Research/Sitter/MAGNDATA / 0.1060_C3H6MnO6.mcif

C₃H₆MnO₆

MAGNDATA entry 0.1060 · 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 ¹m²m²m: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 2.7 K (−270 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P c′ a 2₁′ BNS 29.101
Point group	m′m2′
Parent space group	P c a 2₁ No. 29
Spins	collinear · 2 nodal planes · net moment 0.2 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 9.65905 · b 7.36956 · c 8.22497 Å · α 90° · β 90° · γ 90°
Transition	2.7 K (−270 °C)
Measured at	2.6 K
Magnetic ions	Mn
Largest moment component	4.3 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 c′ a 2₁′ →

Atom sites · 16 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Mn1	Mn	0.058	0.78	0.0919	0	0.05	4.3	4.3003
C1	C	0.814	0.5163	0.0624
C2	C	0.7392	0.6642	0.9761
C3	C	0.7495	0.8633	0.0478
O1	O	0.9338	0.5374	0.1139
O2	O	0.8591	0.9173	0.115
O3	O	0.1407	0.0426	0.0241
O4	O	0.2478	0.636	0.0793
O5	O	0.0781	0.8155	0.3464
O6	O	0.041	0.7676	0.8131
H1	H	0.6421	0.6141	0.9555
H2	H	0.7867	0.6859	0.851
H3	H	0.1486	0.801	0.4172
H4	H	0.0083	0.8594	0.4079
H5	H	0.0546	0.6676	0.7517
H6	H	0.0824	0.8574	0.7562

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

F.S. Delgado et al. Magnetochemistry (2024) · doi:10.3390/magnetochemistry10120109

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.1060_C3H6MnO6.mcif from MAGNDATA · entry page

sha256 of this copy: 3c4ecc8082c08ea6271d2b9dd913a71a588b7c87a868fb6942cf037efc320f8b
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.1060_C3H6MnO6.mcif.