Research/Sitter/MAGNDATA / 0.253_Cs2FeCl5.D2O.mcif

Cs₂FeCl₅.D₂O

MAGNDATA entry 0.253 · source

noncollinear ferrimagnet

Opposite moments of different size leave a net magnetisation.

ordered ≤ 6.6 K (−267 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	C 2 BNS 5.13
Parent space group	C 2/c No. 15
Spins	coplanar · net moment 17.6 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 17.051 · b 7.3527 · c 16.1364 Å · α 90° · β 89.95° · γ 90°
Transition	6.6 K (−267 °C)
Measured at	1.8 K
Magnetic ions	Fe
Largest moment component	3.65 μ_B
Method	NSD and 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 2 →

Atom sites · 22 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Fe1_1	Fe	0.8781	0.0041	0.6252	1.07	2.2	3.65	4.3948
Fe1_2	Fe	0.1219	0.9959	0.3748	−1.07	2.2	−3.65	4.3948
Cl1_1	Cl	0.7441	0.0064	0.6226
Cl1_2	Cl	0.2559	0.9936	0.3774
Cl2_1	Cl	0.8914	0.7899	0.514
Cl2_2	Cl	0.1086	0.2101	0.486
Cl3_1	Cl	0.8878	0.243	0.5289
Cl3_2	Cl	0.1122	0.757	0.4711
Cl4_1	Cl	0.8913	0.2191	0.7363
Cl4_2	Cl	0.1087	0.7809	0.2637
Cl5_1	Cl	0.8836	0.7683	0.7243
Cl5_2	Cl	0.1164	0.2317	0.2757
O1_1	O	0.0059	0.9924	0.6264
O1_2	O	0.9941	0.0076	0.3736
Cs1_1	Cs	0.9709	0.5244	0.8748
Cs1_2	Cs	0.0291	0.4756	0.1252
Cs2_1	Cs	0.743	0.4924	0.1247
Cs2_2	Cs	0.257	0.5076	0.8753
D1_1	D	0.0318	0.0423	0.5767
D1_2	D	0.9682	0.9577	0.4233
D2_1	D	0.0333	0.0452	0.6728
D2_2	D	0.9667	0.9548	0.3272

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

O. Fabelo et al. PHYSICAL REVIEW B (2017) · doi:10.1103/PhysRevB.96.104428

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.253_Cs2FeCl5.D2O.mcif from MAGNDATA · entry page

sha256 of this copy: 01e4ec26a6d862cd478e21df3391eaad9ef78950f7f5541c63e365151cafd8de
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.253_Cs2FeCl5.D2O.mcif.