Research/Sitter/MAGNDATA / 0.443_Fe4Nb2O9.mcif

Fe₄Nb₂O₉

MAGNDATA entry 0.443 · 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 ¹3̄¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 94 K (−179 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	C 2/c′ BNS 15.88
Parent space group	P 3 c 1 No. 165
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 5.2168 · b 5.2168 · c 14.1774 Å · α 90° · β 90° · γ 120°
Transition	94 K (−179 °C)
Measured at	95 K
Magnetic ions	Fe
Largest moment component	2.42 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 C 2/c′ →

Atom sites · 8 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Nb1	Nb	0	0	0.1426
Fe1	Fe	0.3333	0.6667	0.014	2.42	1.21	0	2.0958
Fe2	Fe	0.3333	0.6667	0.3065	2.42	1.21	0	2.0958
O1_1	O	0.3399	0.3175	0.0834
O1_2	O	0.6825	0.0224	0.0834
O1_3	O	0.9776	0.6601	0.0834
O2_1	O	0.2832	0	0.25
O2_2	O	0	0.2832	0.25

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

R. Jana et al. PHYSICAL REVIEW B (2019) · doi:10.1103/PhysRevB.100.094109

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.443_Fe4Nb2O9.mcif from MAGNDATA · entry page

sha256 of this copy: 5b565adafa1aaa3f730ed0f0420855581d2ac425c1fe94f844039d896ad18187
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.443_Fe4Nb2O9.mcif.