Research/Sitter/MAGNDATA / 1.137_Sr2CaIrO6.mcif

Sr₂CaIrO₆

MAGNDATA entry 1.137 · 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 ≤ 58 K (−215 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P_S 1 BNS 2.7
Point group	11′
Parent space group	P 2₁/n No. 14
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1/2 1/2 0] 1k
Cell	a 11.5336 · b 11.632 · c 8.1766 Å · α 90° · β 89.72° · γ 90°
Transition	58 K (−215 °C)
Measured at	2 K
Magnetic ions	Ir
Largest moment component	1.27 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_S 1 →

Atom sites · 16 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Sr1_1	Sr	0.4966	0.0184	0.2492
Sr1_2	Sr	0.7534	0.2683	0.2508
Ca1_1	Ca	0.25	0	0
Ca1_2	Ca	0	0.25	0.5
Ir1_1	Ir	0.25	0	0
Ir1_2	Ir	0	0.25	0.5
Ir2_1	Ir	0.25	0	0.5	0.4	0	−1.27	1.3296
Ir2_2	Ir	0	0.25	0	−0.4	0	1.27	1.3296
Ca2_1	Ca	0.25	0	0.5
Ca2_2	Ca	0	0.25	0
O1_1	O	0.0356	0.2395	0.2299
O1_2	O	0.2144	0.4895	0.2701
O2_1	O	0.3655	0.1537	0.038
O2_2	O	0.8845	0.4037	0.462
O3_1	O	0.0954	0.1145	0.9589
O3_2	O	0.1546	0.3645	0.5411

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. Kayser et al. Eur. J. Inorg. Chem. (2014) · doi:10.1002/ejic.201301080

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.137_Sr2CaIrO6.mcif from MAGNDATA · entry page

sha256 of this copy: 3a514392d2d186291f70b435b64af6db06bec8fe81446b3bb4f754d15736b82c
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.137_Sr2CaIrO6.mcif.