Research/Sitter/MAGNDATA / 2.46_Pb2BaCuFeO5Cl.mcif

Pb₂BaCuFeO₅Cl

MAGNDATA entry 2.46 · 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 5.5504 · b 5.5504 · c 22.5082 Å · α 90° · β 90° · γ 90°
Measured at	5 K
Magnetic ions	Fe
Largest moment component	2.3 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	0.0821
Pb1_2	Pb	0	0.5	0.5821
Ba1	Ba	0	0.5	0.25
Cu1_1	Cu	0	0	0.1598
Cu1_2	Cu	0	0	0.6598
Fe1_1	Fe	0	0	0.1598	0	2.3	0.82	2.4418
Fe1_2	Fe	0	0	0.6598	0	−1.2	−0.82	1.4534
O1_1	O	0	0	0.2542
O1_2	O	0	0	0.7542
O2_1	O	0.75	0.25	0.1451
O2_2	O	0.25	0.25	0.1451
O2_3	O	0.75	0.25	0.6451
O2_4	O	0.25	0.25	0.6451
Cl1_1	Cl	0	0	0
Cl1_2	Cl	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

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

⬇ 2.46_Pb2BaCuFeO5Cl.mcif from MAGNDATA · entry page

sha256 of this copy: e84df060e6cc643a0df8f93132c180914dfd4d16ef1069fe862e1d95763b8ed6
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 2.46_Pb2BaCuFeO5Cl.mcif.