Research/Sitter/MAGNDATA / 1.221_YBa2Fe3O7.84.mcif

YBa₂Fe₃O_7.84

MAGNDATA entry 1.221 · 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	C_a2/m BNS 12.64
Parent space group	P m m m No. 47
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1/2 1/2 1/2] 1k
Cell	a 7.8088 · b 7.8362 · c 23.5078 Å · α 90° · β 90° · γ 90°
Measured at	10 K
Magnetic ions	Fe
Largest moment component	2.69 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_a2/m →

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	0.0827
Fe1	Fe	0	0	0	2.69	−2.69	0	3.8042
Fe2	Fe	0	0	0.1696	−2.69	2.69	0	3.8042
O1	O	0	0	0.0909
O2	O	0.25	0	0.1913
O3	O	0	0.25	0.1907
O4	O	0	0.25	0
O5	O	0.25	0	0

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

⬇ 1.221_YBa2Fe3O7.84.mcif from MAGNDATA · entry page

sha256 of this copy: ab02db89d3b6cb46fdc12030bf99b8393823f2a912ec8b0bc613a5f7ef58d5ba
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.221_YBa2Fe3O7.84.mcif.