Crystal Lab › Prototype structures › Orthorhombic
Variscite 10 [AlPO₄cdot(H₂O)₂]
Orthorhombic · space group Pbca (No. 61) · Pearson oP96 · mineral: variscite 10
Symmetry elements and Wyckoff positions (interactive)
Variscite 10 [AlPO₄cdot(H₂O)₂] in Pbca
SettingUnit cell
- Lattice constants
- a = 9.822 Å, b = 8.561 Å, c = 9.630 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 809.7 ų
- Atoms in the conventional cell
- 96 (Al 8, H 32, O 48, P 8)
- Formula units Z
- 8
- Pearson symbol
- oP96 — orthorhombic, primitive lattice, 96 atoms per conventional cell
- Symmetry operations
- 8 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Al1 | Al | 8c | 8 | 0.1339 | 0.1550 | 0.1684 |
| H2 | H | 8c | 8 | 0.0630 | 0.3100 | 0.9720 |
| H3 | H | 8c | 8 | 0.9880 | 0.3710 | 0.0680 |
| H4 | H | 8c | 8 | 0.3620 | 0.2010 | 0.1680 |
| H5 | H | 8c | 8 | 0.3140 | 0.3340 | 0.0850 |
| O6 | O | 8c | 8 | 0.1118 | 0.2987 | 0.3152 |
| O7 | O | 8c | 8 | 0.0403 | 0.5819 | 0.2945 |
| O8 | O | 8c | 8 | 0.2854 | 0.5125 | 0.2901 |
| O9 | O | 8c | 8 | 0.1500 | 0.4792 | 0.5122 |
| O10 | O | 8c | 8 | 0.0604 | 0.3256 | 0.0546 |
| O11 | O | 8c | 8 | 0.3073 | 0.2360 | 0.1150 |
| P12 | P | 8c | 8 | 0.1478 | 0.4684 | 0.3528 |
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 96 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
AB4C6D_oP96_61_c_4c_6c_c-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oP96, then the space-group number 61, then the Wyckoff letters occupied by each element in turn (Al: 8c; H: 8c; H: 8c; H: 8c; H: 8c; O: 8c; O: 8c; O: 8c; O: 8c; O: 8c; O: 8c; P: 8c). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
AlAs₄cdot(H₂O)₂ (mansfieldite), CdSeO₄cdot(H₂O)₂, CrSeO₄cdot(H₂O)₂, FeAs₄cdot(H₂O)₂ (scorodite), FeP₄cdot(H₂O)₂ (strengite), GaAsO₄cdot(H₂O)₂, GaPO₄cdot(H₂O)₂, InAsO₄cdot(H₂O)₂ (yanomamite), InPO₄cdot(H₂O)₂, MnSeO₄cdot(H₂O)₂, TlAsO₄cdot(H₂O)₂, TlPO₄cdot(H₂O)₂, ZnSeO₄cdot(H₂O)₂ <!--beginning with an
Note: Variscite.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB4C6D_oP96_61_c_4c_6c_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.
← O-Carbamoylhydroxylamine (CH₄N₂O₂) · Space group Pbca (27 prototypes) · All prototypes · Calcined AlPO₄-53(B) →