Research/Sitter/MAGNDATA / 1.174_La0.333Ca0.667MnO3.mcif

La_0.333Ca_0.667MnO₃

MAGNDATA entry 1.174 · 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 ≤ 140 K (−133 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P_b m c 2₁ BNS 26.72
Point group	mm21′
Parent space group	P n m a No. 62
Spins	coplanar · net moment 0 μ_B per cell
Propagation	[0 0 1/2] 1k
Cell	a 16.1847 · b 7.4885 · c 10.815 Å · α 90° · β 90° · γ 90°
Transition	140 K (−133 °C)
Measured at	1.5 K
Magnetic ions	Mn
Largest moment component	2.27 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_b m c 2₁ →

Atom sites · 27 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
La1_1	La	0.01	0.25	0.4998
La1_2	La	0.49	0.75	0.7498
Ca1_1	Ca	0.01	0.25	0.4998
Ca1_2	Ca	0.49	0.75	0.7498
La2_1	La	0.3405	0.25	0.0076
La2_2	La	0.1595	0.75	0.2576
Ca2_1	Ca	0.3405	0.25	0.0076
Ca2_2	Ca	0.1595	0.75	0.2576
La3_1	La	0.6724	0.25	0.488
La3_2	La	0.8276	0.75	0.738
Ca3_1	Ca	0.6724	0.25	0.488
Ca3_2	Ca	0.8276	0.75	0.738
Mn1_1	Mn	0.1654	0	0.006	−1.88	0	−1.64	2.4948
Mn1_2	Mn	0.3346	0	0.256	−1.88	0	1.64	2.4948
Mn2	Mn	0	0	0.25	2.27	0	0.6	2.348
O1_1	O	0.1637	0.25	0.0395
O1_2	O	0.3363	0.75	0.2895
O2_1	O	0.5012	0.25	0.031
O2_2	O	0.9988	0.75	0.281
O3_1	O	0.8268	0.25	0.0235
O3_2	O	0.6732	0.75	0.2735
O4_1	O	0.0938	0.0293	0.372
O4_2	O	0.4062	0.9707	0.622
O5_1	O	0.0759	0.9642	0.1163
O5_2	O	0.4241	0.0358	0.3664
O6_1	O	0.2412	0.9674	0.1517
O6_2	O	0.2588	0.0326	0.4017

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.G. Radaelli et al. Phys. Rev. B (1999) · doi:10.1103/PhysRevB.59.14440

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.174_La0.333Ca0.667MnO3.mcif from MAGNDATA · entry page

sha256 of this copy: 197acd6e324f27681351d1262452c9d229c9a09f7a1edded3008c889f4802bd0
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.174_La0.333Ca0.667MnO3.mcif.