Research/Sitter/MAGNDATA / 0.95_LiFePO4.mcif

LiFePO₄

MAGNDATA entry 0.95 · 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 ≤ 52 K (−221 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P n m a′ BNS 62.445
Point group	m′mm
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	52 K (−221 °C)
Measured at	2 K
Magnetic ions	Fe
Largest moment component	4.19 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 n m a′ →

Atom sites · 6 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Li1	Li	0	0	0
Fe1	Fe	0.2822	0.25	0.9738	0	−4.19	0	4.19
P1	P	0.095	0.25	0.418
O1	O	0.0971	0.25	0.7428
O2	O	0.4573	0.25	0.2067
O3	O	0.166	0.0464	0.2851

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

G. Rousse et al. Chem. Mate. (2003) · doi:10.1021/cm0300462

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.95_LiFePO4.mcif from MAGNDATA · entry page

sha256 of this copy: bfb27b539013968e0cc84bfca85bff803ec0a70486a098df84d1d65517820b10
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.95_LiFePO4.mcif.