Research/Sitter/MAGNDATA / 1.681_PrFe2Al8.mcif

PrFe₂Al₈

MAGNDATA entry 1.681 · 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 ¹2/¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 4.5 K (−269 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	C_a 2/m BNS 12.64
Point group	2/m1′
Parent space group	P b a m No. 55
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1/2 0 1/2] 1k
Cell	a 25.0202 · b 14.4383 · c 8.0822 Å · α 90° · β 90° · γ 90°
Transition	4.5 K (−269 °C)
Measured at	2 K
Magnetic ions	Pr
Largest moment component	2.5 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_a 2/m →

Atom sites · 24 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Pr1_1	Pr	0.1721	0.3179	0	0	0	−2.5	2.5
Pr1_2	Pr	0.0779	0.8179	0	0	0	−2.5	2.5
Fe1_1	Fe	0.0755	0.0924	0
Fe1_2	Fe	0.1745	0.5924	0
Fe2_1	Fe	0.0181	0.4043	0
Fe2_2	Fe	0.2319	0.9043	0
Al1_1	Al	0	0.5	0.25
Al1_2	Al	0.25	0	0.25
Al2_1	Al	0	0	0
Al2_2	Al	0.25	0.5	0
Al3_1	Al	0.0148	0.1336	0.25
Al3_2	Al	0.2352	0.6335	0.25
Al4_1	Al	0.0808	0.3761	0.25
Al4_2	Al	0.1692	0.8761	0.25
Al5_1	Al	0.1184	0.171	0.25
Al5_2	Al	0.1316	0.671	0.25
Al6_1	Al	0.1663	0.4903	0.25
Al6_2	Al	0.0837	0.9903	0.25
Al7_1	Al	0.2299	0.1835	0.25
Al7_2	Al	0.0201	0.6835	0.25
Al8_1	Al	0.1674	0.0372	0
Al8_2	Al	0.0826	0.5372	0
Al9_1	Al	0.0458	0.2515	0
Al9_2	Al	0.2042	0.7515	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

H. Nair et al. J. Phys.: Condens. Matter (2017) · doi:10.1088/1361-648X/aa7b98

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.681_PrFe2Al8.mcif from MAGNDATA · entry page

sha256 of this copy: abbb3bf56945ac56bc5462b454cdc18503ef20404a7b0d351ad0f3ec90626a81
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.681_PrFe2Al8.mcif.