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Crystal Lab › Prototype structures › Orthorhombic

Mg(ClO₄)₂cdot6H₂O (H4₁₁)

Orthorhombic · space group Pmn21 (No. 31) · Pearson oP34 · Strukturbericht H411

Symmetry elements and Wyckoff positions (interactive)

Mg(ClO₄)₂cdot6H₂O (H4₁₁) in Pmn21

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

Unit cell

Lattice constants
a = 7.760 Å, b = 13.460 Å, c = 5.260 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
549.4 ų
Atoms in the conventional cell
34 (Ca 4, H 12, Mg 2, O 16)
Formula units Z
2
Pearson symbol
oP34 — orthorhombic, primitive lattice, 34 atoms per conventional cell
Symmetry operations
4 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Ca1Ca2a20.00000.91670.5000
Ca2Ca2a20.00000.58330.0000
H3H2a20.00000.12500.0000
H4H2a20.00000.37500.5000
Mg7Mg2a20.00000.25000.7500
O10O2a20.00000.81110.4083
O11O2a20.00000.68890.9083
O8O2a20.00000.91670.7778
O9O2a20.00000.58330.2778
H5H4b40.81250.18750.5000
H6H4b40.81250.31250.0000
O12O4b40.84170.96940.4083
O13O4b40.84170.53060.9083

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 34 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

A2B6CD8_oP34_31_2a_2a2b_a_4a2b-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oP34, then the space-group number 31, then the Wyckoff letters occupied by each element in turn (Ca: 2a; Ca: 2a; H: 2a; H: 2a; Mg: 2a; O: 2a; O: 2a; O: 2a; O: 2a; H: 4b; H: 4b; O: 4b; O: 4b). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Co(ClO₄)₂cdot6H₂O, Fe(ClO₄)₂cdot6H₂O, Mn(ClO₄)₂cdot6H₂O, Ni(ClO₄)₂cdot6H₂O, Zn(ClO₄)₂cdot6H₂O, Mg(BF₄)₂cdot6H₂O, Co(BF₄)₂cdot6H₂O, Fe(BF₄)₂cdot6H₂O, Mn(BF₄)₂cdot6H₂O, Ni(BF₄)₂cdot6H₂O, Zn(BF₄)₂cdot6H₂O <!--beginning with an

Note: H4₁₁.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B6CD8_oP34_31_2a_2a2b_a_4a2b-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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