Crystal Lab › Silicates & minerals

YAG (yttrium aluminium garnet) Y₃Al₅O₁₂

Garnet · space group Ia-₃d (No. 230) · Z = 8

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Symmetry elements and Wyckoff positions (interactive)

YAG (yttrium aluminium garnet) in Ia-3d

Setting

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Model atom x

x = 0.10, y = 0.17, z = 0.08

Unit cell

Lattice constants: a = 12.010 Å, b = 12.010 Å, c = 12.010 Å; α = 90°, β = 90°, γ = 90°
Cell volume: 1732.3 Å³
Atoms in the cell: 160 (O 96, Y 24, Al 40)
Formula units Z: 8
Calculated density: 4.55 g cm⁻³
Shortest contact: 1.795 Å

Coordination

O: CN 2 at 1.80 Å (2 Al)
Y: CN 8 at 2.40 Å (8 O)
Al: CN 5 at 1.80 Å (4.8 O)

About the structure

The garnet structure: Al in both tetrahedral (24d) and octahedral (16a) sites, Y³⁺ in 8-coordinate dodecahedral (24c) sites, 160 atoms in the cubic cell.
Doped with Nd³⁺ it is the Nd:YAG laser crystal; doped with Ce³⁺ it is the yellow phosphor in white LEDs.
Coordinates from the Crystallography Open Database, entry 1529037 (open data); hydrogen and water sites with partial occupancy below 0.5 are left out.

Atom positions (fractional, one cell)

