Skip to content

Crystal Lab › Prototype structures › Tetragonal

Pu₃₁Rh₂₀

Tetragonal · space group I4/mcm (No. 140) · Pearson tI204

Symmetry elements and Wyckoff positions (interactive)

Pu₃₁Rh₂₀ in I4/mcm

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

Unit cell

Lattice constants
a = 11.076 Å, b = 11.076 Å, c = 36.933 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
4530.9 ų
Atoms in the conventional cell
204 (Rh 80, Pu 124)
Formula units Z
4
Pearson symbol
tI204 — tetragonal, body-centred lattice, 204 atoms per conventional cell
Symmetry operations
32 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Rh8Rh4a40.00000.00000.2500
Pu1Pu4b40.00000.50000.2500
Rh9Rh4c40.00000.00000.0000
Rh10Rh8f80.00000.00000.0940
Rh11Rh8f80.00000.00000.1734
Pu2Pu8g80.00000.50000.0756
Pu3Pu8g80.00000.50000.1656
Pu4Pu8h80.15860.65860.0000
Rh12Rh8h80.40350.90350.0000
Rh13Rh16l160.18120.68120.0726
Rh14Rh16l160.34170.84170.1269
Rh15Rh16l160.15360.65360.2109
Pu5Pu32m320.29470.42990.0500
Pu6Pu32m320.28550.57740.1346
Pu7Pu32m320.28190.41250.2114

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 204 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

A31B20_tI204_140_b2gh3m_ac2fh3l-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tI204, then the space-group number 140, then the Wyckoff letters occupied by each element in turn (Rh: 4a; Pu: 4b; Rh: 4c; Rh: 8f; Rh: 8f; Pu: 8g; Pu: 8g; Pu: 8h; Rh: 8h; Rh: 16l; Rh: 16l; Rh: 16l; Pu: 32m; Pu: 32m; Pu: 32m). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Pu₃₁Pt₂₀, Ca₃₁Sn₂₀ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A31B20_tI204_140_b2gh3m_ac2fh3l-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.

← Khatyrkite (Al₂Cu, C16)  ·  Space group I4/mcm (18 prototypes)  ·  All prototypes  ·  W₅Si₃ (D8_{m}) →