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α-Silicon nitride Si₃N₄

Covalent nitride network · space group P31c (No. 159) · Z = 4

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Symmetry elements and Wyckoff positions (interactive)

α-Silicon nitride in P31c

Setting
Loading 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)

Atomxyz
N0.00000.00000.5000
N0.00000.00000.0000
N0.33330.66670.6351
N0.66670.33330.1351
N0.65330.61090.4592
N0.38910.04240.4592
N0.95760.34670.4592
N0.61090.65330.9592
N0.04240.38910.9592
N0.34670.95760.9592
N0.31690.31980.7288
N0.68020.99710.7288
N0.00290.68310.7288
N0.31980.31690.2288
N0.99710.68020.2288
N0.68310.00290.2288
Si0.08210.50890.6828
Si0.49110.57320.6828
Si0.42680.91790.6828
Si0.50890.08210.1828
Si0.57320.49110.1828
Si0.91790.42680.1828
Si0.25630.17120.4726
Si0.82880.08510.4726
Si0.91490.74370.4726
Si0.17120.25630.9726
Si0.08510.82880.9726
Si0.74370.91490.9726

Z, coordination numbers, distances, density and packing on this page are computed from these coordinates.

Other semiconductors & layered solids

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