Research/Sitter/MAGNDATA / 0.882_Bi0.85Ca0.15Fe0.55Mn0.45O3.mcif

Spin lattice of Bi0.85Ca0.15Fe0.55Mn0.45O3

Bi_0.85Ca_0.15Fe_0.55Mn_0.45O₃

MAGNDATA entry 0.882 · 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.

Structure · 10 properties

Magnetic group	P n′ m′ a BNS 62.446
Point group	m′m′m
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 5.52125 · b 7.79853 · c 5.49161 Å · α 90° · β 90° · γ 90°
Measured at	5 K
Magnetic ions	Fe, Mn
Largest moment component	2.21 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 · 6 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Bi1	Bi	0.0238	0.25	0.9931
Ca1	Ca	0.0238	0.25	0.9931
Fe1	Fe	0	0	0.5	0	−2.21	0	2.21
Mn1	Mn	0	0	0.5	0	−2.21	0	2.21
O1	O	0.4726	0.25	0.0745
O2	O	0.2125	0.5455	0.2171

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

V. A. Khomchenko et al. Journal of Alloys and Compounds (2022) · doi:10.1016/j.jallcom.2022.163682

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.882_Bi0.85Ca0.15Fe0.55Mn0.45O3.mcif from MAGNDATA · entry page

sha256 of this copy: 1bb4891c11873a19614184d4799838e18ed4f7740af493ecd4d418e070a76bc7
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.882_Bi0.85Ca0.15Fe0.55Mn0.45O3.mcif.