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Crystal Lab › Prototype structures › Tetragonal

F5₄ (NH₄ClO₂) ( Obsolete )

Tetragonal · space group P4bm (No. 100) · Pearson tP8 · Strukturbericht F54

Symmetry elements and Wyckoff positions (interactive)

F5₄ (NH₄ClO₂) ( Obsolete ) in P4bm

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

Unit cell

Lattice constants
a = 6.300 Å, b = 6.300 Å, c = 3.700 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
146.9 ų
Atoms in the conventional cell
8 (N 2, Cl 2, O 4)
Formula units Z
2
Pearson symbol
tP8 — tetragonal, primitive lattice, 8 atoms per conventional cell
Symmetry operations
8 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
NH2N2a20.00000.00000.0000
Cl1Cl2b20.50000.00000.2500
O3O4c40.65000.15000.5000

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 8 atoms drawn above are these sites multiplied by all 8 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

ABC2_tP8_100_b_a_c-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tP8, then the space-group number 100, then the Wyckoff letters occupied by each element in turn (N: 2a; Cl: 2b; O: 4c). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Note: F5₄, (Obsolete).

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry ABC2_tP8_100_b_a_c-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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