Research/Sitter/MAGNDATA / 1.0.28_Tb(DCO2)3.mcif

Tb(DCO₂)₃

MAGNDATA entry 1.0.28 · source

s-wave compensated ferrimagnet

Opposite moments cancel, but the two sublattices aren't related by any symmetry, so the bands split like a ferromagnet's (s-wave).

Spin group ¹3̄¹m: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 1.7 K (−271 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	P 3 m′ 1 BNS 156.51
Parent space group	R 3 m No. 160
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 0 1] 1k
Cell	a 10.4186 · b 10.4186 · c 3.9682 Å · α 90° · β 90° · γ 120°
Transition	1.7 K (−271 °C)
Measured at	1.4 K
Magnetic ions	Tb
Largest moment component	6.8 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 3 m′ 1 →

Atom sites · 15 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Tb1_1	Tb	0	0	0.3333	0	0	3.4	3.4
Tb1_2	Tb	0.6667	0.3333	0.6667	0	0	3.4	3.4
Tb1_3	Tb	0.3333	0.6667	0	0	0	−6.8	6.8
C1_1	C	0.5131	0.4869	0.2185
C1_2	C	0.1797	0.8203	0.5518
C1_3	C	0.8464	0.1536	0.8852
O1_1	O	0.4655	0.5345	0.9871
O1_2	O	0.1321	0.8679	0.3204
O1_3	O	0.7988	0.2012	0.6538
O2_1	O	0.5835	0.4165	0.1665
O2_2	O	0.2501	0.7499	0.4998
O2_3	O	0.9168	0.0832	0.8332
D1_1	D	0.4947	0.5053	0.4855
D1_2	D	0.1613	0.8387	0.8188
D1_3	D	0.828	0.172	0.1522

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.J. Saines et al. Mater. Horiz. (2015) · doi:10.1039/c5mh00113g

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.0.28_Tb(DCO2)3.mcif from MAGNDATA · entry page

sha256 of this copy: fe753d3b3c6c3d78d864bb78b95708f0fa25f491c5cff41d7a91eab689cdceb6
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.0.28_Tb(DCO2)3.mcif.