Research/Sitter/MAGNDATA / 1.708_CrPS4.mcif

Cr₁P₁S₄

MAGNDATA entry 1.708 · 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 ¹2/¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 38 K (−235 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	C_c 2 BNS 5.16
Point group	21′
Parent space group	C 2 No. 5
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 0 1/2] 1k
Cell	a 10.871 · b 7.254 · c 12.28 Å · α 90° · β 91.88° · γ 90°
Transition	38 K (−235 °C)
Measured at	1.7 K
Magnetic ions	Cr
Largest moment component	2.84 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 C_c 2 →

Atom sites · 7 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Cr1	Cr	0	0	0	0.48	0	2.84	2.8647
Cr2	Cr	0	0.5095	0	0.48	0	2.84	2.8647
P1	P	0.2971	0.2588	0.0828
S1	S	0.1335	0.9916	0.3503
S2	S	0.1347	0.5248	0.3497
S3	S	0.1062	0.2594	0.0967
S4	S	0.1303	0.7575	0.0726

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

Y. Peng et al. Adv. Mater. (2020) · doi:10.1002/adma.202001200

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.708_CrPS4.mcif from MAGNDATA · entry page

sha256 of this copy: 3dfa1ddc08191cb95b22652341c0a821d8bb82a94b5a0673df79d560908e5f5b
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.708_CrPS4.mcif.

Cr1P1S4

Symmetry

Source

Original file

Cr₁P₁S₄