Research/Sitter/MAGNDATA / 1.220_YBa2Fe3O8.08.mcif

YBa₂Fe₃O_8.08

MAGNDATA entry 1.220 · 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.

Structure · 9 properties

Magnetic group	I_bmma BNS 74.562
Parent space group	P 4/m m m No. 123
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1/2 1/2 1/2] 1k
Cell	a 7.8272 · b 7.8272 · c 23.6198 Å · α 90° · β 90° · γ 90°
Measured at	298 K
Magnetic ions	Fe
Largest moment component	2.46 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 I_bmma →

Atom sites · 9 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Y1	Y	0.25	0.25	0.25
Ba1	Ba	0.25	0.25	0.0832
Fe1	Fe	0	0	0	2.46	−2.46	0	3.479
Fe2	Fe	0	0	0.1699	−2.46	2.46	0	3.479
O1	O	0	0	0.0909
O2	O	0	0.25	0.1908
O3	O	0	0.25	0.1697
O4	O	0	0.25	0
O5	O	0	0	0.25

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. Journal of Solid State Chemistry (2003) · doi:10.1016/S0022-4596(03)00180-4

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.220_YBa2Fe3O8.08.mcif from MAGNDATA · entry page

sha256 of this copy: b6133ed33ce23e3b1bf2a5f42c6e1bdaf62eb386b61c351e907509ba548c4a26
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.220_YBa2Fe3O8.08.mcif.