Research/Sitter/MAGNDATA / 1.641_Ba2FeSi2O7.mcif

Ba₂FeSi₂O₇

MAGNDATA entry 1.641 · 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 ¹4/¹m¹m¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 5.2 K (−268 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	C_c m c 2₁ BNS 36.177
Point group	mm21′
Parent space group	P 4 2₁ m No. 113
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 0 1/2] 1k
Cell	a 8.3194 · b 8.3194 · c 10.6672 Å · α 90° · β 90° · γ 90°
Transition	5.2 K (−268 °C)
Measured at	1.7 K
Magnetic ions	Fe
Largest moment component	2.085 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 C_c m c 2₁ →

Atom sites · 11 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ba1_1	Ba	0.1644	0.6644	0.2549
Ba1_2	Ba	0.6644	0.8356	0.7451
Fe1	Fe	0	0	0	2.085	2.085	0	2.9486
Si1_1	Si	0.3645	0.8645	0.4804
Si1_2	Si	0.8645	0.6355	0.5195
O1_1	O	0	0.5	0.0692
O1_2	O	0.5	0	0.9308
O2_1	O	0.3651	0.8651	0.1321
O2_2	O	0.8651	0.6349	0.8679
O3_1	O	0.0769	0.1984	0.0847
O3_2	O	0.1984	0.9231	0.9153

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

T.-H. Jang et al. PHYSICAL REVIEW B (2021) · doi:10.1103/PhysRevB.104.214434

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.641_Ba2FeSi2O7.mcif from MAGNDATA · entry page

sha256 of this copy: ba46a4769764aa1f9267bda5e38bd40c4295a2927a43a6482e1810197a14efee
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.641_Ba2FeSi2O7.mcif.