Research/Sitter/MAGNDATA / 0.366_BaCrFeAs2.mcif

BaCrFeAs₂

MAGNDATA entry 0.366 · 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 ¹4/¹m¹m¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 265 K (−8 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	I 4′/m′ m′ m BNS 139.536
Parent space group	I 4/m m m No. 139
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 3.9793 · b 3.9793 · c 13.2532 Å · α 90° · β 90° · γ 90°
Transition	265 K (−8 °C)
Measured at	2 K
Magnetic ions	Cr
Largest moment component	1.09 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 I 4′/m′ m′ m →

Atom sites · 4 sites · CSV

site	element	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ba1	Ba	0	0
Cr1	Cr	0.5	0.25	0	0	1.09	1.09
Fe1	Fe	0.5	0.25
As1	As	0	0.3578

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

K.A. Filsinger et al. PHYSICAL REVIEW B (2017) · doi:10.1103/PhysRevB.95.184414

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.366_BaCrFeAs2.mcif from MAGNDATA · entry page

sha256 of this copy: a9dfd22ce107a934224431ae5b5a09c3828141aecc78f318a5774126084ba2ce
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.366_BaCrFeAs2.mcif.