Research/Sitter/MAGNDATA / 1.588_NdFeAsO.mcif

NdFeAsO

MAGNDATA entry 1.588 · 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 ≤ 141 K (−132 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	I_c b c a BNS 73.553
Parent space group	C m m e No. 67
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1 0 1/2] 1k
Cell	a 5.6154 · b 5.5856 · c 17.1182 Å · α 90° · β 90° · γ 90°
Transition	141 K (−132 °C)
Measured at	30 K
Magnetic ions	Fe, Nd
Largest moment component	0.25 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_c b c a →

Atom sites · 4 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Nd1	Nd	0	0.25	0.0695
Fe1	Fe	0.25	0	0.25	0.25	0	0	0.25
As1	As	0	0.25	0.3293
O1	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

Y. Chen et al. PHYSICAL REVIEW B (2008) · doi:10.1103/PhysRevB.78.064515

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.588_NdFeAsO.mcif from MAGNDATA · entry page

sha256 of this copy: 27a1f06d19468d3e500aeea66bb606952d18186ddfbbe8ccec895dcc5b792d6c
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.588_NdFeAsO.mcif.