Research/Sitter/MAGNDATA / 1.654_NiNb2O6.mcif

NiNb₂O₆

MAGNDATA entry 1.654 · 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.

Structure · 10 properties

Magnetic group	P_b 2₁/c BNS 14.81
Point group	2/m1′
Parent space group	P b c n No. 60
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 1/2 0] 1k
Cell	a 14.0217 · b 11.3504 · c 5.015 Å · α 90° · β 90° · γ 90°
Measured at	4.2 K
Magnetic ions	Ni
Largest moment component	1 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_b 2₁/c →

Atom sites · 10 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ni1_1	Ni	0	0.0776	0.25	1	0	0	1
Ni1_2	Ni	0.5	0.1724	0.75	1	0	0	1
Nb1_1	Nb	0.1587	0.1598	0.7486
Nb1_2	Nb	0.3413	0.0902	0.2486
O1_1	O	0.0932	0.1923	0.419
O1_2	O	0.4068	0.0577	0.919
O2_1	O	0.0862	0.0582	0.9201
O2_2	O	0.4138	0.1918	0.4201
O3_1	O	0.2594	0.0554	0.5886
O3_2	O	0.2406	0.1946	0.0886

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. Weitzel et al. Acta Cryst. A (1976) · doi:10.1107/S0567739476001265

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.654_NiNb2O6.mcif from MAGNDATA · entry page

sha256 of this copy: a4ce560337f91e6861cef657bbf1532c5b22fd2b42caf8b84188aa24a4483aa6
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.654_NiNb2O6.mcif.