Research/Sitter/MAGNDATA / 0.751_Ca2YZr2Fe3O12.mcif

Ca₂YZr₂Fe₃O₁₂

MAGNDATA entry 0.751 · source

noncoplanar magnet

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

ordered ≤ 18 K (−255 °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 17.894 · b 17.894 · c 10.978 Å · α 90° · β 90° · γ 120°
Transition	18 K (−255 °C)
Measured at	1.5 K
Magnetic ions	Fe
Largest moment component	3.2 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
Y1_1	Y	0.125	0	0.25
Y1_2	Y	0.625	0	0.25
Fe1	Fe	0.1667	0.7083	0.0833	−0.1	3.2	0.6	3.3061
Zr1_1	Zr	0	0	0
Zr1_2	Zr	0.5	0	0
O1_1	O	0.084	0.091	0.122
O1_2	O	0.119	0.26	0.175
O1_3	O	0.61	0.702	0.282
O1_4	O	0.505	0.608	0.08

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

⬇ 0.751_Ca2YZr2Fe3O12.mcif from MAGNDATA · entry page

sha256 of this copy: 1cda03e428b63f43902b95f56c7634c723a2940a71a9900959340ebac050cfd1
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.751_Ca2YZr2Fe3O12.mcif.