Research/Sitter/MAGNDATA / 0.246_LiFe(SO4)2.mcif

LiFe(SO₄)₂

MAGNDATA entry 0.246 · 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 ≤ 42 K (−231 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P b′ c′ a′ BNS 61.437
Point group	m′m′m′
Parent space group	P b c a No. 61
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 9.158921 · b 8.918134 · c 13.395553 Å · α 90° · β 90° · γ 90°
Transition	42 K (−231 °C)
Measured at	2 K
Magnetic ions	Fe
Largest moment component	4.12 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 b′ c′ a′ →

Atom sites · 12 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Li1	Li	0.4421	0.7021	0.379
Fe	Fe	0.8591	0.6076	0.3719	0	0	4.12	4.12
S1	S	0.6521	0.8127	0.5061
S2	S	0.5815	0.4357	0.274
O11	O	0.4973	0.793	0.5265
O12	O	0.688	0.974	0.4881
O13	O	0.6895	0.7271	0.4172
O14	O	0.7403	0.7664	0.5956
O21	O	0.4882	0.4977	0.353
O22	O	0.5199	0.4773	0.176
O23	O	0.5854	0.2701	0.2742
O24	O	0.7301	0.4964	0.2775

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

L. Lander et al. Inorg. Chem. (2016) · doi:10.1021/acs.inorgchem.6b01844

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.246_LiFe(SO4)2.mcif from MAGNDATA · entry page

sha256 of this copy: c6599693c92694e2c7af1a52d60dc8786ad341aef8307d853a5f1c0daf4a9a1a
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.246_LiFe(SO4)2.mcif.