Research/Sitter/MAGNDATA / 0.505_Pb2VO(PO4)2.mcif

Pb₂VO(PO₄)₂

MAGNDATA entry 0.505 · 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 ≤ 3.5 K (−270 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	P 2₁/c′ BNS 14.78
Parent space group	P 2₁/a No. 14
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 8.747 · b 9.016 · c 9.863 Å · α 90° · β 100.96° · γ 90°
Transition	3.5 K (−270 °C)
Measured at	1.5 K
Magnetic ions	V
Largest moment component	0.68 μ_B
Method	NSD

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 2₁/c′ →

Atom sites · 14 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
V1	V	0.2558	0.4989	0.0623	0	0.68	0	0.68
Pb1	Pb	0.4809	0.1923	0.3577
Pb2	Pb	0.8955	0.1465	0.7141
P1	P	0.2682	0.5482	0.4276
P2	P	0.0052	0.2494	0.0337
O1	O	0.9248	0.1486	0.1264
O2	O	0.3381	0.59	0.303
O3	O	0.2541	0.3813	0.443
O4	O	0.1018	0.6158	0.4057
O5	O	0.1128	0.3487	0.1263
O6	O	0.8911	0.3369	0.9279
O7	O	0.0825	0.1485	0.9375
O8	O	0.373	0.5999	0.557
O9	O	0.2205	0.4648	0.9046

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

S. Bettler et al. PHYSICAL REVIEW B (2019) · doi:10.1103/PhysRevB.99.184437

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.505_Pb2VO(PO4)2.mcif from MAGNDATA · entry page

sha256 of this copy: 146a873d7528cadcde3c67c8b8b89af5b2be3b8fab699638844617c654811c65
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.505_Pb2VO(PO4)2.mcif.