Research/Sitter/MAGNDATA / 1.0.4_CsNiCl3.mcif

CsNiCl₃

MAGNDATA entry 1.0.4 · source

noncollinear antiferromagnet

All moments add up to a net magnetisation: an ordinary magnet. Spin splitting is the same in every direction (s-wave).

ordered ≤ 4.9 K (−268 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	C 22′2₁′ BNS 20.34
Point group	2′2′2
Parent space group	P 6₃/m m c No. 194
Spins	coplanar · net moment 0 μ_B per cell
Propagation	[1/3 1/3 0] · [0 0 0] 1k
Cell	a 12.4205 · b 21.513 · c 5.944 Å · α 90° · β 90° · γ 90°
Transition	4.85 K (−268 °C)
Measured at	4.5 K
Magnetic ions	Ni
Largest moment component	0.6 μ_B
Method	other secondary magnetic irreps allowed and not present: mK4, mK6, mGM6+

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 22′2₁′ →

Atom sites · 10 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Cs1_1	Cs	0.6667	0	0.25
Cs1_2	Cs	0.6667	0.3333	0.25
Ni1_1	Ni	0	0	0.5	0	0	−0.6	0.6
Ni1_2	Ni	0	0.3333	0.5	0.2	0	0.35	0.4031
Ni1_3	Ni	0	0.6667	0.5	−0.2	0	0.35	0.4031
Cl1_1	Cl	0.1535	0	0.25
Cl1_2	Cl	−0.0767	0.0767	0.25
Cl1_3	Cl	0.6535	0.1667	0.25
Cl1_4	Cl	0.4233	0.2434	0.25
Cl1_5	Cl	0.4233	0.0899	0.25

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

W.B. Yelon et al. PHYSICAL REVIEW B (1973) · doi:10.1103/physrevb.7.2024

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.0.4_CsNiCl3.mcif from MAGNDATA · entry page

sha256 of this copy: 3b85650468aff0768288fd319ad1b5f6460767999777c45a8283b130ccc9adf1
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.0.4_CsNiCl3.mcif.