Research/Sitter/MAGNDATA / 1.793_Ca3Ru2O7.mcif

Ca₃Ru₂O₇

MAGNDATA entry 1.793 · 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 ¹m¹m¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 46.7 K (−226 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P_C n a 2₁ BNS 33.154
Point group	mm21′
Parent space group	B b 2₁ m No. 36
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1 0 0] 1k
Cell	a 5.3677 · b 5.5356 · c 19.5212 Å · α 90° · β 90° · γ 90°
Transition	46.7 K (−226 °C)
Measured at	45 K
Magnetic ions	Ru
Largest moment component	1.53 μ_B
Method	NSD

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 n a 2₁ →

Atom sites · 7 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ru1	Ru	0.2533	0.7512	0.4011	0	1.53	0	1.53
Ca1	Ca	0.7382	0.1949	0
Ca2	Ca	0.2443	0.3036	0.3112
O1	O	0.8188	0.2309	0.6987
O2	O	0.837	0.7702	0
O3	O	0.4474	0.95	0.0819
O4	O	0.9481	0.0458	0.1162

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

Q. Faure et al. PHYSICAL REVIEW RESEARCH (2023) · doi:10.1103/PhysRevResearch.5.013040

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.793_Ca3Ru2O7.mcif from MAGNDATA · entry page

sha256 of this copy: 4e9710919166c9be312bdd4a9adfead406dd374f550c4dd64a2d4e3a18a1229e
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.793_Ca3Ru2O7.mcif.