Research/Sitter/MAGNDATA / 1.395_NdCeBaCuFeO7.mcif

NdCeBaCuFeO₇

MAGNDATA entry 1.395 · 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.

Structure · 9 properties

Magnetic group	C_A c c m BNS 66.500
Parent space group	I 4/m m m No. 139
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1/2 -1/2 0] 1k
Cell	a 5.5078 · b 5.5078 · c 20.8245 Å · α 90° · β 90° · γ 90°
Measured at	5 K
Magnetic ions	Fe
Largest moment component	1.46 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 C_A c c m →

Atom sites · 8 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ba1	Ba	0	0	0.5
Nd1	Nd	0	0	0.6878
Ce1	Ce	0	0	0.6878
Fe1	Fe	0.5	0.5	0.0968	1.46	0	0	1.46
Cu1	Cu	0.5	0.5	0.0968
O1	O	0	0	0
O2	O	0.75	0.25	0.6134
O3	O	0.75	0.25	0.75

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

R.K. Li et al. PHYSICAL REVIEW B (2002) · doi:10.1103/PhysRevB.65.104439

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.395_NdCeBaCuFeO7.mcif from MAGNDATA · entry page

sha256 of this copy: c7b4a8b98879adf0f60cb55f110107e8249b2b540f831ae5fcf40c8b97f57474
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.395_NdCeBaCuFeO7.mcif.