Research/Sitter/MAGNDATA / 1.617_LiFe(MoO4)2.mcif

LiFe(MoO₄)₂

MAGNDATA entry 1.617 · 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 ¹1̄ × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 23.8 K (−249 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P_S 1 BNS 2.7
Point group	11′
Parent space group	P 1 No. 2
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 1/2 0] 1k
Cell	a 6.751 · b 14.406 · c 7.17 Å · α 90.673° · β 110.227° · γ 105.579°
Transition	23.8 K (−249 °C)
Measured at	1.6 K
Magnetic ions	Fe
Largest moment component	4.2 μ_B
Method	NPD collected at HB2A difractometer at HFIR, ORNL

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_S 1 →

Atom sites · 12 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Mo1	Mo	0.3331	0.2881	0.2913
Mo2	Mo	0.8211	0.4811	0.2228
Fe1	Fe	0.3999	0.0501	0.3184	0.582	4.2	1.296	4.2067
Li1	Li	0.7711	0.2233	0.2593
O1	O	0.4178	0.4204	0.3846
O2	O	0.2536	0.2851	0.0397
O3	O	0.0947	0.2424	0.3361
O4	O	0.4814	0.1922	0.3508
O5	O	0.6858	0.0649	0.2697
O6	O	0.768	0.4764	0.9664
O7	O	0.713	0.3625	0.2649
O8	O	0.1113	0.0233	0.3552

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

M. Liu et al. Inorg. Chem. (2020) · doi:10.1021/acs.inorgchem.0c00432

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.617_LiFe(MoO4)2.mcif from MAGNDATA · entry page

sha256 of this copy: bdaf97cc6c32476f2fd11a621c8b5d190d1ac01055c76fae956f06c390509adb
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.617_LiFe(MoO4)2.mcif.