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	{ -1 \| 0 }
(0,0,0,1/2)' + set click here to show and hide
3	x1,x2,x3,x4+1/2,-1	{ 1' \| 0 0 0 1/2 }
4	-x1,-x2,-x3,-x4+1/2,-1	{ -1' \| 0 0 0 1/2 }
(1/2,1/2,1/2,0) + set click here to show and hide
5	x1+1/2,x2+1/2,x3+1/2,x4,+1	{ 1 \| 1/2 1/2 1/2 0 }
6	-x1+1/2,-x2+1/2,-x3+1/2,-x4,+1	{ -1 \| 1/2 1/2 1/2 0 }
(1/2,1/2,1/2,1/2)' + set click here to show and hide
7	x1+1/2,x2+1/2,x3+1/2,x4+1/2,-1	{ 1' \| 1/2 1/2 1/2 1/2 }
8	-x1+1/2,-x2+1/2,-x3+1/2,-x4+1/2,-1	{ -1' \| 1/2 1/2 1/2 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,-z,+1	-1
1' + set click here to show and hide
3	x,y,z,-1	1'
4	-x,-y,-z,-1	-1'

Label	Atom type	x	y	z	Multiplicity
Ni1	Ni	0.50000	0.00000	0.75000	4
Ge1	Ge	0.00000	0.00000	0.37700	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
Ho1	M_xcos1	M_ycos1	M_zcos1	0.0	6.66	7.40	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	M_xcos1	M_ycos1	M_zcos1	0.0	6.66000	7.40000	0	0	0	0.0	0.0	0.0
(0,0,0,1/2)' + set click here to show and hide
2	M_xcos1	M_ycos1	M_zcos1	0.0	6.66000	7.40000	0	0	0	0.0	0.0	0.0

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

Atom	x	y	z
1	0.00000	0.00000	0.37700
(0,0,0,1/2)' + set click here to show and hide
2	0.00000	0.00000	0.62300
(1/2,1/2,1/2,0) + set click here to show and hide
3	0.50000	0.50000	0.87700
(1/2,1/2,1/2,1/2)' + set click here to show and hide
4	0.50000	0.50000	0.12300

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 #79938

Parent space group (paramagnetic phase): I4/mmm (#139)
Propagation vector: k1 (0.014, 0.073, 0.785)

Transition Temperature: 4.1 K
Experiment Temperature: 1.46 K

Lattice parameters of the basic unit cell:
4.02900 4.02900 9.78000 90.00000 90.00000 90.00000
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

Magnetic Superspace Group: I-11'(a,b,g)0s
    [View symmetry operations]

Magnetic Point Group: -11' (2.2.4)
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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

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     [Show all the atoms]

Average atomic positions of symmetry independent atoms

Label	Atom type	x	y	z	Multiplicity
Ho1	Ho	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
Ho1	M_xcos1	M_ycos1	M_zcos1	0.0	6.66	7.40	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	M_xcos1	M_ycos1	M_zcos1	0.0	6.66000	7.40000	0	0	0	0.0	0.0	0.0
(0,0,0,1/2)' + set click here to show and hide
2	M_xcos1	M_ycos1	M_zcos1	0.0	6.66000	7.40000	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
mGP1	1	16	general	primary	3

Comments:

NPD
Position structure from a determination at 10K
The direction of the Ho moment component on the xy basal plane is undetermined. Here a crystallographic direction has been chosen arbitrarily.
Ho moment angle with the c axis: 42 degrees
Dy moment amplitude: 9.96(5)

Comments (symmetry):

1k incommensurate magnetic structure
k-maximal magnetic symmetry
General k-vector as propagation vector

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

HoNi₂Ge₂ (#1.1.119)

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

HoNi2Ge2 (#1.1.119)

HoNi₂Ge₂ (#1.1.119)