Research/Sitter/MAGNDATA / 0.152_LiFePO4.mcif

LiFePO₄

MAGNDATA entry 0.152 · 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 ≤ 47 K (−226 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P 2₁/c′ BNS 14.78
Point group	2/m′
Parent space group	P n m a No. 62
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 10.3377 · b 6.0112 · c 4.695 Å · α 90° · β 90° · γ 90°
Transition	47 K (−226 °C)
Measured at	10 K
Magnetic ions	Fe
Largest moment component	4.09 μ_B
Method	NSD

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 · 8 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Li1_1	Li	0	0	0
Li1_2	Li	0	0.5	0
Fe1	Fe	0.282	0.25	0.9748	−0.067	4.09	−0.063	4.091
P1	P	0.0948	0.25	0.4181
O1	O	0.097	0.25	0.7422
O2	O	0.4571	0.25	0.2058
O3_1	O	0.1657	0.0464	0.2847
O3_2	O	0.8343	0.5464	0.7154

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. Toft-Petersen et al. PHYSICAL REVIEW B (2015) · doi:10.1103/PhysRevB.92.024404

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.152_LiFePO4.mcif from MAGNDATA · entry page

sha256 of this copy: 6dca62dabca492e2331d4954d0d6fa84d108db01d7e815fcdb7f05dd67613071
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.152_LiFePO4.mcif.