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Crystal Lab › Prototype structures › Trigonal

K₂RbSc(PO₄)₂

Trigonal · space group P-3m1 (No. 164) · Pearson hP14

Symmetry elements and Wyckoff positions (interactive)

K₂RbSc(PO₄)₂ in P-3m1

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

Unit cell

Lattice constants
a = 5.466 Å, b = 5.466 Å, c = 7.703 Å; α = 90.00°, β = 90.00°, γ = 120.00°
Cell volume
199.3 ų
Atoms in the conventional cell
14 (Rb 1, Sc 1, K 2, O 8, P 2)
Formula units Z
1
Pearson symbol
hP14 — hexagonal / trigonal, primitive lattice, 14 atoms per conventional cell
Symmetry operations
12 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Rb1Rb1a10.00000.00000.0000
Sc2Sc1b10.00000.00000.5000
K3K2d20.33330.66670.2843
O4O2d20.33330.66670.5850
P5P2d20.33330.66670.7770
O6O6i60.18100.36200.8414

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 14 atoms drawn above are these sites multiplied by all 12 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

A2B8C2DE_hP14_164_d_di_d_a_b-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP14, then the space-group number 164, then the Wyckoff letters occupied by each element in turn (Rb: 1a; Sc: 1b; K: 2d; O: 2d; P: 2d; O: 6i). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

K₂CsYb(PO₄)₂, Rb₃Er(PO₄)₂, Rb₃Lu(PO₄)₂, Rb₃Yb(PO₄)₂ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B8C2DE_hP14_164_d_di_d_a_b-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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