Research/Sitter/MAGNDATA / 1.297_CuFe2(P2O7)2.mcif

CuFe₂(P₂O₇)₂

MAGNDATA entry 1.297 · 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 ¹2/¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 15.5 K (−258 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	P_a 2₁/c BNS 14.80
Parent space group	P 2₁/n No. 14
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1/2 0 1/2] 1k
Cell	a 13.1842 · b 5.1606 · c 31.2794 Å · α 90° · β 91.98° · γ 90°
Transition	15.5 K (−258 °C)
Measured at	1.4 K
Magnetic ions	Cu, Fe
Largest moment component	4.88 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_a 2₁/c →

Atom sites · 11 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Cu1	Cu	0	0	0	0	−0.83	0	0.83
Fe1	Fe	0.1672	0.2423	0.06	0	−4.88	0	4.88
P1	P	0.1772	0.2754	0.4526
P2	P	0.4749	0.2529	0.4156
O1	O	0.1226	0.2076	0.4933
O2	O	0.0951	0.2838	0.4152
O3	O	0.4595	0.9979	0.4398
O4	O	0.434	0.4755	0.4411
O5	O	0.435	0.2253	0.3711
O6	O	0.254	0.0828	0.4411
O7	O	0.2177	0.5528	0.4567

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

N.E. Khayati et al. Solid State Sciences (2002) · doi:10.1016/S1293-2558(02)00015-8

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.297_CuFe2(P2O7)2.mcif from MAGNDATA · entry page

sha256 of this copy: 2f401532bb5255b7025abbe797e1728e9c2145a00f8a677b7eb8554811fd5846
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.297_CuFe2(P2O7)2.mcif.