MAGNDATA - Collection of Magnetic Structures

MAGNDATA

Collection of Magnetic Structures

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

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x+1/2,-2x+y,z+1/2,+1	{ m₁₁₀ \| 1/2 0 1/2 }
3	-x,-y,z+1/2,+1	{ 2₀₀₁ \| 0 0 1/2 }
4	x+1/2,2x-y,z,+1	{ m₀₁₀ \| 1/2 0 0 }
(1/2,0,0)' + set click here to show and hide
5	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
6	-x,-2x+y,z+1/2,-1	{ m'₁₁₀ \| 0 0 1/2 }
7	-x+1/2,-y,z+1/2,-1	{ 2'₀₀₁ \| 1/2 0 1/2 }
8	x,2x-y,z,-1	{ m'₀₁₀ \| 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-2x+y,z,+1	m₁₁₀
3	-x,-y,z,+1	2₀₀₁
4	x,2x-y,z,+1	m₀₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,-2x+y,z,-1	m'₁₁₀
7	-x,-y,z,-1	2'₀₀₁
8	x,2x-y,z,-1	m'₀₁₀

Label	Atom type	x	y	z	Multiplicity
Au1	Au	0.16667	0.66667	0.040(25)	4
Ge1	Ge	0.16667	0.66667	0.459(24)	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.25000	2m_y,m_y,m_z	-3.40000	-1.70000	6.00000
2	0.50000	0.00000	0.75000	2m_y,m_y,-m_z	-3.40000	-1.70000	-6.00000
(1/2,0,0)' + set click here to show and hide
3	0.50000	0.00000	0.25000	-2m_y,-m_y,-m_z	3.40000	1.70000	-6.00000
4	0.00000	0.00000	0.75000	-2m_y,-m_y,m_z	3.40000	1.70000	6.00000

Atom	x	y	z
1	0.16667	0.66667	0.04000
2	0.33333	0.33333	0.54000
(1/2,0,0)' + set click here to show and hide
3	0.66667	0.66667	0.04000
4	0.83333	0.33333	0.54000

Atom	x	y	z
1	0.16667	0.66667	0.45900
2	0.33333	0.33333	0.95900
(1/2,0,0)' + set click here to show and hide
3	0.66667	0.66667	0.45900
4	0.83333	0.33333	0.95900

Reference: S. Baran, M. Hofmann, G. Lampert, N. Stusser, A. Szytula, D. Tobbens, P. Smeibidl and S. Kausche, Journal of Magnetism and Magnetic Materials (2001) 236 293-301.
DOI: 10.1016/s0304-8853(01)00463-2
Atomic positions from: same reference

Parent space group (paramagnetic phase): P6₃mc (#186)
Propagation vector: k1 (1/2, 0, 0)

Transition Temperature: 6 K
Experiment Temperature: 1.5 K

Lattice parameters of the magnetic unit cell:
8.80400 4.40200 7.20400 90.00 90.00 120.00
Transformation from parent structure: (2a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P_Cna2₁ (#33.154) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a+b,b,c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: mm2.1' (7.2.21)
    [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	0.25000	4	2m_y,m_y,m_z	-3.4	-1.7	6.	6.68

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.25000	2m_y,m_y,m_z	-3.40000	-1.70000	6.00000
2	0.50000	0.00000	0.75000	2m_y,m_y,-m_z	-3.40000	-1.70000	-6.00000
(1/2,0,0)' + set click here to show and hide
3	0.50000	0.00000	0.25000	-2m_y,-m_y,-m_z	3.40000	1.70000	-6.00000
4	0.00000	0.00000	0.75000	-2m_y,-m_y,m_z	3.40000	1.70000	6.00000

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

Active Irreps:

label	dim. small irrep	dim. full irrep	action
mM2	1	3	primary

Comments:

NPD
Magnetic moment Ho1: 6.7(7)
magnetic moment transformations do not agree with those of the listed symmetry operations, due to the different a,b parameters

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry (4 possible)

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

HoAuGe (#1.34)