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
SettingUnit 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
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| NH2 | N | 2a | 2 | 0.0000 | 0.0000 | 0.0000 |
| Cl1 | Cl | 2b | 2 | 0.5000 | 0.0000 | 0.2500 |
| O3 | O | 4c | 4 | 0.6500 | 0.1500 | 0.5000 |
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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