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	{ 2₁₀₀ \| 0 }
3	-x1,x2,-x3,-x4+1/2,+1	{ 2₀₁₀ \| 0 0 0 1/2 }
4	-x1,-x2,x3,x4+1/2,+1	{ 2₀₀₁ \| 0 0 0 1/2 }
5	-x2,-x1,-x3,-x4+3/4,+1	{ 2_1-10 \| 0 0 0 3/4 }
6	-x2,x1,x3,x4+1/4,+1	{ 4⁺₀₀₁ \| 0 0 0 1/4 }
7	x2,-x1,x3,x4+3/4,+1	{ 4^-₀₀₁ \| 0 0 0 3/4 }
8	x2,x1,-x3,-x4+1/4,+1	{ 2₁₁₀ \| 0 0 0 1/4 }
(0,0,0,1/2)' + set click here to show and hide
9	x1,x2,x3,x4+1/2,-1	{ 1' \| 0 0 0 1/2 }
10	x1,-x2,-x3,-x4+1/2,-1	{ 2'₁₀₀ \| 0 0 0 1/2 }
11	-x1,x2,-x3,-x4,-1	{ 2'₀₁₀ \| 0 }
12	-x1,-x2,x3,x4,-1	{ 2'₀₀₁ \| 0 }
13	-x2,-x1,-x3,-x4+1/4,-1	{ 2'_1-10 \| 0 0 0 1/4 }
14	-x2,x1,x3,x4+3/4,-1	{ 4'⁺₀₀₁ \| 0 0 0 3/4 }
15	x2,-x1,x3,x4+1/4,-1	{ 4'^-₀₀₁ \| 0 0 0 1/4 }
16	x2,x1,-x3,-x4+3/4,-1	{ 2'₁₁₀ \| 0 0 0 3/4 }
(1/2,1/2,1/2,0) + set click here to show and hide
17	x1+1/2,x2+1/2,x3+1/2,x4,+1	{ 1 \| 1/2 1/2 1/2 0 }
18	x1+1/2,-x2+1/2,-x3+1/2,-x4,+1	{ 2₁₀₀ \| 1/2 1/2 1/2 0 }
19	-x1+1/2,x2+1/2,-x3+1/2,-x4+1/2,+1	{ 2₀₁₀ \| 1/2 1/2 1/2 1/2 }
20	-x1+1/2,-x2+1/2,x3+1/2,x4+1/2,+1	{ 2₀₀₁ \| 1/2 1/2 1/2 1/2 }
21	-x2+1/2,-x1+1/2,-x3+1/2,-x4+3/4,+1	{ 2_1-10 \| 1/2 1/2 1/2 3/4 }
22	-x2+1/2,x1+1/2,x3+1/2,x4+1/4,+1	{ 4⁺₀₀₁ \| 1/2 1/2 1/2 1/4 }
23	x2+1/2,-x1+1/2,x3+1/2,x4+3/4,+1	{ 4^-₀₀₁ \| 1/2 1/2 1/2 3/4 }
24	x2+1/2,x1+1/2,-x3+1/2,-x4+1/4,+1	{ 2₁₁₀ \| 1/2 1/2 1/2 1/4 }
(1/2,1/2,1/2,1/2)' + set click here to show and hide
25	x1+1/2,x2+1/2,x3+1/2,x4+1/2,-1	{ 1' \| 1/2 1/2 1/2 1/2 }
26	x1+1/2,-x2+1/2,-x3+1/2,-x4+1/2,-1	{ 2'₁₀₀ \| 1/2 1/2 1/2 1/2 }
27	-x1+1/2,x2+1/2,-x3+1/2,-x4,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 0 }
28	-x1+1/2,-x2+1/2,x3+1/2,x4,-1	{ 2'₀₀₁ \| 1/2 1/2 1/2 0 }
29	-x2+1/2,-x1+1/2,-x3+1/2,-x4+1/4,-1	{ 2'_1-10 \| 1/2 1/2 1/2 1/4 }
30	-x2+1/2,x1+1/2,x3+1/2,x4+3/4,-1	{ 4'⁺₀₀₁ \| 1/2 1/2 1/2 3/4 }
31	x2+1/2,-x1+1/2,x3+1/2,x4+1/4,-1	{ 4'^-₀₀₁ \| 1/2 1/2 1/2 1/4 }
32	x2+1/2,x1+1/2,-x3+1/2,-x4+3/4,-1	{ 2'₁₁₀ \| 1/2 1/2 1/2 3/4 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,-z,+1	2₁₀₀
3	-x,y,-z,+1	2₀₁₀
4	-x,-y,z,+1	2₀₀₁
5	-y,-x,-z,+1	2_1-10
6	-y,x,z,+1	4⁺₀₀₁
7	y,-x,z,+1	4^-₀₀₁
8	y,x,-z,+1	2₁₁₀
1' + set click here to show and hide
9	x,y,z,-1	1'
10	x,-y,-z,-1	2'₁₀₀
11	-x,y,-z,-1	2'₀₁₀
12	-x,-y,z,-1	2'₀₀₁
13	-y,-x,-z,-1	2'_1-10
14	-y,x,z,-1	4'⁺₀₀₁
15	y,-x,z,-1	4'^-₀₀₁
16	y,x,-z,-1	2'₁₁₀

Label	Atom type	x	y	z	Multiplicity
Ni1	Ni	0.00000	0.50000	0.25000	4
Si1	Si	0.00000	0.00000	0.37500	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
Yb1	M_xc1	0	0	1.8	0.0	0.0	0	M_xc1	0	0.0	1.8	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	0	0	1.80000	0.0	0.0	0	M_xcos1	0	0.0	1.80000	0.0
(0,0,0,1/2)' + set click here to show and hide
2	M_xcos1	0	0	1.80000	0.0	0.0	0	M_xcos1	0	0.0	1.80000	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	0.37500
(0,0,0,1/2)' + set click here to show and hide
2	0.00000	0.00000	0.62500
(1/2,1/2,1/2,0) + set click here to show and hide
3	0.50000	0.50000	0.87500
(1/2,1/2,1/2,1/2)' + set click here to show and hide
4	0.50000	0.50000	0.12500

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 #79940

Parent space group (paramagnetic phase): I4/mmm (#139)
Propagation vector: k1 (0.00000, 0.00000, 0.8025)

Transition Temperature: 2.3 K
Experiment Temperature: 1.43 K

Lattice parameters of the basic unit cell:
3.91320 3.91320 9.51800 90.00000 90.00000 90.00000
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

Magnetic Superspace Group: I4221'(0,0,g)q00s
    [View symmetry operations]

Magnetic Point Group: 4221' (12.2.41)
    [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
Yb1	Y	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
Yb1	M_xc1	0	0	1.8	0.0	0.0	0	M_xc1	0	0.0	1.8	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	0	0	1.80000	0.0	0.0	0	M_xcos1	0	0.0	1.80000	0.0
(0,0,0,1/2)' + set click here to show and hide
2	M_xcos1	0	0	1.80000	0.0	0.0	0	M_xcos1	0	0.0	1.80000	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
mLD5	2	4	special	primary	1

Comments:

NPD
Position structure from a determination at 4K
Spiral structure

Comments (symmetry):

1k incommensurate structure
k-maximal magnetic symmetry
4-dim irrep along a special direction as primary

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

YbNi₂Si₂ (#1.1.112)

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

YbNi2Si2 (#1.1.112)

YbNi₂Si₂ (#1.1.112)