Research/Sitter/MAGNDATA / 0.363_KFeCl5(D2O).mcif

KFeCl₅(D₂O)

MAGNDATA entry 0.363 · 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 ≤ 14.2 K (−259 °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 62.449
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 13.4391 · b 9.5981 · c 6.9797 Å · α 90° · β 90° · γ 90°
Transition	14.2 K (−259 °C)
Measured at	1.6 K
Magnetic ions	Fe
Largest moment component	3.9 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 · 8 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
K1	K	0.3536	0.497	0.1409
Fe1	Fe	0.1154	0.25	0.195	3.9	0	0	3.9
Cl1	Cl	0.2516	0.25	0.3947
Cl2	Cl	0.2197	0.25	0.9198
Cl3	Cl	0.007	0.25	0.4678
Cl4	Cl	0.1049	0.4961	0.1866
O1	O	0.9921	0.25	0.0239
D1	D	0.9636	0.3324	0.9523

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. Gabas et al. J. Phys.: Condens. Matter (1995) · doi:10.1088/0953-8984/7/24/012

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.363_KFeCl5(D2O).mcif from MAGNDATA · entry page

sha256 of this copy: f4bc766ce02bb22248325c533afcedcc4e7a6dc8f0b3c32fb99e4caf17ca6356
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.363_KFeCl5(D2O).mcif.