Research/Sitter/MAGNDATA / 1.889_La3Ni2O7.mcif

La₃Ni₂O₇

MAGNDATA entry 1.889 · source

antiferromagnet

No net magnetisation, and up and down sublattices are related by a shift or by inversion, so the bands stay spin-degenerate: a conventional antiferromagnet.

Spin group ¹m¹m¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 149.5 K (−124 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	Pc m m n BNS 59.413
Point group	mmm1′
Parent space group	C m c m No. 63
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 1/2 0] 1k
Cell	a 20.49 · b 5.39 · c 10.92 Å · α 90° · β 90° · γ 90°
Transition	149.5 K (−124 °C)
Measured at	1.5 K
Magnetic ions	Ni
Largest moment component	0.87 μ_B
Method	NPD.

Symmetry

Stereogram of the magnetic point group: each operation applied to one direction. Filled = upper hemisphere, ring = lower; red operations include time reversal. Lines are mirrors; polygons are 2/3/4/6-fold axes; the centre ring is inversion.

Every structure in Pc m m n →

Atom sites · 12 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
La1_1	La	0.75	0.75	0.7508
La1_2	La	0.75	0.25	0.4992
La2_1	La	0.9302	0.25	0.4965
La2_2	La	0.5698	0.75	0.7535
O1_1	O	0.75	0.75	0.5244
O1_2	O	0.75	0.25	0.7256
O2_1	O	0.8385	0	0.875
O3_1	O	0.8557	0.5	0.625
O4_1	O	0.9546	0.75	0.4813
O4_2	O	0.5454	0.25	0.7687
Ni1_1	Ni	0.847	0.25	0.749	0	0.87	0	0.87
Ni1_2	Ni	0.347	0.25	0.999	0	0.16	0	0.16

Moment components are along the crystal axes a, b, c (μ_B), as magCIF writes them. Symmetry generates the rest of the cell from these sites.

Source

Igor Plokhikh et al. Phys. Rev. Research (2026) · doi:10.1103/rw8k-tng5

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.889_La3Ni2O7.mcif from MAGNDATA · entry page

sha256 of this copy: 1c9d818ef56da59d8af8a548f8097024f04b007331a670baf2dfa16cc0294739
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.889_La3Ni2O7.mcif.