Research/Sitter/MAGNDATA / 0.504_NaCrSi2O6.mcif

NaCrSi₂O₆

MAGNDATA entry 0.504 · 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 ¹2/¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

Structure · 8 properties

Magnetic group	P 1′ BNS 2.6
Parent space group	C 2/c No. 15
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 9.5644 · b 8.6985 · c 5.2635 Å · α 90° · β 107.5076° · γ 90°
Magnetic ions	Cr
Largest moment component	1.75 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 P 1′ →

Atom sites · 10 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Cr1	Cr	0	0.9084	0.25	0	1.5	1.75	2.3049
Na1	Na	0	0.3008	0.25
O1_1	O	0.1142	0.0793	0.1374
O1_2	O	0.8858	0.0793	0.3626
O2_1	O	0.3606	0.2595	0.3053
O2_2	O	0.6394	0.2595	0.1947
O3_1	O	0.3539	0.0105	0.0095
O3_2	O	0.6461	0.0105	0.4905
Si1_1	Si	0.2928	0.0923	0.234
Si1_2	Si	0.7072	0.0923	0.266

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

G. Nenert et al. PHYSICAL REVIEW B (2010) · doi:10.1103/PhysRevB.81.184408

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.504_NaCrSi2O6.mcif from MAGNDATA · entry page

sha256 of this copy: 3721767c1eaa51960be531eff81df208ac184706059efdc485ca291ba2b65e0f
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.504_NaCrSi2O6.mcif.