Research/Sitter/MAGNDATA / 1.704_TbBaFe2O5.mcif

Ta₁Ba₁Fe₂O₅

MAGNDATA entry 1.704 · 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 ¹m¹m¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 285 K (12 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P_a m n a BNS 53.330
Point group	mmm1′
Parent space group	P 4/m m m No. 123
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1/2 1/2 0] · [0 1/2 0] 1k
Cell	a 8.0575 · b 7.7006 · c 7.5526 Å · α 90° · β 90° · γ 90°
Transition	285 K (12 °C)
Measured at	70 K
Magnetic ions	Fe
Largest moment component	4.15 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_a m n a →

Atom sites · 9 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Tb1	Tb	0	0	0.5
Ba1	Ba	0	0	0
Fe1	Fe	0.25	0.25	0.2527	0	4.15	0	4.15
Fe2	Fe	0.75	0.25	0.269	0	−3.65	0	3.65
O1	O	0.25	0.25	0.0019
O2	O	0.25	0	0.681
O3	O	0.25	0	0.3109
O4	O	0.012	0.25	0.3097
O5	O	0.25	0.25	0.5

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. Karen et al. PHYSICAL REVIEW B (2001) · doi:10.1103/PhysRevB.64.214405

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.704_TbBaFe2O5.mcif from MAGNDATA · entry page

sha256 of this copy: 9478ed02b78c934af806d12813341888a966d9704f62b724f5399c033cf1f613
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.704_TbBaFe2O5.mcif.

Ta1Ba1Fe2O5

Symmetry

Source

Original file

Ta₁Ba₁Fe₂O₅