Research/Sitter/MAGNDATA / 0.83_LiFeP2O7.mcif

LiFeP₂O₇

MAGNDATA entry 0.83 · source

altermagnet

No net magnetisation, yet the electron bands are spin-split: the up and down spin sublattices are related only by a rotation or mirror, never by a shift or inversion.

Spin group ²2/²m: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 22 K (−251 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P 2₁ BNS 4.7
Point group	2
Parent space group	P 2₁ No. 4
Spins	collinear · 1 nodal planes · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 4.8091 · b 8.0574 · c 6.928 Å · α 90° · β 109.38° · γ 90°
Transition	22 K (−251 °C)
Measured at	1.5 K
Magnetic ions	Fe
Largest moment component	4.84 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 →

Atom sites · 11 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Li1	Li	0.803	0.384	0.819
Fe1	Fe	0.2195	0.25	0.234	4.84	0	0.9	4.62
P1	P	0.7939	0.4704	0.4166
P2	P	0.6008	0.0709	0.9802
O1	O	0.4029	0.0722	0.1099
O2	O	0.8141	0.2156	0.0198
O3	O	0.1318	0.0616	0.3813
O4	O	0.0619	0.4302	0.3611
O5	O	0.2481	0.4056	0.0103
O6	O	0.3985	0.1016	0.7475
O7	O	0.6082	0.3197	0.4183

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. Solid State Sciences (2002) · doi:10.1016/S1293-2558(02)01347-X

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.83_LiFeP2O7.mcif from MAGNDATA · entry page

sha256 of this copy: 2cecc87cd81f6e12feb62a6fecba3bd85f116b7957254fff560e1da6c7ac69fa
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.83_LiFeP2O7.mcif.