Research/Sitter/MAGNDATA / 0.429_CaCr0.86Fe3.14As3.mcif

CaCr_0.86Fe_3.14As₃

MAGNDATA entry 0.429 · 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 ≤ 90 K (−183 °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 62.443
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 12.16 · b 3.766 · c 11.8 Å · α 90° · β 90° · γ 90°
Transition	90 K (−183 °C)
Measured at	1.5 K
Magnetic ions	Fe
Largest moment component	1.71 μ_B
Method	NSD

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 · 9 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Fe1	Fe	0.0215	0.25	0.3141	0	−0.48	0	0.48
Cr1	Cr	0.0215	0.25	0.3141
Fe2	Fe	0.0661	0.25	0.5383	0	0.46	0	0.46
Fe3	Fe	0.3051	0.25	0.1221	0	1.71	0	1.71
Fe4	Fe	0.3155	0.25	0.7231	0	1.58	0	1.58
Ca1	Ca	0.3382	0.25	0.4305
As1	As	0.3673	0.25	0.9216
As2	As	0.1143	0.25	0.7382
As3	As	0.1003	0.25	0.1197

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

P. Manuel et al. PHYSICAL REVIEW B (2013) · doi:10.1103/PhysRevB.88.104414

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.429_CaCr0.86Fe3.14As3.mcif from MAGNDATA · entry page

sha256 of this copy: 87276c7c274d19603c4e9fc1ef89b0b07cb7648c312c36b3941908704903245e
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.429_CaCr0.86Fe3.14As3.mcif.