Research/Sitter/MAGNDATA / 3.14_FeI2.mcif

FeI₂

MAGNDATA entry 3.14 · source

s-wave ferrimagnet

Opposite moments of different size leave a net magnetisation.

Spin group ¹2/¹m: each symmetry marked ¹ keeps every spin, ² swaps up and down.

Structure · 8 properties

Magnetic group	C2′/m′ BNS 12.62
Parent space group	P 3m 1 No. 164
Spins	collinear · net moment 12 μ_B per cell
Propagation	[1/6 1/6 0] · [1/6 -1/3 0] · [1/3 -1/6 0] 3k
Cell	a 24.3 · b 24.3 · c 6.76 Å · α 90° · β 90° · γ 120°
Magnetic ions	Fe
Largest moment component	1 μ_B
Method	SCND

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 C2′/m′ →

Atom sites · 12 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Fe1_1	Fe	0	0	0	0	0	−1	1
Fe1_2	Fe	0	0.1667	0	0	0	1	1
Fe1_3	Fe	0	0.3333	0	0	0	1	1
Fe1_4	Fe	0	0.5	0	0	0	1	1
Fe1_5	Fe	0	0.8333	0	0	0	−1	1
I1_1	I	0.0556	0.1111	0.25
I1_2	I	0.1111	0.0556	0.75
I1_3	I	0.0556	0.2778	0.25
I1_4	I	0.0556	0.4444	0.25
I1_5	I	0.0556	0.9444	0.25
I1_6	I	0.2222	0.1111	0.25
I1_7	I	0.2222	0.7778	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

A. Wiedenmann et al. Physica B (1989) · doi:10.1016/0921-4526(89)90661-3

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 3.14_FeI2.mcif from MAGNDATA · entry page

sha256 of this copy: d6a70e57b729d3c3de323e8220e25809dbbcbe75c1c90710e094efd46d5acebe
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 3.14_FeI2.mcif.