Research/Sitter/MAGNDATA / 1.182_TlMnO3.mcif

TlMnO₃

MAGNDATA entry 1.182 · 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 ≤ 92 K (−181 °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 m 3m No. 221
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 0 1/2] 1k
Cell	a 7.3506 · b 7.925 · c 10.5537 Å · α 87.9329° · β 47.4081° · γ 89.0047°
Transition	92 K (−181 °C)
Measured at	1.5 K
Magnetic ions	Mn
Largest moment component	3.625 μ_B
Method	NPD, WISH-beamline, ISIS Facility, UK

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)
Tl1	Tl	0.5509	0.742	0.719
Tl2	Tl	0.0525	0.7567	0.7357
Mn1	Mn	0.5	0	0	2.038	−2.446	−3.625	3.7073
Mn2	Mn	0.5	0.5	0	2.038	−2.446	−3.625	3.7073
Mn3	Mn	0	0	0	−2.038	2.446	3.625	3.7073
Mn4	Mn	0	0.5	0	−2.038	2.446	3.625	3.7073
O1	O	−0.0515	0.7654	0.587
O2	O	0.4436	0.7306	−0.0306
O3	O	0.2043	0.4266	0.0462
O4	O	0.8026	−0.0534	0.4435
O5	O	0.2826	0.5625	0.7639
O6	O	0.6861	0.0718	0.764

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

D.D. Khalyavin et al. PHYSICAL REVIEW B (2016) · doi:10.1103/PhysRevB.94.134412

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.182_TlMnO3.mcif from MAGNDATA · entry page

sha256 of this copy: 2737f4b135d44afb00e84079bcda84709f8f787012bbdd20f220fc9d246a1274
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.182_TlMnO3.mcif.