Crystal Lab › Prototype structures › Tetragonal
Sr₄Ti₃O₁₀
Tetragonal · space group I4/mmm (No. 139) · Pearson tI34
Symmetry elements and Wyckoff positions (interactive)
Sr₄Ti₃O₁₀ in I4/mmm
SettingUnit cell
- Lattice constants
- a = 3.900 Å, b = 3.900 Å, c = 28.100 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 427.4 ų
- Atoms in the conventional cell
- 34 (Ti 6, O 20, Sr 8)
- Formula units Z
- 2
- Pearson symbol
- tI34 — tetragonal, body-centred lattice, 34 atoms per conventional cell
- Symmetry operations
- 32 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Ti7 | Ti | 2a | 2 | 0.0000 | 0.0000 | 0.0000 |
| O1 | O | 4c | 4 | 0.0000 | 0.5000 | 0.0000 |
| O2 | O | 4e | 4 | 0.0000 | 0.0000 | 0.0680 |
| O3 | O | 4e | 4 | 0.0000 | 0.0000 | 0.2040 |
| Sr5 | Sr | 4e | 4 | 0.0000 | 0.0000 | 0.4320 |
| Sr6 | Sr | 4e | 4 | 0.0000 | 0.0000 | 0.2960 |
| Ti8 | Ti | 4e | 4 | 0.0000 | 0.0000 | 0.1360 |
| O4 | O | 8g | 8 | 0.0000 | 0.5000 | 0.1360 |
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 34 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
A10B4C3_tI34_139_c2eg_2e_ae-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tI34, then the space-group number 139, then the Wyckoff letters occupied by each element in turn (Ti: 2a; O: 4c; O: 4e; O: 4e; Sr: 4e; Sr: 4e; Ti: 4e; O: 8g). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
La₄Ni₃O₁₀, Sr₄V₃O₁₀, K₂La₂Ti₃O₁₀, Li₂Eu₂Ti₃O₁₀, Na₂Eu₂Ti₃O₁₀, Na₂Sr₂Nb₂MnO₁₀ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A10B4C3_tI34_139_c2eg_2e_ae-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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