Crystal Lab › Prototype structures › Tetragonal
Cr₅B₃ (D8_{l})
Tetragonal · space group I4/mcm (No. 140) · Pearson tI32 · Strukturbericht D8l
Symmetry elements and Wyckoff positions (interactive)
Cr₅B₃ (D8_{l}) in I4/mcm
SettingUnit cell
- Lattice constants
- a = 5.460 Å, b = 5.460 Å, c = 10.640 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 317.2 ų
- Atoms in the conventional cell
- 32 (B 12, Cr 20)
- Formula units Z
- 4
- Pearson symbol
- tI32 — tetragonal, body-centred lattice, 32 atoms per conventional cell
- Symmetry operations
- 32 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| B1 | B | 4a | 4 | 0.0000 | 0.0000 | 0.2500 |
| Cr3 | Cr | 4c | 4 | 0.0000 | 0.0000 | 0.0000 |
| B2 | B | 8h | 8 | 0.6250 | 0.1250 | 0.0000 |
| Cr4 | Cr | 16l | 16 | 0.1660 | 0.6660 | 0.1500 |
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 32 atoms drawn above are these sites multiplied by all 32 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
A3B5_tI32_140_ah_cl-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tI32, then the space-group number 140, then the Wyckoff letters occupied by each element in turn (B: 4a; Cr: 4c; B: 8h; Cr: 16l). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Ca₅Si₃, Eu₅Ge₃, EuIrGe₂, Fe₅PB₂, Fe₅SiB₂, Fe₄CoPB₂, Fe₄CoSiB₂, Fe₄MnPB₂, Fe₄MnSiB₂, Gd₅CoSi₂, Mo₅SiB₂, Nb₅Si₃, Pr₅Si₃, Sr₅In₃, Sr₅Si₃, Sr₅Sn₃, Ta₅Ge₃, Ta₅Si₃ <!--beginning with an
Note: D8_{l}.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A3B5_tI32_140_ah_cl-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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