Research/Sitter/MAGNDATA / 0.383_LiCoPO4.mcif

LiCoPO₄

MAGNDATA entry 0.383 · 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 ≤ 21.7 K (−251 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	P n m a′ BNS 62.445
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 10.1877 · b 5.9073 · c 4.6891 Å · α 90° · β 90° · γ 90°
Transition	21.7 K (−251 °C)
Measured at	10 K
Magnetic ions	Co
Largest moment component	3.28 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
P1	P	0.0942	0.25	0.4173
Co1	Co	0.2758	0.25	0.983	0	3.28	0	3.28
O1	O	0.0965	0.25	0.746
O2	O	0.4554	0.25	0.2056
O3	O	0.1664	0.0438	0.2801

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

S. Gnewuch et al. Inorg. Chem. (2020) · doi:10.1021/acs.inorgchem.9b03545

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.383_LiCoPO4.mcif from MAGNDATA · entry page

sha256 of this copy: f4956052fb09121ad36d5bb2267367b983c094fbc5bebaab420e54f6ce4f53ad
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.383_LiCoPO4.mcif.