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Crystal Lab › Prototype structures › Orthorhombic

RbPaF₆ (V)

Orthorhombic · space group Cmme (No. 67) · Pearson oC32

Symmetry elements and Wyckoff positions (interactive)

RbPaF₆ (V) in Cmme

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

Unit cell

Lattice constants
a = 12.025 Å, b = 8.048 Å, c = 5.861 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
567.2 ų
Atoms in the conventional cell
32 (Pa 4, Rb 4, F 24)
Formula units Z
4
Pearson symbol
oC32 — orthorhombic, base-centred lattice, 32 atoms per conventional cell
Symmetry operations
16 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Pa3Pa4c40.00000.00000.0000
Rb4Rb4g40.00000.25000.4532
F1F8n80.82060.25000.1459
F2F16o160.87040.55590.2476

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 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

A6BC_oC32_67_no_c_g-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oC32, then the space-group number 67, then the Wyckoff letters occupied by each element in turn (Pa: 4c; Rb: 4g; F: 8n; F: 16o). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

SrTbF₆ <!--beginning with an

Note: RbPaF₆ (V).

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A6BC_oC32_67_no_c_g-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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