Research/Sitter/MAGNDATA / 0.1177_Cu2P2O7.mcif

Cu₂P₂O₇

MAGNDATA entry 0.1177 · 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 ≤ 24.9 K (−248 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	C 2/c′ BNS 15.88
Point group	2/m′
Parent space group	C 2/c No. 15
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 6.883 · b 8.115 · c 9.166 Å · α 90° · β 109.56° · γ 90°
Transition	24.89 K (−248 °C)
Measured at	2 K
Magnetic ions	Cu
Largest moment component	0.674 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 C 2/c′ →

Atom sites · 6 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Cu1	Cu	0.9851	0.3152	0.5085	0.448	0.01	0.674	0.673
P1	P	0.2022	0.0045	0.2074
O1	O	0	0.05	0.25
O2	O	0.3734	0.9988	0.3629
O3	O	0.2196	0.1524	0.1117
O4	O	0.1734	0.8475	0.116

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

B. Ghanta et al. Phys. Rev. B (2026) · doi:10.1103/s533-s36t

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.1177_Cu2P2O7.mcif from MAGNDATA · entry page

sha256 of this copy: 97d36b924222fe5b4bf13f6b0ab7f3cfd52e2fcb78f2a3f26d578f8843bce9e0
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.1177_Cu2P2O7.mcif.