atoms per conventional cell
- Symmetry operations
- 6 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| B1 | B | 2a | 2 | 0.0000 | 0.0000 | 0.3580 |
| W6 | W | 2b | 2 | 0.3333 | 0.6667 | 0.2500 |
| La2 | La | 6c | 6 | 0.3636 | 0.0854 | 0.2213 |
| O3 | O | 6c | 6 | 0.1700 | 0.0470 | 0.8610 |
| O4 | O | 6c | 6 | 0.1920 | 0.4830 | 0.0440 |
| O5 | O | 6c | 6 | 0.1420 | 0.5170 | 0.4680 |
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 28 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
AB3C9D_hP28_173_a_c_3c_b-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP28, then the space-group number 173, then the Wyckoff letters occupied by each element in turn (B: 2a; W: 2b; La: 6c; O: 6c; O: 6c; O: 6c). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
La₃BWO₉, Ce₃BWO₉, Nd₃BWO₉, Pr₃BWO₉, Sm₃BWO₉, Gd₃BWO₉, Tb₃BWO₉, Dy₃BWO₉, Ho₃BWO₉ <!--beginning with an
Note: Hexagonal.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB3C9D_hP28_173_a_c_3c_b-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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