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Crystal Lab › Prototype structures › Tetragonal

Rb₃Mn₂Cl₇

Tetragonal · space group I4/mmm (No. 139) · Pearson tI24

Symmetry elements and Wyckoff positions (interactive)

Rb₃Mn₂Cl₇ in I4/mmm

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

Unit cell

Lattice constants
a = 5.089 Å, b = 5.089 Å, c = 26.146 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
677.1 ų
Atoms in the conventional cell
24 (Cl 14, Rb 6, Mn 4)
Formula units Z
2
Pearson symbol
tI24 — tetragonal, body-centred lattice, 24 atoms per conventional cell
Symmetry operations
32 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Cl1Cl2a20.00000.00000.0000
Rb5Rb2b20.00000.00000.5000
Cl2Cl4e40.00000.00000.7950
Mn4Mn4e40.00000.00000.9000
Rb6Rb4e40.00000.00000.6800
Cl3Cl8g80.00000.50000.6000

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 24 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

A7B2C3_tI24_139_aeg_e_be-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tI24, then the space-group number 139, then the Wyckoff letters occupied by each element in turn (Cl: 2a; Rb: 2b; Cl: 4e; Mn: 4e; Rb: 4e; Cl: 8g). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Cs₃Ca₂Cl₇, Cs₃Mg₂Cl₇, K₃Mn₂Cl₇, Rb₃Mn₂Br₇ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A7B2C3_tI24_139_aeg_e_be-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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