Research/Sitter/MAGNDATA / 1.393_Pb2BaCuFeO5Br.mcif

Pb₂BaCuFeO₅Br

MAGNDATA entry 1.393 · 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 ≤ 423 K (150 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	I_b m m a BNS 74.562
Parent space group	P 4/m m m No. 123
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1/2 1/2 1/2] 1k
Cell	a 5.5857 · b 5.5857 · c 23.144 Å · α 90° · β 90° · γ 90°
Transition	423 K (150 °C)
Measured at	290 K
Magnetic ions	Fe
Largest moment component	1.01 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_b m m a →

Atom sites · 7 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Pb1	Pb	0	0.5	0.0863
Ba1	Ba	0	0.5	0.25
Cu1	Cu	0	0	0.1618
Fe1	Fe	0	0	0.1618	0	1.01	0	1.01
O1	O	0	0	0.2545
O2	O	0.75	0.25	0.148
Br1	Br	0	0	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

R.K. Li et al. PHYSICAL REVIEW B (2002) · doi:10.1103/PhysRevB.65.104439

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.393_Pb2BaCuFeO5Br.mcif from MAGNDATA · entry page

sha256 of this copy: 0770f49b133a145bd84526d5131ee18aedc277f791b66ddaade317e089deea79
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.393_Pb2BaCuFeO5Br.mcif.