Research/Sitter/MAGNDATA / 0.245_Li1.5Fe(SO4)2.mcif

Li_1.5Fe(SO₄)₂

MAGNDATA entry 0.245 · 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 ≤ 35 K (−238 °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 9.180564 · b 9.04831 · c 13.580979 Å · α 90° · β 90° · γ 90°
Transition	35 K (−238 °C)
Measured at	2 K
Magnetic ions	Fe
Largest moment component	3.49 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	0.464	0.75	0.374
Li1_2	Li	0.536	0.25	0.126
Li2_1	Li	0.69	0.638	0.67
Li2_2	Li	0.31	0.138	0.83
Fe_1	Fe	0.8462	0.6059	0.365	3.49	3.32	0	4.8169
Fe_2	Fe	0.1538	0.1059	0.135	−3.49	−3.32	0	4.8169
S1_1	S	0.6265	0.808	0.5102
S1_2	S	0.3735	0.308	0.9898
S2_1	S	0.5904	0.4411	0.2683
S2_2	S	0.4096	0.9411	0.2317
O11_1	O	0.4667	0.789	0.5283
O11_2	O	0.5333	0.289	0.9717
O12_1	O	0.646	0.9629	0.4726
O12_2	O	0.354	0.4629	0.0274
O13_1	O	0.637	0.7193	0.4175
O13_2	O	0.363	0.2193	0.0825
O14_1	O	0.7427	0.782	0.586
O14_2	O	0.2573	0.282	0.914
O21_1	O	0.493	0.489	0.3507
O21_2	O	0.507	0.989	0.1493
O22_1	O	0.5266	0.496	0.1738
O22_2	O	0.4734	0.996	0.3262
O23_1	O	0.5873	0.2768	0.2816
O23_2	O	0.4127	0.7768	0.2184
O24_1	O	0.7506	0.471	0.2731
O24_2	O	0.2494	0.971	0.2269

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

⬇ 0.245_Li1.5Fe(SO4)2.mcif from MAGNDATA · entry page

sha256 of this copy: d1a0e5eb9e06d6522631e7abbc1f17f7f31f5d9364aee2b5874ee89e36ad8eb3
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.245_Li1.5Fe(SO4)2.mcif.