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Crystal Lab › Prototype structures › Monoclinic

KClO₃ (G0₆)

Monoclinic · space group P121/m1 (No. 11) · Pearson mP10 · Strukturbericht G06

Symmetry elements and Wyckoff positions (interactive)

KClO₃ (G0₆) in P121/m1

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

Unit cell

Lattice constants
a = 4.630 Å, b = 5.568 Å, c = 6.968 Å; α = 90.00°, β = 71.63°, γ = 90.00°
Cell volume
170.5 ų
Atoms in the conventional cell
10 (Cl 2, K 2, O 6)
Formula units Z
2
Pearson symbol
mP10 — monoclinic, primitive lattice, 10 atoms per conventional cell
Symmetry operations
4 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Cl1Cl2e20.05350.25000.8255
K2K2e20.35310.25000.2914
O3O2e20.71560.25000.8835
O4O4f40.16010.46390.6943

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 10 atoms drawn above are these sites multiplied by all 4 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

ABC3_mP10_11_e_e_ef-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mP10, then the space-group number 11, then the Wyckoff letters occupied by each element in turn (Cl: 2e; K: 2e; O: 2e; O: 4f). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

BaSeO₃, BaTeO₃, CeAsO₃, LaAsO₃, PbSO₃, PbSeO₃, RbGeCl₃, SrSeO₃ <!--beginning with an

Note: G0₆.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry ABC3_mP10_11_e_e_ef-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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