Crystal Lab › Prototype structures › Triclinic
α-Ho₂Si₂O₇ Ho₂O₇Si₂
Triclinic · space group P-1 (No. 2) · Pearson aP44
Symmetry elements and Wyckoff positions (interactive)
α-Ho₂Si₂O₇ in P-1
SettingUnit cell
- Lattice constants
- a = 6.612 Å, b = 6.669 Å, c = 12.085 Å; α = 85.81°, β = 89.38°, γ = 88.57°
- Cell volume
- 531.3 ų
- Atoms in the conventional cell
- 44 (Ho 8, O 28, Si 8)
- Formula units Z
- 4
- Pearson symbol
- aP44 — triclinic, primitive lattice, 44 atoms per conventional cell
- Symmetry operations
- 2 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Ho1 | Ho | 2i | 2 | 0.9479 | 0.3310 | 0.1167 |
| Ho2 | Ho | 2i | 2 | 0.8845 | 0.0908 | 0.3592 |
| Ho3 | Ho | 2i | 2 | 0.3705 | 0.7756 | 0.3695 |
| Ho4 | Ho | 2i | 2 | 0.6657 | 0.8280 | 0.1059 |
| O10 | O | 2i | 2 | 0.2240 | 0.0950 | 0.3785 |
| O11 | O | 2i | 2 | 0.2937 | 0.4220 | 0.5099 |
| O12 | O | 2i | 2 | 0.2862 | 0.2179 | 0.6870 |
| O13 | O | 2i | 2 | 0.9626 | 0.2281 | 0.5714 |
| O14 | O | 2i | 2 | 0.0752 | 0.5789 | 0.6864 |
| O15 | O | 2i | 2 | 0.2414 | 0.9141 | 0.9990 |
| O16 | O | 2i | 2 | 0.3397 | 0.7841 | 0.1903 |
| O17 | O | 2i | 2 | 0.9959 | 0.6708 | 0.0797 |
| O18 | O | 2i | 2 | 0.0023 | 0.0137 | 0.1857 |
| O5 | O | 2i | 2 | 0.6408 | 0.4893 | 0.1258 |
| O6 | O | 2i | 2 | 0.6226 | 0.1401 | 0.2096 |
| O7 | O | 2i | 2 | 0.2968 | 0.2956 | 0.0948 |
| O8 | O | 2i | 2 | 0.4002 | 0.4255 | 0.3040 |
| O9 | O | 2i | 2 | 0.5879 | 0.1717 | 0.4454 |
| Si19 | Si | 2i | 2 | 0.1539 | 0.8505 | 0.1168 |
| Si20 | Si | 2i | 2 | 0.4862 | 0.3353 | 0.1761 |
| Si21 | Si | 2i | 2 | 0.3781 | 0.2726 | 0.4051 |
| Si22 | Si | 2i | 2 | 0.1457 | 0.3719 | 0.6179 |
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 44 atoms drawn above are these sites multiplied by all 2 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
A2B7C2_aP44_2_4i_14i_4i-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol aP44, then the space-group number 2, then the Wyckoff letters occupied by each element in turn (Ho: 2i; Ho: 2i; Ho: 2i; Ho: 2i; O: 2i; O: 2i; O: 2i; O: 2i; O: 2i; O: 2i; O: 2i; O: 2i; O: 2i; O: 2i; O: 2i; O: 2i; O: 2i; O: 2i; Si: 2i; Si: 2i; Si: 2i; Si: 2i). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Note: α-Ho₂Si₂O₇.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B7C2_aP44_2_4i_14i_4i-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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