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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

Setting
Loading the group…
x = 0.10, y = 0.17, z = 0.08

Unit 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

SiteElementWyckoffMultiplicityxyz
Ti7Ti2a20.00000.00000.0000
O1O4c40.00000.50000.0000
O2O4e40.00000.00000.0680
O3O4e40.00000.00000.2040
Sr5Sr4e40.00000.00000.4320
Sr6Sr4e40.00000.00000.2960
Ti8Ti4e40.00000.00000.1360
O4O8g80.00000.50000.1360

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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