Research/Sitter/MAGNDATA / 1.234_Ca2Sr2IrO6.mcif

Ca₂Sr₂IrO₆

MAGNDATA entry 1.234 · 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 ¹1̄ × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 13.1 K (−260 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	P_S 1 BNS 2.7
Parent space group	R 3 No. 148
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 1/2 1] 1k
Cell	a 9.5711 · b 19.1422 · c 11.3933 Å · α 90° · β 90° · γ 120°
Transition	13.1 K (−260 °C)
Measured at	5 K
Magnetic ions	Ir
Largest moment component	0.64 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_S 1 →

Atom sites · 15 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ir1	Ir	0	0	0	−0.33	−0.64	0.41	0.6895
Ir2	Ir	0	0	0.5	0.32	0.63	−0.34	0.6429
Sr1_1	Sr	0.3032	0.1668	0.0832
Sr1_2	Sr	0.6665	0.9849	0.0832
Sr1_3	Sr	0.0303	0.8484	0.0832
Ca1_1	Ca	0.3032	0.1668	0.0832
Ca1_2	Ca	0.6665	0.9849	0.0832
Ca1_3	Ca	0.0303	0.8484	0.0832
Ca2	Ca	0	0	0.2505
O1_1	O	0.8432	0.4081	0.105
O1_2	O	0.1839	0.0135	0.105
O1_3	O	0.9729	0.5784	0.105
O2_1	O	0.3607	0.4251	0.0612
O2_2	O	0.1497	0.7552	0.0612
O2_3	O	0.4896	0.8196	0.0612

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. Sheng et al. Phys. Rev. B (2018) · doi:10.1103/PhysRevB.97.235116

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.234_Ca2Sr2IrO6.mcif from MAGNDATA · entry page

sha256 of this copy: 74a5c0ede1d9b51371b461f695d5409d9b661cbac1efc83351505e7dbec1bca1
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.234_Ca2Sr2IrO6.mcif.