MAGNDATA - Collection of Magnetic Structures

MAGNDATA

Collection of Magnetic Structures

MAGNDATA: A Collection of magnetic structures with portable cif-type files

Magnetic structure with all atoms

Magnetic structure with only magnetic atoms

Reference: Po-Chun Chang, Sabreen Hammouda, Yung-Hsiang Tung, Yishui Zhou, Iurii Kibalin, Bachir Ouladdiaf, Chao-Hung Du, Yixi Su, J. Appl. Cryst. (2026) 59 809 - 815
DOI: 10.1107/S160057672600230X
Atomic positions from: same reference

Parent space group (paramagnetic phase): P6₃/mmc (#194)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 357.5 K
Experiment Temperature: 2 K

Lattice parameters of the magnetic unit cell:
4.0794 4.0794 16.09040(10) 90 90 120
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P63/mm'c' (#194.270) (standard setting)
    [View symmetry operations]
Transformation to a standard setting: (a,b,c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 6/mm'm' (27.6.105)
    [View symmetry operations]
Symmetry-adapted form of material tensors via
Symmetry-adapted form of material tensors for domain-related equivalent structures via

Positions and magnetic moments of symmetry independent atoms:
From now on, magnetic atoms are in boldface and colored in red. Magnetic moments are expressed in units of μB

     [Show only magnetic atoms]                                             Use MVISUALIZE to:
     [Show all the atoms]

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0	0	0.67296(8)		4	0,0,m_z	0.0	0.0	1.9(2)	1.90
Fe2	Fe	0.6666667	0.3333333	0.75	0.841(16)	2	0,0,m_z	0.0	0.0	1.4(6)	1.40

[Show all magnetic atoms in unit cell and their moment relations]

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mGM2+	1	1	primary	2

Comments:

SND
Structural parameters were fixed to the room-temperature single-crystal X-ray refinement
collinear structure

Comments (symmetry):

1k magnetic structure
1-dim irrep
FM

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