Research/Sitter/MAGNDATA / 1.172_NiTa2O6.mcif

NiTa₂O₆

MAGNDATA entry 1.172 · 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 ¹m¹m¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 10.6 K (−263 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	A_b b a 2 BNS 41.217
Point group	mm21′
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 6.6778 · b 13.3556 · c 18.3 Å · α 90° · β 90° · γ 90°
Transition	10.55 K (−263 °C)
Measured at	1.5 K
Magnetic ions	Ni
Largest moment component	1.6 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 A_b b a 2 →

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	0	−1.6	0	1.6
Ni1_2	Ni	0	0.25	0.25	0	1.6	0	1.6
Ta1_1	Ta	0	0	0.1658
Ta1_2	Ta	0	0.25	0.4158
Ta1_3	Ta	0	0.25	0.0842
Ta1_4	Ta	0	0	0.8342
O1_1	O	0	0.1535	0
O1_2	O	0	0.8465	0
O1_3	O	0.693	0.25	0.25
O2_1	O	0	0.1485	0.1635
O2_2	O	0	0.8515	0.1635
O2_3	O	0.703	0.25	0.4135
O2_4	O	0.703	0.25	0.0865
O2_5	O	0	0.1485	0.8365
O2_6	O	0	0.8515	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

H. Ehrenberg et al. Journal of Magnetism and Magnetic Materials (1998) · doi:10.1016/S0304-8853(97)01122-0

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.172_NiTa2O6.mcif from MAGNDATA · entry page

sha256 of this copy: 4a97f4074e28dbb8633a5df626b79b00aade5be26542c15a82b528ecb3bcf47c
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.172_NiTa2O6.mcif.