Atom	x	y	z
O	0.0400	0.0550	0.6400
O	0.1950	0.7900	0.8900
O	0.4600	0.9450	0.1400
O	0.3050	0.2100	0.3900
O	0.0400	0.9450	0.8600
O	0.3050	0.7900	0.1100
O	0.4600	0.0550	0.3600
O	0.1950	0.2100	0.6100
O	0.6400	0.0400	0.0550
O	0.2100	0.3900	0.3050
O	0.8600	0.9600	0.5550
O	0.2900	0.6100	0.8050
O	0.6400	0.9600	0.4450
O	0.2900	0.3900	0.6950
O	0.8600	0.0400	0.9450
O	0.2100	0.6100	0.1950
O	0.0550	0.6400	0.0400
O	0.5550	0.8600	0.9600
O	0.3900	0.3050	0.2100
O	0.9450	0.1400	0.4600
O	0.6100	0.1950	0.2100
O	0.4450	0.3600	0.5400
O	0.3900	0.6950	0.2900
O	0.1100	0.3050	0.7900
O	0.9600	0.9450	0.3600
O	0.8050	0.2100	0.1100
O	0.5400	0.0550	0.8600
O	0.6950	0.7900	0.6100
O	0.9600	0.0550	0.1400
O	0.6950	0.2100	0.8900
O	0.5400	0.9450	0.6400
O	0.8050	0.7900	0.3900
O	0.3600	0.9600	0.9450
O	0.7900	0.6100	0.6950
O	0.1400	0.0400	0.4450
O	0.7100	0.3900	0.1950
O	0.3600	0.0400	0.5550
O	0.7100	0.6100	0.3050
O	0.1400	0.9600	0.0550
O	0.7900	0.3900	0.8050
O	0.9450	0.3600	0.9600
O	0.4450	0.1400	0.0400
O	0.6100	0.6950	0.7900
O	0.0550	0.8600	0.5400
O	0.3900	0.8050	0.7900
O	0.5550	0.6400	0.4600
O	0.6100	0.3050	0.7100
O	0.8900	0.6950	0.2100
O	0.5400	0.5550	0.1400
O	0.6950	0.2900	0.3900
O	0.9600	0.4450	0.6400
O	0.8050	0.7100	0.8900
O	0.5400	0.4450	0.3600
O	0.8050	0.2900	0.6100
O	0.9600	0.5550	0.8600
O	0.6950	0.7100	0.1100
O	0.1400	0.5400	0.5550
O	0.7100	0.8900	0.8050
O	0.3600	0.4600	0.0550
O	0.7900	0.1100	0.3050
O	0.1400	0.4600	0.9450
O	0.7900	0.8900	0.1950
O	0.3600	0.5400	0.4450
O	0.7100	0.1100	0.6950
O	0.5550	0.1400	0.5400
O	0.0550	0.3600	0.4600
O	0.8900	0.8050	0.7100
O	0.4450	0.6400	0.9600
O	0.1100	0.6950	0.7100
O	0.9450	0.8600	0.0400
O	0.8900	0.1950	0.7900
O	0.6100	0.8050	0.2900
O	0.4600	0.4450	0.8600
O	0.3050	0.7100	0.6100
O	0.0400	0.5550	0.3600
O	0.1950	0.2900	0.1100
O	0.4600	0.5550	0.6400
O	0.1950	0.7100	0.3900
O	0.0400	0.4450	0.1400
O	0.3050	0.2900	0.8900
O	0.8600	0.4600	0.4450
O	0.2900	0.1100	0.1950
O	0.6400	0.5400	0.9450
O	0.2100	0.8900	0.6950
O	0.8600	0.5400	0.0550
O	0.2100	0.1100	0.8050
O	0.6400	0.4600	0.5550
O	0.2900	0.8900	0.3050
O	0.4450	0.8600	0.4600
O	0.9450	0.6400	0.5400
O	0.1100	0.1950	0.2900
O	0.5550	0.3600	0.0400
O	0.8900	0.3050	0.2900
O	0.0550	0.1400	0.9600
O	0.1100	0.8050	0.2100
O	0.3900	0.1950	0.7100
Y	0.2500	0.1250	0.0000
Y	0.1250	0.0000	0.2500
Y	0.2500	0.8750	0.5000
Y	0.3750	0.0000	0.7500
Y	0.0000	0.2500	0.1250
Y	0.0000	0.7500	0.3750
Y	0.5000	0.7500	0.6250
Y	0.5000	0.2500	0.8750
Y	0.6250	0.5000	0.7500
Y	0.7500	0.3750	0.0000
Y	0.8750	0.5000	0.2500
Y	0.7500	0.6250	0.5000
Y	0.7500	0.8750	0.0000
Y	0.8750	0.0000	0.7500
Y	0.7500	0.1250	0.5000
Y	0.6250	0.0000	0.2500
Y	0.0000	0.7500	0.8750
Y	0.0000	0.2500	0.6250
Y	0.5000	0.2500	0.3750
Y	0.5000	0.7500	0.1250
Y	0.3750	0.5000	0.2500
Y	0.2500	0.6250	0.0000
Y	0.1250	0.5000	0.7500
Y	0.2500	0.3750	0.5000
Al	0.2500	0.3750	0.0000
Al	0.8750	0.0000	0.2500
Al	0.2500	0.6250	0.5000
Al	0.6250	0.0000	0.7500
Al	0.0000	0.2500	0.3750
Al	0.0000	0.7500	0.6250
Al	0.5000	0.7500	0.8750
Al	0.5000	0.2500	0.1250
Al	0.0000	0.7500	0.1250
Al	0.5000	0.7500	0.3750
Al	0.5000	0.2500	0.6250
Al	0.0000	0.2500	0.8750
Al	0.3750	0.0000	0.2500
Al	0.8750	0.5000	0.7500
Al	0.7500	0.6250	0.0000
Al	0.6250	0.5000	0.2500
Al	0.2500	0.8750	0.0000
Al	0.1250	0.0000	0.7500
Al	0.7500	0.3750	0.5000
Al	0.1250	0.5000	0.2500
Al	0.3750	0.5000	0.7500
Al	0.7500	0.1250	0.0000
Al	0.7500	0.8750	0.5000
Al	0.2500	0.1250	0.5000
Al	0.0000	0.0000	0.0000
Al	0.2500	0.7500	0.2500
Al	0.5000	0.0000	0.5000
Al	0.2500	0.2500	0.7500
Al	0.0000	0.0000	0.5000
Al	0.2500	0.7500	0.7500
Al	0.5000	0.0000	0.0000
Al	0.2500	0.2500	0.2500
Al	0.5000	0.5000	0.0000
Al	0.7500	0.2500	0.2500
Al	0.0000	0.5000	0.5000
Al	0.7500	0.7500	0.2500
Al	0.7500	0.2500	0.7500
Al	0.7500	0.7500	0.7500
Al	0.5000	0.5000	0.5000
Al	0.0000	0.5000	0.0000

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

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Open YAG (yttrium aluminium garnet) in the 3D viewer → · All structures