Research/Sitter/MAGNDATA / 0.206_Ca2Fe0.875Cr0.125GaO5.mcif

Ca₂Fe_0.875Cr_0.125GaO₅

MAGNDATA entry 0.206 · 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 ²m¹m²m: each symmetry marked ¹ keeps every spin, ² swaps up and down.

Structure · 9 properties

Magnetic group	P n′ m′ a BNS 62.446
Parent space group	P n m a No. 62
Spins	collinear · 2 nodal planes · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 5.3866 · b 14.6325 · c 5.5972 Å · α 90° · β 90° · γ 90°
Measured at	6 K
Magnetic ions	Cr, Fe
Largest moment component	3.15 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 n′ m′ a →

Atom sites · 9 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ca1	Ca	0.4821	0.1083	0.0268
Fe1	Fe	0	0	0	3.15	0	0	3.15
Cr1	Cr	0	0	0	3.15	0	0	3.15
Ga2	Ga	0	0	0
Fe2	Fe	0.4496	0.25	0.5691	0.93	0	0	0.93
Ga1	Ga	0.4496	0.25	0.5691
O1	O	0.2641	0.9846	0.2401
O2	O	0.0229	0.1411	0.0717
O3	O	0.6039	0.25	0.875

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

R. Dhal et al. Journal of Solid State Chemistry (2018) · doi:10.1016/j.jssc.2018.06.013

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.206_Ca2Fe0.875Cr0.125GaO5.mcif from MAGNDATA · entry page

sha256 of this copy: 638c5e8248fa6670cd56c001281059ae9c6746df834709a2c2b93ead931ab9b1
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.206_Ca2Fe0.875Cr0.125GaO5.mcif.