MAGNDATA - Collection of Magnetic Structures

Magnetic structure with only magnetic atoms

N	(x,y,z)	Seitz notation
1	x1,x2,x3,x4,+1	{ 1 \| 0 }
2	x1,-x2,-x3,-x4+1/2,+1	{ 2₁₀₀ \| 0 0 0 1/2 }
3	-x1,-x2,-x3,-x4,+1	{ -1 \| 0 }
4	-x1,x2,x3,x4+1/2,+1	{ m₁₀₀ \| 0 0 0 1/2 }
(0,0,0,1/2)' + set click here to show and hide
5	x1,x2,x3,x4+1/2,-1	{ 1' \| 0 0 0 1/2 }
6	x1,-x2,-x3,-x4,-1	{ 2'₁₀₀ \| 0 }
7	-x1,-x2,-x3,-x4+1/2,-1	{ -1' \| 0 0 0 1/2 }
8	-x1,x2,x3,x4,-1	{ m'₁₀₀ \| 0 }
(1/2,1/2,1/2,0) + set click here to show and hide
9	x1+1/2,x2+1/2,x3+1/2,x4,+1	{ 1 \| 1/2 1/2 1/2 0 }
10	x1+1/2,-x2+1/2,-x3+1/2,-x4+1/2,+1	{ 2₁₀₀ \| 1/2 1/2 1/2 1/2 }
11	-x1+1/2,-x2+1/2,-x3+1/2,-x4,+1	{ -1 \| 1/2 1/2 1/2 0 }
12	-x1+1/2,x2+1/2,x3+1/2,x4+1/2,+1	{ m₁₀₀ \| 1/2 1/2 1/2 1/2 }
(1/2,1/2,1/2,1/2)' + set click here to show and hide
13	x1+1/2,x2+1/2,x3+1/2,x4+1/2,-1	{ 1' \| 1/2 1/2 1/2 1/2 }
14	x1+1/2,-x2+1/2,-x3+1/2,-x4,-1	{ 2'₁₀₀ \| 1/2 1/2 1/2 0 }
15	-x1+1/2,-x2+1/2,-x3+1/2,-x4+1/2,-1	{ -1' \| 1/2 1/2 1/2 1/2 }
16	-x1+1/2,x2+1/2,x3+1/2,x4,-1	{ m'₁₀₀ \| 1/2 1/2 1/2 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,-z,+1	2₁₀₀
3	-x,-y,-z,+1	-1
4	-x,y,z,+1	m₁₀₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	x,-y,-z,-1	2'₁₀₀
7	-x,-y,-z,-1	-1'
8	-x,y,z,-1	m'₁₀₀

Label	Atom type	x	y	z	Multiplicity
Ni1	Ni	0.00000	0.50000	0.25000	4
Ge1	Ge	0.00000	0.00000	0.37200	4

Atom	Magnetic moment Fourier Cos coeffs	Magnetic moment Fourier Sin coeffs
Symmetry constraints	Numerical values	Symmetry constraints	Numerical values
x	y	z	x	y	z	x	y	z	x	y	z
Dy1	0	M_ycos1	M_zcos1	0.0	2.67	7.33	0	0	0	0.0	0.0	0.0

Atom	x	y	z
1	0.00000	0.00000	0.00000
(0,0,0,1/2)' + set click here to show and hide
2	0.50000	0.50000	0.50000

Atom	Magnetic moment Fourier Cos coeffs	Magnetic moment Fourier Sin coeffs
Symmetry constraints	Numerical values	Symmetry constraints	Numerical values
x	y	z	x	y	z	x	y	z	x	y	z
1	0	M_ycos1	M_zcos1	0.0	2.67000	7.33000	0	0	0	0.0	0.0	0.0
(0,0,0,1/2)' + set click here to show and hide
2	0	M_ycos1	M_zcos1	0.0	2.67000	7.33000	0	0	0	0.0	0.0	0.0

Atom	x	y	z
1	0.00000	0.50000	0.25000
(0,0,0,1/2)' + set click here to show and hide
2	0.00000	0.50000	0.75000
(1/2,1/2,1/2,0) + set click here to show and hide
3	0.50000	0.00000	0.75000
(1/2,1/2,1/2,1/2)' + set click here to show and hide
4	0.50000	0.00000	0.25000

Atom	x	y	z
1	0.00000	0.00000	0.37200
(0,0,0,1/2)' + set click here to show and hide
2	0.00000	0.00000	0.62800
(1/2,1/2,1/2,0) + set click here to show and hide
3	0.50000	0.50000	0.87200
(1/2,1/2,1/2,1/2)' + set click here to show and hide
4	0.50000	0.50000	0.12800

Reference: G. Andre, P. Bonville, F. Bouree, A. Bombik, M. Kolenda, A. Oles, A. Pacyna, W. Sikora, A. Szytula, Journal of Alloys and Compounds (1995) 224 253 - 261
DOI: 10.1016/0925-8388(95)01545-0
Atomic positions from: ICSD #79937

Parent space group (paramagnetic phase): I4/mmm (#139)
Propagation vector: k1 (0.00000, 0.00000, 0.788)

Transition Temperature: 8.5 K
Experiment Temperature: 1.4 K

Lattice parameters of the basic unit cell:
4.03900 4.03900 9.80300 90.00000 90.00000 90.00000
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

Magnetic Superspace Group: I2/m111'(0,0,g)0ss
    [View symmetry operations]

Magnetic Point Group: 2/m1' (5.2.13)
    [View symmetry operations]
Symmetry-adapted form of material tensors via

Average positions, magnetic moments and magnetic modulations 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]
     [Show all the atoms]

Average atomic positions of symmetry independent atoms

Label	Atom type	x	y	z	Multiplicity
Dy1	Dy	0.00000	0.00000	0.00000	2

Magnetic moment modulation parameters of symmetry independent atoms

Wave vector 1

Atom	Magnetic moment Fourier Cos coeffs						Magnetic moment Fourier Sin coeffs
	Symmetry constraints			Numerical values			Symmetry constraints			Numerical values
	x	y	z	x	y	z	x	y	z	x	y	z
Dy1	0	M_ycos1	M_zcos1	0.0	2.67	7.33	0	0	0	0.0	0.0	0.0

Atom	x	y	z
1	0.00000	0.00000	0.00000
(0,0,0,1/2)' + set click here to show and hide
2	0.50000	0.50000	0.50000

Atom	Magnetic moment Fourier Cos coeffs	Magnetic moment Fourier Sin coeffs
Symmetry constraints	Numerical values	Symmetry constraints	Numerical values
x	y	z	x	y	z	x	y	z	x	y	z
1	0	M_ycos1	M_zcos1	0.0	2.67000	7.33000	0	0	0	0.0	0.0	0.0
(0,0,0,1/2)' + set click here to show and hide
2	0	M_ycos1	M_zcos1	0.0	2.67000	7.33000	0	0	0	0.0	0.0	0.0

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

Active Irreps:

label	dim. small irrep	dim. full irrep	direction	action	number of modes
mLD4	1	2	general	primary	1
mLD5	2	4	special	primary	1

Comments:

NPD
Position structure from a determination at 12K
The direction of the Dy moment component on the xy basal plane is undetermined. Here a direction of maximal symmetry has been assumed.
Dy moment angle with the c axis: 20 degrees
Dy moment amplitude: 7.8(1)

Comments (symmetry):

1k incommensurate magnetic structure
Two irreps as primary: two order parameters in the sense of Landau theory are present.

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

DyNi₂Ge₂ (#1.1.117)

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

DyNi2Ge2 (#1.1.117)

DyNi₂Ge₂ (#1.1.117)