Research/Sitter/MAGNDATA / 1.235_Ba(TiO)Cu4(PO4)4.mcif

Ba(TiO)Cu₄(PO₄)₄

MAGNDATA entry 1.235 · source

noncoplanar magnet

Spins pointing in three dimensions, not confined to a plane.

ordered ≤ 9.5 K (−264 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	P_c 4₂ 2₁ 2 BNS 94.132
Parent space group	P 4 2₁ 2 No. 90
Spins	noncoplanar · net moment 0 μ_B per cell
Propagation	[0 0 1/2] 1k
Cell	a 9.6028 · b 9.6028 · c 14.2418 Å · α 90° · β 90° · γ 90°
Transition	9.5 K (−264 °C)
Measured at	1.5 K
Magnetic ions	Cu
Largest moment component	0.57 μ_B
Method	NPD and single crystal neutron polarimetry (SNP)

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 4₂ 2₁ 2 →

Atom sites · 9 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ba1	Ba	0	0	0
Cu1	Cu	0.268	0.9881	0.2021	0.56	0.03	−0.57	0.7996
Ti1	Ti	0	0.5	0.0102
P1	P	0.2815	0.1921	0.3699
O1	O	0.3493	0.1351	0.2783
O2	O	0.1247	0.1621	0.3659
O3	O	0.3374	0.1116	0.4548
O4	O	0	0.5	0.3915
O5	O	0.3173	0.3473	0.3765

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

P. Babkevich et al. Phys. Rev. B (2017) · doi:10.1103/PhysRevB.96.214436

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.235_Ba(TiO)Cu4(PO4)4.mcif from MAGNDATA · entry page

sha256 of this copy: 72324eb087ee50bef3fb947fbf4d29a42fff22449980b6f3f983d64033fcbac0
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.235_Ba(TiO)Cu4(PO4)4.mcif.