Research/Sitter/MAGNDATA / 1.592_Pb2NiOsO6.mcif

Pb₂NiOsO₆

MAGNDATA entry 1.592 · 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 ≤ 58 K (−215 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	P_a c BNS 7.27
Parent space group	P 2₁/n No. 14
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1/2 0 1/2] 1k
Cell	a 11.2191 · b 5.5703 · c 15.7428 Å · α 90° · β 89.96° · γ 90°
Transition	58 K (−215 °C)
Measured at	1.5 K
Magnetic ions	Ni, Os
Largest moment component	1.9 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_a c →

Atom sites · 10 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Pb1_1	Pb	0.0015	0.5161	0.1241
Pb1_2	Pb	0.2485	0.0161	0.1258
Ni1	Ni	0	0	0	0	0	1.9	1.9
Os1	Os	0	0	0.25	0	0	−0.378	0.378
O1_1	O	0.4677	0.9896	0.1307
O1_2	O	0.7823	0.4896	0.1193
O2_1	O	0.1158	0.285	0.0164
O2_2	O	0.1343	0.785	0.2336
O3_1	O	0.1431	0.7694	0.0169
O3_2	O	0.1069	0.2694	0.2331

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. L. Feng et al. Chem. Mater. (2021) · doi:10.1021/acs.chemmater.1c01032

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.592_Pb2NiOsO6.mcif from MAGNDATA · entry page

sha256 of this copy: 56a76c2ca8fb13fe4d7368813324c9a99979b14863d0b5fb8a238f359a01d6fb
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.592_Pb2NiOsO6.mcif.