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: P.J. Brown, T. Chatterji, J. Phys.: Condens. Matter (2006) 18 10085 - 10096
DOI: 10.1088/0953-8984/18/44/008
Atomic positions from: same reference

Parent space group (paramagnetic phase): P6₃cm (#185)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 40 K
Experiment Temperature: 2 K

Lattice parameters of the magnetic unit cell:
6.2 6.2 11.4 90.00 90.00 120.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P6₃'cm' (#185.200) (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' (25.3.93)
    [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\|
Ho1	Ho	0.00000	0.00000	0.2791	2	0,0,m_z	0.0	0.0	-4.17(13)	4.17
Ho2	Ho	0.33333	0.66667	0.2355	4	0,0,m_z	0.0	0.0	1.31(11)	1.31
Mn1	Mn	0.334	0.00000	0.00000	6	m_x,0,m_z	-3.32(8)	0.0	0.0	3.32

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

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mGM4	1	1	primary	4

Comments:

polarized neutron diffraction - single crystal
Relative signs of the Ho and Mn moments listed in a table of the paper are inconsistent with its description in a Figure and the text. These latter have been assumed correct.

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep as primary

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