Research/Sitter/MAGNDATA / 1.388_La2NiO3F2.mcif

La₂NiO₃F₂

MAGNDATA entry 1.388 · 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 > 55 K (−218 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	P_A m n a BNS 53.333
Parent space group	C c c m No. 66
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1 0 0] 1k
Cell	a 12.835 · b 5.7935 · c 5.4864 Å · α 90° · β 90° · γ 90°
Transition	>55 K (−218 °C)
Measured at	10 K
Magnetic ions	Ni
Largest moment component	0.7 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_A m n a →

Atom sites · 5 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
La1	La	0.3883	0.7458	0
Ni1	Ni	0.25	0.25	0	0	0	0.7	0.7
O1	O	0.2673	0	0.25
O2	O	0	0.5	0.25
F1	F	0.5869	0.6576	0

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

⬇ 1.388_La2NiO3F2.mcif from MAGNDATA · entry page

sha256 of this copy: ab0e2050e1e78956622d93e0745de200019c59485117b3734aeb34acd95e6a7e
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.388_La2NiO3F2.mcif.