Crystal Lab › Semiconductors & layered solids
α-Silicon nitride Si₃N₄
Covalent nitride network · space group P31c (No. 159) · Z = 4
Symmetry elements and Wyckoff positions (interactive)
α-Silicon nitride in P31c
SettingLoading the group…
x = 0.10, y = 0.17, z = 0.08
Unit cell
- Lattice constants
- a = 7.752 Å, b = 7.752 Å, c = 5.620 Å; α = 90°, β = 90°, γ = 120°
- Cell volume
- 292.5 ų
- Atoms in the cell
- 28 (N 16, Si 12)
- Formula units Z
- 4
- Calculated density
- 1.27 g cm⁻³
- Shortest contact
- 1.685 Å
Coordination
- N
- CN 3 at 1.76 Å (3 Si)
- Si
- CN 4 at 1.70 Å (4 N)
About the structure
- Corner-sharing SiN₄ tetrahedra: every N is bonded to three Si in a nearly planar arrangement, every Si to four N, building a rigid three-dimensional network — the nitrogen analogue of a silicate.
- The α and β forms differ in the stacking of their Si–N layers; Si₃N₄ ceramics are used for turbine bearings and cutting tools because the network is strong to 1,500 °C.
- Coordinates from the Crystallography Open Database, entry 1001238 (open data); hydrogen and water sites with partial occupancy below 0.5 are left out.
Atom positions (fractional, one cell)
| Atom | x | y | z |
|---|---|---|---|
| N | 0.0000 | 0.0000 | 0.5000 |
| N | 0.0000 | 0.0000 | 0.0000 |
| N | 0.3333 | 0.6667 | 0.6351 |
| N | 0.6667 | 0.3333 | 0.1351 |
| N | 0.6533 | 0.6109 | 0.4592 |
| N | 0.3891 | 0.0424 | 0.4592 |
| N | 0.9576 | 0.3467 | 0.4592 |
| N | 0.6109 | 0.6533 | 0.9592 |
| N | 0.0424 | 0.3891 | 0.9592 |
| N | 0.3467 | 0.9576 | 0.9592 |
| N | 0.3169 | 0.3198 | 0.7288 |
| N | 0.6802 | 0.9971 | 0.7288 |
| N | 0.0029 | 0.6831 | 0.7288 |
| N | 0.3198 | 0.3169 | 0.2288 |
| N | 0.9971 | 0.6802 | 0.2288 |
| N | 0.6831 | 0.0029 | 0.2288 |
| Si | 0.0821 | 0.5089 | 0.6828 |
| Si | 0.4911 | 0.5732 | 0.6828 |
| Si | 0.4268 | 0.9179 | 0.6828 |
| Si | 0.5089 | 0.0821 | 0.1828 |
| Si | 0.5732 | 0.4911 | 0.1828 |
| Si | 0.9179 | 0.4268 | 0.1828 |
| Si | 0.2563 | 0.1712 | 0.4726 |
| Si | 0.8288 | 0.0851 | 0.4726 |
| Si | 0.9149 | 0.7437 | 0.4726 |
| Si | 0.1712 | 0.2563 | 0.9726 |
| Si | 0.0851 | 0.8288 | 0.9726 |
| Si | 0.7437 | 0.9149 | 0.9726 |
Z, coordination numbers, distances, density and packing on this page are computed from these coordinates.
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