Crystal Lab › Prototype structures › Tetragonal
Sr₃SiO₅: A5BC3_tP36_130_cg_b_cf-001 O₅SiSr₃
Tetragonal · space group P4/ncc (No. 130) · Pearson tP36
Symmetry elements and Wyckoff positions (interactive)
Sr₃SiO₅: A5BC3_tP36_130_cg_b_cf-001 in P4/ncc
SettingUnit cell
- Lattice constants
- a = 6.934 Å, b = 6.934 Å, c = 10.720 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 515.4 ų
- Atoms in the conventional cell
- 36 (Si 4, O 20, Sr 12)
- Formula units Z
- 4
- Pearson symbol
- tP36 — tetragonal, primitive lattice, 36 atoms per conventional cell
- Symmetry operations
- 16 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Si1 | Si | 4b | 4 | 0.7500 | 0.2500 | 0.0000 |
| O2 | O | 4c | 4 | 0.2500 | 0.2500 | 0.2500 |
| Sr3 | Sr | 4c | 4 | 0.2500 | 0.2500 | 0.0000 |
| Sr4 | Sr | 8f | 8 | 0.5690 | 0.4310 | 0.2500 |
| O5 | O | 16g | 16 | 0.4190 | 0.6580 | 0.0880 |
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 36 atoms drawn above are these sites multiplied by all 16 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
A5BC3_tP36_130_cg_b_cf-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tP36, then the space-group number 130, then the Wyckoff letters occupied by each element in turn (Si: 4b; O: 4c; Sr: 4c; Sr: 8f; O: 16g). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Cs₃BeF₅, Cs₃MgH₅, K₃BeF₅, Na₃ZnH₅, Rb₃MgH₅ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A5BC3_tP36_130_cg_b_cf-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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