Research/Sitter/MAGNDATA / 0.754_Ca2LaZr2Fe3O12.mcif

Ca₂LaZr₂Fe₃O₁₂

MAGNDATA entry 0.754 · source

noncoplanar magnet

Spins pointing in three dimensions, not confined to a plane.

ordered ≤ 21 K (−252 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	R 3′ c BNS 167.105
Point group	3′m
Parent space group	I a 3 d No. 230
Spins	noncoplanar · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 18.095 · b 18.095 · c 11.069 Å · α 90° · β 90° · γ 120°
Transition	21 K (−252 °C)
Measured at	15 K
Magnetic ions	Fe
Largest moment component	3.3 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 R 3′ c →

Atom sites · 11 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ca1_1	Ca	0.125	0	0.25
Ca1_2	Ca	0.625	0	0.25
La1_1	La	0.125	0	0.25
La1_2	La	0.625	0	0.25
Fe1	Fe	0.1667	0.7083	0.0833	−0.1	3.3	0.2	3.3571
Zr1_1	Zr	0	0	0
Zr1_2	Zr	0.5	0	0
O1_1	O	0.086	0.089	0.116
O1_2	O	0.116	0.256	0.178
O1_3	O	0.614	0.71	0.288
O1_4	O	0.507	0.613	0.089

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

J. Milam-Guerrero et al. Inorg. Chem. (2021) · doi:10.1021/acs.inorgchem.1c00113

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.754_Ca2LaZr2Fe3O12.mcif from MAGNDATA · entry page

sha256 of this copy: 53c737a1a728cb02076327e01b5babd2d993a6243b2d013589aa919091695bf8
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.754_Ca2LaZr2Fe3O12.mcif.