Research/Sitter/MAGNDATA / 1.227_Ca2Cr2O5.mcif

Ca₂Cr₂O₅

MAGNDATA entry 1.227 · source

p-wave magnet

Coplanar spins, no net moment, and a translation that reverses every spin: spin splitting that is odd in momentum (p-wave).

ordered ≤ 220 K (−53 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	P_C 2₁ BNS 4.12
Parent space group	I 2 m b No. 46
Spins	coplanar · net moment 0 μ_B per cell
Propagation	[1 1 1] 1k
Cell	a 5.42 · b 14.77 · c 5.509 Å · α 90° · β 90° · γ 90°
Transition	220 K (−53 °C)
Measured at	10 K
Magnetic ions	Cr
Largest moment component	1.33 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_C 2₁ →

Atom sites · 10 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ca1_1	Ca	0.497	0.1074	0.012
Ca1_2	Ca	0.497	0.6074	0.988
Cr1_1	Cr	0.001	0	0	0	1.08	−1.33	1.7133
Cr1_2	Cr	0.001	0.5	0	0	1.08	−1.33	1.7133
Cr2	Cr	0.993	0.25	0.936	0	1.08	1.33	1.7133
O1_1	O	0.754	0.4919	0.746
O1_2	O	0.754	0.9919	0.254
O2_1	O	0.022	0.1398	0.036
O2_2	O	0.022	0.6398	0.964
O3	O	0.162	0.25	0.634

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

A.M. Arevalo-Lopez et al. Dalton Trans. (2015) · doi:10.1039/c4dt03780d

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.227_Ca2Cr2O5.mcif from MAGNDATA · entry page

sha256 of this copy: 6bf5c88c5344a4ab223c15040819bbe74f70cee9133fcd578838e4cdcfaf16d5
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.227_Ca2Cr2O5.mcif.