Research/Sitter/MAGNDATA / 0.61_Li2FeP2O7.mcif

Li₂FeP₂O₇

MAGNDATA entry 0.61 · source

noncollinear antiferromagnet

All moments add up to a net magnetisation: an ordinary magnet. Spin splitting is the same in every direction (s-wave).

ordered ≤ 9 K (−264 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P 2₁/c BNS 14.75
Point group	2/m
Parent space group	P 2₁/c No. 14
Spins	coplanar · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 11.0192 · b 9.7488 · c 9.8057 Å · α 90° · β 101.569° · γ 90°
Transition	9 K (−264 °C)
Measured at	2 K
Magnetic ions	Fe
Largest moment component	3.54 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 2₁/c →

Atom sites · 26 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Fe1	Fe	0.6723	0.5715	0.6947	3.54	0	0	3.54
Fe2	Fe	0.8233	0.3872	0.7557	2.9	0	2.68	3.532
Li1	Li	0.8233	0.3872	0.7557
Fe3	Fe	0.0369	0.069	0.655	−3.54	0	0	3.54
P1	P	0.5737	0.648	0.3764
P2	P	0.2456	0.5689	0.565
P3	P	0.8894	0.7976	0.6159
P4	P	0.7877	0.0434	0.5258
O1	O	0.8548	0.137	0.6183
O2	O	0.7863	0.0319	0.3739
O3	O	0.375	0.5841	−0.0157
O4	O	0.1091	0.5658	0.5693
O5	O	0.6909	0.3244	0.3395
O6	O	0.7335	0.4132	0.5859
O7	O	0.0727	0.2754	0.0159
O8	O	0.4156	0.2902	0.1869
O9	O	0.8459	0.6667	0.6833
O10	O	−0.0058	0.8669	0.7157
O11	O	0.4817	0.9339	0.7775
O12	O	0.5528	0.6609	0.5243
O13	O	0.2922	0.0744	0.1168
O14	O	0.2258	0.1038	0.4004
Li2	Li	0.445	0.727	0.106
Li3	Li	−0.028	0.625	0.429
Li4	Li	0.436	0.584	0.513
Li5	Li	0.0369	0.069	0.655

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

P. Barpanda et al. Inorg. Chem. (2013) · doi:10.1021/ic302816w

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.61_Li2FeP2O7.mcif from MAGNDATA · entry page

sha256 of this copy: 4d5432f66ea09eecc343652d226d0b53d888293c6eb8e7be0396a27ab395c029
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.61_Li2FeP2O7.mcif.