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: S. Jonen, N. Metoki, F. Honda, K. Kaneko, E. Yamamoto, Y. Haga, D. Aoki, Y. Homma, Y. Shiokawa and Y. Ōnuki, Physical Review B (2006) 74 144412.
DOI: 10.1103/physrevb.74.144412
Atomic positions from: same reference

Parent space group (paramagnetic phase): P4/mmm (#123)
Propagation vector: k1 (0, 0, 1/2)

Transition Temperature: 33 K
Experiment Temperature: 3 K

Lattice parameters of the magnetic unit cell:
4.29100 4.29100 13.66600 90.00 90.00 90.00
Transformation from parent structure: (a,b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: C_cmcm (#63.466) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a-b,a+b,c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: mmm.1' (8.2.25)
    [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	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Rh1	Rh	0.00000	0.00000	0.25000	2	0,0,0	0.0	0.0	0.0	0.00
Np1	Np	0.00000	0.00000	0.00000	2	m_x,-m_x,0	0.63	-0.63	0.0	0.89

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

Active Irreps:

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mZ5+	2	2	special	primary	1

Comments:

NSD
Above 33K and below 36K the spins reorient along c, with a different MSG (see #1.261)
2-dim irrep active

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry (6 possible)

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