Research/Sitter/MAGNDATA / 1.394_Pb2BaCuFeO5Cl.mcif

Pb₂BaCuFeO₅Cl

MAGNDATA entry 1.394 · 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.

Structure · 9 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 5.5651 · b 5.5651 · c 22.6662 Å · α 90° · β 90° · γ 90°
Measured at	290 K
Magnetic ions	Fe
Largest moment component	0.99 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)
Ba1	Ba	0	0.5	0.25
Cl1	Cl	0	0	0
Cu1	Cu	0	0	0.1599
Fe1	Fe	0	0	0.1599	0	0.99	0	0.99
O1	O	0	0	0.2539
O2	O	0.75	0.25	0.1455
Pb1	Pb	0	0.5	0.0827

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

⬇ 1.394_Pb2BaCuFeO5Cl.mcif from MAGNDATA · entry page

sha256 of this copy: d82d51f3a5b18c88c0d4ccf91f4a206731a958cfa8778e1a8f9aafab6ec9f12e
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.394_Pb2BaCuFeO5Cl.mcif.