Research/Sitter/MAGNDATA / 1.112_NiTa2O6.mcif

Ni₁Ta₂O₆

MAGNDATA entry 1.112 · 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 ¹2/¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

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

Structure · 11 properties

Magnetic group	P_c 2₁/c BNS 14.82
Point group	2/m1′
Parent space group	P 4₂/m n m No. 136
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1/4 -1/4 1/2] 1k
Cell	a 18.8672 · b 18.8672 · c 18.2476 Å · α 90° · β 90° · γ 90°
Transition	12 K (−261 °C)
Measured at	2 K
Magnetic ions	Ni
Largest moment component	1.365 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_c 2₁/c →

Atom sites · 15 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ni1_1	Ni	0	0	0	1.365	−1.365	0	1.9304
Ni1_2	Ni	0.125	0.125	0.25	−1.365	1.365	0	1.9304
Ta1_1	Ta	0	0	0.166
Ta1_2	Ta	0.125	0.125	0.416
Ta1_3	Ta	0.125	0.125	0.084
Ta1_4	Ta	0	0	0.834
O1_1	O	0.0767	0.0767	0
O1_2	O	0.0483	0.2018	0.25
O1_3	O	0.2018	0.0483	0.25
O2_1	O	0.0742	0.0742	0.1635
O2_2	O	0.0508	0.1993	0.4135
O2_3	O	0.1993	0.0508	0.4135
O2_4	O	0.0508	0.1993	0.0865
O2_5	O	0.1993	0.0508	0.0865
O2_6	O	0.0742	0.0742	0.8365

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

Law, J.M. et al. PHYSICAL REVIEW B (2014) · doi:10.1103/PhysRevB.89.014423

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.112_NiTa2O6.mcif from MAGNDATA · entry page

sha256 of this copy: 31018a1cd206c9b16a7b02f38c0ebcbc1a42a1fcedf222e75931981aa102f7dd
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.112_NiTa2O6.mcif.

Ni1Ta2O6

Symmetry

Source

Original file

Ni₁Ta₂O₆