Research/Sitter/MAGNDATA / 1.114_Ca4IrO6.mcif

Ca₄IrO₆

MAGNDATA entry 1.114 · source

noncollinear antiferromagnet

All moments add up to a net magnetisation: an ordinary magnet. Spin splitting is the same in every direction (s-wave).

ordered ≤ 12 K (−261 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	P_C 2/c BNS 13.74
Point group	2/m1′
Parent space group	R 3c No. 167
Spins	coplanar · net moment 0 μ_B per cell
Propagation	[1/2 1/2 0] 1k
Cell	a 18.606 · b 18.606 · c 11.0864 Å · α 90° · β 90° · γ 120°
Transition	12 K (−261 °C)
Magnetic ions	Ir
Largest moment component	0.33 μ_B
Method	NPD and DFT calculations

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/c →

Atom sites · 7 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ca1_1	Ca	0.319	0	0.25
Ca1_2	Ca	0.681	0.681	0.25
Ca2	Ca	0	0	0.25
Ir1	Ir	0	0	0	−0.24	0.04	0.33	0.4215
O1_1	O	0.4206	0.0143	0.1081
O1_2	O	0.9858	0.4063	0.1081
O1_3	O	0.5937	0.5794	0.1081

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

S. Calder et al. PHYSICAL REVIEW B (2014) · doi:10.1103/PhysRevB.89.081104

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.114_Ca4IrO6.mcif from MAGNDATA · entry page

sha256 of this copy: 7668bc59fd1dc72a80e2511529bac99b85453e61bd0ba93a72964dcacab138e7
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.114_Ca4IrO6.mcif.