Crystal Lab › Prototype structures › Monoclinic
Monoclinic (Cc) Low Tridymite (SiO₂)
Monoclinic · space group C1c1 (No. 9) · Pearson mC144
Symmetry elements and Wyckoff positions (interactive)
Monoclinic (Cc) Low Tridymite (SiO₂) in C1c1
SettingUnit cell
- Lattice constants
- a = 18.524 Å, b = 5.003 Å, c = 33.919 Å; α = 90.00°, β = 137.52°, γ = 90.00°
- Cell volume
- 2123.1 ų
- Atoms in the conventional cell
- 144 (O 96, Si 48)
- Formula units Z
- 48
- Pearson symbol
- mC144 — monoclinic, base-centred lattice, 144 atoms per conventional cell
- Symmetry operations
- 4 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| O1 | O | 4a | 4 | 0.6069 | 0.1010 | 0.1818 |
| O2 | O | 4a | 4 | 0.5817 | 0.5900 | 0.1524 |
| O3 | O | 4a | 4 | 0.7834 | 0.8880 | 0.5149 |
| O4 | O | 4a | 4 | 0.7339 | 0.3940 | 0.4848 |
| O5 | O | 4a | 4 | 0.9104 | 0.1020 | 0.3259 |
| O6 | O | 4a | 4 | 0.9439 | 0.6020 | 0.3566 |
| O7 | O | 4a | 4 | 0.2014 | 0.9140 | 0.0787 |
| O8 | O | 4a | 4 | 0.1479 | 0.4180 | 0.0639 |
| O9 | O | 4a | 4 | 0.4721 | 0.8950 | 0.2462 |
| O10 | O | 4a | 4 | 0.5262 | 0.3930 | 0.2598 |
| O11 | O | 4a | 4 | 0.7958 | 0.0910 | 0.4153 |
| O12 | O | 4a | 4 | 0.8528 | 0.5930 | 0.4339 |
| O13 | O | 4a | 4 | 0.8972 | 0.2610 | 0.3938 |
| O14 | O | 4a | 4 | 0.0802 | 0.2390 | 0.4335 |
| O15 | O | 4a | 4 | 0.6791 | 0.7550 | 0.3289 |
| O16 | O | 4a | 4 | 0.5671 | 0.7460 | 0.2195 |
| O17 | O | 4a | 4 | 0.4036 | 0.2490 | 0.2672 |
| O18 | O | 4a | 4 | 0.3306 | 0.2530 | 0.1667 |
| O19 | O | 4a | 4 | 0.7550 | 0.7430 | 0.2602 |
| O20 | O | 4a | 4 | 0.4363 | 0.2610 | 0.0732 |
| O21 | O | 4a | 4 | 0.6205 | 0.2420 | 0.1132 |
| O22 | O | 4a | 4 | 0.0000 | 0.2180 | 0.5000 |
| O23 | O | 4a | 4 | 0.6850 | 0.7410 | 0.4102 |
| O24 | O | 4a | 4 | 0.3101 | 0.2710 | 0.0845 |
| Si25 | Si | 4a | 4 | 0.8851 | 0.2910 | 0.4358 |
| Si26 | Si | 4a | 4 | 0.5617 | 0.6970 | 0.2653 |
| Si27 | Si | 4a | 4 | 0.9577 | 0.2990 | 0.3775 |
| Si28 | Si | 4a | 4 | 0.6294 | 0.7930 | 0.2045 |
| Si29 | Si | 4a | 4 | 0.8782 | 0.7980 | 0.3029 |
| Si30 | Si | 4a | 4 | 0.6971 | 0.6940 | 0.4614 |
| Si31 | Si | 4a | 4 | 0.4316 | 0.1990 | 0.2339 |
| Si32 | Si | 4a | 4 | 0.7520 | 0.7910 | 0.3973 |
| Si33 | Si | 4a | 4 | 0.2453 | 0.2130 | 0.0984 |
| Si34 | Si | 4a | 4 | 0.1149 | 0.7160 | 0.0642 |
| Si35 | Si | 4a | 4 | 0.3151 | 0.3090 | 0.0395 |
| Si36 | Si | 4a | 4 | 0.5601 | 0.2990 | 0.1298 |
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 144 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
A2B_mC144_9_24a_12a-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mC144, then the space-group number 9, then the Wyckoff letters occupied by each element in turn (O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; Si: 4a; Si: 4a; Si: 4a; Si: 4a; Si: 4a; Si: 4a; Si: 4a; Si: 4a; Si: 4a; Si: 4a; Si: 4a; Si: 4a). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Note: Low Tridymite.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B_mC144_9_24a_12a-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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