Research/Sitter/MAGNDATA / 2.45_Pb2BaCuFeO5Br.mcif

Pb₂BaCuFeO₅Br

MAGNDATA entry 2.45 · source

noncollinear antiferromagnet

All moments add up to a net magnetisation: an ordinary magnet. Spin splitting is the same in every direction (s-wave).

Structure · 9 properties

Magnetic group	P_C 2 BNS 3.6
Parent space group	P 4/m m m No. 123
Spins	coplanar · net moment 0 μ_B per cell
Propagation	[1/2 1/2 1/2] · [1/2 1/2 0] 2k
Cell	a 5.5774 · b 5.5774 · c 23.016 Å · α 90° · β 90° · γ 90°
Measured at	5 K
Magnetic ions	Fe
Largest moment component	2.32 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 P_C 2 →

Atom sites · 15 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Pb1_1	Pb	0	0.5	0.086
Pb1_2	Pb	0	0.5	0.586
Ba1	Ba	0	0.5	0.25
Cu1_1	Cu	0	0	0.1615
Cu1_2	Cu	0	0	0.6615
Fe1_1	Fe	0	0	0.1615	0	2.32	0.86	2.4743
Fe1_2	Fe	0	0	0.6615	0	−0.98	−0.86	1.3038
O1_1	O	0	0	0.2544
O1_2	O	0	0	0.7543
O2_1	O	0.75	0.25	0.1477
O2_2	O	0.25	0.25	0.1477
O2_3	O	0.75	0.25	0.6477
O2_4	O	0.25	0.25	0.6477
Br1_1	Br	0	0	0
Br1_2	Br	0	0	0.5

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

A. Virtue et al. PHYSICAL REVIEW B (2002) · doi:10.1103/PhysRevB.65.104439

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 2.45_Pb2BaCuFeO5Br.mcif from MAGNDATA · entry page

sha256 of this copy: 2990130834fdd3bbcb6c9dfbe4702f51d051e9cb1123fa2cca971b0c6f290ced
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 2.45_Pb2BaCuFeO5Br.mcif.