Research/Sitter/MAGNDATA / 0.1024_BaFe2Se4.mcif

Ba₁Fe₂Se₄

MAGNDATA entry 0.1024 · source

noncollinear ferrimagnet

Opposite moments of different size leave a net magnetisation.

ordered ≤ 310 K (37 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	C 2′ BNS 5.15
Point group	2′
Parent space group	I 4/m No. 87
Spins	coplanar · net moment 2.68 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 8.015 · b 8.015 · c 5.4936 Å · α 90° · β 90° · γ 90°
Transition	310 K (37 °C)
Measured at	2 K
Magnetic ions	Fe
Largest moment component	1.98 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 2′ →

Atom sites · 5 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Fe1_1	Fe	0	0.5	0.25	−1.98	0.67	0	2.0903
Fe1_2	Fe	0.5	0	0.25	1.98	0.67	0	2.0903
Ba1	Ba	0	0	0.5
Se1_1	Se	0.7036	0.1235	0
Se1_2	Se	0.8765	0.7036	0

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

X. Liu et al. PHYSICAL REVIEW B (2020) · doi:10.1103/PhysRevB.102.180403

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.1024_BaFe2Se4.mcif from MAGNDATA · entry page

sha256 of this copy: 911cfbe3b118179009834b83f74ecb1be40cbd47cadc5c69cf96f38346f713fa
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.1024_BaFe2Se4.mcif.

Ba1Fe2Se4

Symmetry

Source

Original file

Ba₁Fe₂Se₄