Research/Sitter/MAGNDATA / 0.969_CaFe2O4.mcif

Ca₁Fe₂O₄

MAGNDATA entry 0.969 · 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 ≤ 200 K (−73 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	P n m a′ BNS 62.445
Point group	m′mm
Parent space group	P n a m No. 62
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 9.23 · b 10.705 · c 3.024 Å · α 90° · β 90° · γ 90°
Transition	200 K (−73 °C)
Magnetic ions	Fe
Largest moment component	4.26 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 · 7 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Fe1	Fe	0.067	0.11	0.75	0	0	4.26	4.26
Fe2	Fe	0.08	0.608	0.75	0	0	−4.26	4.26
Ca1	Ca	0.244	0.346	0.75
O1	O	0.292	0.662	0.75
O2	O	0.385	0.977	0.75
O3	O	0.479	0.216	0.75
O4	O	0.081	0.924	0.75

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

L. M. Corliss et al. Phys. Rev. (1967) · doi:10.1103/PhysRev.160.408

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.969_CaFe2O4.mcif from MAGNDATA · entry page

sha256 of this copy: 728dc788eaa8a1d284ebc05f7d8e3f1b77715a6fb85e9e9ccd4211bc6c7c8424
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.969_CaFe2O4.mcif.

Ca1Fe2O4

Symmetry

Source

Original file

Ca₁Fe₂O₄