Research/Sitter/MAGNDATA / 0.98_YBaMn2O5.5.mcif

YBaMn₂O_5.5

MAGNDATA entry 0.98 · source

d-wave altermagnet

No net magnetisation, yet the electron bands are spin-split: the up and down spin sublattices are related only by a rotation or mirror, never by a shift or inversion. d-wave: the splitting changes sign twice around the Fermi surface (2 nodal planes).

Spin group ²m²m¹m: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 120 K (−153 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	I b′ a′ m BNS 72.543
Point group	m′m′m
Parent space group	I c a m No. 72
Spins	collinear · 2 nodal planes · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 8.1612 · b 7.5464 · c 15.2794 Å · α 90° · β 90° · γ 90°
Transition	120 K (−153 °C)
Measured at	1.5 K
Magnetic ions	Mn
Largest moment component	3.7 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 I b′ a′ m →

Atom sites · 10 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Y1	Y	0.2729	0	0.0047
Ba1	Ba	0.2535	0	0.2531
Mn1	Mn	0	0.75	0.8856	3.5	0	0	3.5
Mn2	Mn	0	0.75	0.6233	3.7	0	0	3.7
O1	O	0.2306	0.2792	0.0984
O2	O	0	0.75	0.7482
O3	O	0.0343	0	0.0932
O4	O	0.9709	0	0.3844
O5	O	0.5	0.75	0
O6	O	0	0.75	0

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

C. Perca et al. Chem. Mater. (2005) · doi:10.1021/cm048119k

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.98_YBaMn2O5.5.mcif from MAGNDATA · entry page

sha256 of this copy: 9eaa097f481883ea542edcb34bb242368c13d754ee792c42befcf27e16de216d
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.98_YBaMn2O5.5.mcif.