Research/Sitter/MAGNDATA / 1.298_BaCdVO(PO4)2.mcif

BaCdVO(PO₄)₂

MAGNDATA entry 1.298 · 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 ≤ 1 K (−272 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	P_b n a 2₁ BNS 33.150
Parent space group	P b c a No. 61
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 1/2 0] 1k
Cell	a 8.838 · b 17.83 · c 19.3739 Å · α 90° · β 90° · γ 90°
Transition	1 K (−272 °C)
Measured at	0.1 K
Magnetic ions	V
Largest moment component	0.34 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 n a 2₁ →

Atom sites · 28 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ba1_1	Ba	0.181	0.4909	0.4178
Ba1_2	Ba	0.319	0.5091	0.9177
Cd1_1	Cd	0.1788	0.4388	0.0904
Cd1_2	Cd	0.3212	0.5612	0.5904
V1_1	V	0.0009	0.0726	0.2248	0.34	0	0	0.34
V1_2	V	0.4991	0.9274	0.7248	0.34	0	0	0.34
P1_1	P	0.2522	0.1966	0.2461
P1_2	P	0.2478	0.8034	0.7461
P2_1	P	0.4424	0.3952	0.5238
P2_2	P	0.0576	0.6048	0.0238
O1_1	O	0.0897	0.3346	0.4417
O1_2	O	0.4103	0.6654	0.9417
O2_1	O	0.1482	0.4017	0.2969
O2_2	O	0.3518	0.5982	0.7969
O3_1	O	0.3044	0.4434	0.5475
O3_2	O	0.1956	0.5566	0.0475
O4_1	O	0.0119	0.0707	0.3069
O4_2	O	0.4881	0.9294	0.8069
O5_1	O	0.4024	0.3126	0.54
O5_2	O	0.0976	0.6874	0.04
O6_1	O	0.3534	0.2422	0.1951
O6_2	O	0.1466	0.7579	0.6951
O7_1	O	0.4579	0.4029	0.4438
O7_2	O	0.0421	0.5971	0.9438
O8_1	O	0.1577	0.247	0.2928
O8_2	O	0.3423	0.753	0.7928
O9_1	O	0.1582	0.1472	0.1982
O9_2	O	0.3418	0.8528	0.6982

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

M. Skoulatos et al. PHYSICAL REVIEW B (2019) · doi:10.1103/PhysRevB.100.014405

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.298_BaCdVO(PO4)2.mcif from MAGNDATA · entry page

sha256 of this copy: 7ee3a805ab31c94b60548b51b7fe530694f7cbb938a8552547a1272b817f3d1d
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.298_BaCdVO(PO4)2.mcif.