Research/Sitter/MAGNDATA / 1.579_NiTiO3.mcif

NiTiO₃

MAGNDATA entry 1.579 · 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 ¹3̄ × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered < 295 K (22 °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 0 3/2] 1k
Cell	a 5.0312 · b 5.0312 · c 27.5762 Å · α 90° · β 90° · γ 120°
Transition	<295 K (22 °C)
Measured at	4.2 K
Magnetic ions	Ni
Largest moment component	2.25 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 · 7 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ni1	Ni	0	0	0.1765	2.25	0	0	2.25
Ti1	Ti	0	0	0.1765
Ti2	Ti	0	0	0.0735
Ni2	Ni	0	0	0.0735
O1_1	O	0.3067	0.0133	0.1242
O1_2	O	0.9867	0.2933	0.1242
O1_3	O	0.7067	0.6933	0.1242

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

G. Shirane et al. j. Phys. Soc. Jpn. (1959) · doi:10.1143/JPSJ.14.1352

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.579_NiTiO3.mcif from MAGNDATA · entry page

sha256 of this copy: d7ebddb8a801f611a794694f80f548402d22d6785c3584eb89f82aeacbe9c7ff
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.579_NiTiO3.mcif.