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
SettingUnit 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
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Ca1 | Ca | 2a | 2 | 0.0000 | 0.9167 | 0.5000 |
| Ca2 | Ca | 2a | 2 | 0.0000 | 0.5833 | 0.0000 |
| H3 | H | 2a | 2 | 0.0000 | 0.1250 | 0.0000 |
| H4 | H | 2a | 2 | 0.0000 | 0.3750 | 0.5000 |
| Mg7 | Mg | 2a | 2 | 0.0000 | 0.2500 | 0.7500 |
| O10 | O | 2a | 2 | 0.0000 | 0.8111 | 0.4083 |
| O11 | O | 2a | 2 | 0.0000 | 0.6889 | 0.9083 |
| O8 | O | 2a | 2 | 0.0000 | 0.9167 | 0.7778 |
| O9 | O | 2a | 2 | 0.0000 | 0.5833 | 0.2778 |
| H5 | H | 4b | 4 | 0.8125 | 0.1875 | 0.5000 |
| H6 | H | 4b | 4 | 0.8125 | 0.3125 | 0.0000 |
| O12 | O | 4b | 4 | 0.8417 | 0.9694 | 0.4083 |
| O13 | O | 4b | 4 | 0.8417 | 0.5306 | 0.9083 |
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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