Research/Sitter/MAGNDATA / 0.243_Li2Fe(SO4)2.mcif

Li₂Fe(SO₄)₂

MAGNDATA entry 0.243 · 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 ≤ 12 K (−261 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P 2₁′/c BNS 14.77
Point group	2′/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 9.269688 · b 9.200879 · c 13.669522 Å · α 90° · β 90° · γ 90°
Transition	12 K (−261 °C)
Measured at	2 K
Magnetic ions	Fe
Largest moment component	2.7 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 2₁′/c →

Atom sites · 26 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Li1_1	Li	0.489	0.712	0.3551
Li1_2	Li	0.511	0.212	0.1449
Li2_1	Li	0.747	0.5605	0.6236
Li2_2	Li	0.253	0.0605	0.8764
Fe1_1	Fe	0.8635	0.6024	0.3763	2.7	1.27	0	2.9838
Fe1_2	Fe	0.1365	0.1024	0.1237	−2.7	−1.27	0	2.9838
S1_1	S	0.66	0.8129	0.5108
S1_2	S	0.34	0.3129	0.9892
S2_1	S	0.5777	0.425	0.2734
S2_2	S	0.4223	0.925	0.2266
O1_1	O	0.501	0.8004	0.5198
O1_2	O	0.499	0.3004	0.9802
O2_1	O	0.7107	0.9666	0.4997
O2_2	O	0.2893	0.4666	0.0003
O3_1	O	0.6872	0.7287	0.4193
O3_2	O	0.3128	0.2287	0.0807
O4_1	O	0.7455	0.7411	0.5904
O4_2	O	0.2545	0.2411	0.9096
O5_1	O	0.4847	0.5003	0.347
O5_2	O	0.5153	0.0003	0.153
O6_1	O	0.5326	0.4643	0.172
O6_2	O	0.4674	0.9643	0.328
O7_1	O	0.5684	0.2633	0.2786
O7_2	O	0.4316	0.7633	0.2214
O8_1	O	0.7294	0.4775	0.278
O8_2	O	0.2706	0.9775	0.222

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

⬇ 0.243_Li2Fe(SO4)2.mcif from MAGNDATA · entry page

sha256 of this copy: 59c51106a9914bb8414146f72d766f0c7d3105d4375e7a88d039eff7e9323a64
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.243_Li2Fe(SO4)2.mcif.