Research/Sitter/MAGNDATA / 1.390_La2NiO3F1.93.mcif

La₂NiO₃F_1.93

MAGNDATA entry 1.390 · 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 ¹2/¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

Structure · 9 properties

Magnetic group	P_C 2₁/c BNS 14.84
Parent space group	C 2/c No. 15
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1 0 0] 1k
Cell	a 12.9413 · b 5.7608 · c 5.6186 Å · α 90° · β 88.51° · γ 90°
Measured at	10 K
Magnetic ions	Ni
Largest moment component	1.62 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 P_C 2₁/c →

Atom sites · 5 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
La1	La	0.1123	0.7483	0.9764
Ni1	Ni	0.25	0.25	0	0	0	1.62	1.62
O1	O	0.2704	0.9683	0.7771
O2	O	0	0.5177	0.25
F1	F	0.9118	0.8445	0.967

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

K. Wissel et al. Chem. Mater. (2020) · doi:10.1021/acs.chemmater.0c00193

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.390_La2NiO3F1.93.mcif from MAGNDATA · entry page

sha256 of this copy: 5e1cc8816ad2e74e7cc45d91684ae76e4746b5ca839bccf4156dbea4fea2dc56
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.390_La2NiO3F1.93.mcif.