Research/Sitter/MAGNDATA / 0.672_CaCu3Fe2Sb2O12.mcif

CaCu₃Fe₂Sb₂O₁₂

MAGNDATA entry 0.672 · source

s-wave ferrimagnet

Opposite moments of different size leave a net magnetisation.

Spin group ¹m¹3̄: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 160 K (−113 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	P n′ n′ n BNS 48.260
Parent space group	P n 3 No. 201
Spins	collinear · net moment 11.74 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 7.4846 · b 7.4846 · c 7.4846 Å · α 90° · β 90° · γ 90°
Transition	160 K (−113 °C)
Measured at	1.3 K
Magnetic ions	Cu, Fe
Largest moment component	4.33 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′ n′ n →

Atom sites · 9 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ca1	Ca	0.25	0.25	0.25
Cu1_1	Cu	0.25	0.75	0.75	0	0	−0.93	0.93
Cu1_2	Cu	0.75	0.25	0.75	0	0	−0.93	0.93
Cu1_3	Cu	0.75	0.75	0.25	0	0	−0.93	0.93
Fe1	Fe	0	0	0	0	0	4.33	4.33
Sb1	Sb	0.5	0.5	0.5
O1_1	O	0.7528	0.9256	0.0558
O1_2	O	0.0558	0.7528	0.9256
O1_3	O	0.9256	0.0558	0.7528

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

S. A. Larregola et al. Inorg. Chem. (2014) · doi:10.1021/ic500458m

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.672_CaCu3Fe2Sb2O12.mcif from MAGNDATA · entry page

sha256 of this copy: 2ea439e70865080c4b96027ff5595abd1fc3c1082628c7d20bf1f2da4928f24d
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.672_CaCu3Fe2Sb2O12.mcif.