Research/Sitter/MAGNDATA / 0.694_Bi2CuO4.mcif

Bi₂CuO₄

MAGNDATA entry 0.694 · 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 ≤ 47.5 K (−226 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	P 4/n′ c′ c′ BNS 130.431
Parent space group	P 4/n c c No. 130
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 8.5101 · b 8.5101 · c 5.8044 Å · α 90° · β 90° · γ 90°
Transition	47.5 K (−226 °C)
Measured at	19 K
Magnetic ions	Cu
Largest moment component	0.45 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 4/n′ c′ c′ →

Atom sites · 3 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Bi1	Bi	0.169	0.169	0.25
Cu1	Cu	0	0.5	0.117	0	0	0.45	0.45
O1	O	0.292	0.106	−0.044

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

J Konstantinovic et al. J. Phys.: Condens. Matter (1991) · doi:10.1088/0953-8984/3/3/014

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.694_Bi2CuO4.mcif from MAGNDATA · entry page

sha256 of this copy: 630af6e2be38b72e43f5202382d11ae18c18b56271bee1f5166c06c4e44039ca
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.694_Bi2CuO4.mcif.