Research/Sitter/MAGNDATA / 0.392_Fe3(PO4)2(OH)2.mcif

Fe₃(PO₄)₂(OH)₂

MAGNDATA entry 0.392 · 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.

Structure · 9 properties

Magnetic group	P 2₁/c BNS 14.75
Parent space group	P 2₁/c No. 14
Spins	collinear · 1 nodal planes · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 7.3065 · b 7.5026 · c 7.4105 Å · α 90° · β 118.49° · γ 90°
Measured at	1.5 K
Magnetic ions	Fe
Largest moment component	4.8 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 · 9 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
P1	P	0.9958	0.6136	0.243
Fe1	Fe	0	0	0	1.5	0	4.8	4.292
Fe2	Fe	0.2752	0.7327	0.0076	1.5	0	4.8	4.292
O1	O	0.8017	0.5034	0.1096
O2	O	0.9517	0.7351	0.3816
O3	O	0.1794	0.4867	0.3711
O4	O	0.0609	0.7304	0.1112
O5	O	0.5236	0.6351	0.2603
H1	H	0.574	0.567	0.211

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

M. Poienar et al. Journal of Solid State Chemistry (2020) · doi:10.1016/j.jssc.2020.121357

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.392_Fe3(PO4)2(OH)2.mcif from MAGNDATA · entry page

sha256 of this copy: 2256efb22b5ef32ffee5f3cb5f272c0f9fd8ae14a6cde4b6c05e41b8c876313e
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.392_Fe3(PO4)2(OH)2.mcif.