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	{ 2₀₁₀ \| 0 }
3	-x1,-x2,-x3,-x4,+1	{ -1 \| 0 }
4	x1,-x2,x3,x4,+1	{ m₀₁₀ \| 0 }
(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,-1	{ 2'₀₁₀ \| 0 0 0 1/2 }
7	-x1,-x2,-x3,-x4+1/2,-1	{ -1' \| 0 0 0 1/2 }
8	x1,-x2,x3,x4+1/2,-1	{ m'₀₁₀ \| 0 0 0 1/2 }
(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	{ 2₀₁₀ \| 1/2 1/2 1/2 0 }
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	{ m₀₁₀ \| 1/2 1/2 1/2 0 }
(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,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 1/2 }
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+1/2,-1	{ m'₀₁₀ \| 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	2₀₁₀
3	-x,-y,-z,+1	-1
4	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,y,-z,-1	2'₀₁₀
7	-x,-y,-z,-1	-1'
8	x,-y,z,-1	m'₀₁₀

Label	Atom type	x	y	z	Multiplicity
Ni1_1	Ni	0.50000	0.00000	0.75000	4
Si1_1	Si	0.00000	0.00000	0.36600	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
Gd1_1	0	M_yc1	0	0.0	8.9(4)	0.0	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	0	0.0	8.90000	0.0	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	0	0.0	8.90000	0.0	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	0.36600
(0,0,0,1/2)' + set click here to show and hide
2	0.00000	0.00000	0.63400
(1/2,1/2,1/2,0) + set click here to show and hide
3	0.50000	0.50000	0.86600
(1/2,1/2,1/2,1/2)' + set click here to show and hide
4	0.50000	0.50000	0.13400

Reference: J. M. Barandiaran, D. Gignoux, D. Schmitt, J. C. Gomez-Sal, J. Rodriguez Fernandez, P. Chieux, J. Schweizer, Journal of Magnetism and Magnetic Materials (1988) 73 233 - 239
DOI: 10.1016/0304-8853(88)90299-5
Atomic positions from: ICSD #53619

Parent space group (paramagnetic phase): I4/mmm (#139)
Propagation vector: k1 (1.20700, 0.00000, 0.903)

Transition Temperature: 14.5 K
Experiment Temperature: 4.2 K

Lattice parameters of the basic unit cell:
3.97300 3.97300 9.58300 90.00000 90.00000 90.00000
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

Magnetic Superspace Group: I2/m1'(a,0,g)00s
    [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
Gd1_1	Gd	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
Gd1_1	0	M_yc1	0	0.0	8.9(4)	0.0	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	0	0.0	8.90000	0.0	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	0	0.0	8.90000	0.0	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
mB1	1	8	general	primary	1

Comments:

NPD
Position structure from a determination at 20K
The reported propagation vector is (0.207,0,0.903), but it said that it appears as satellites of bcc forbidden reflections. This means that the actual propagation vector is (1.207,0,0.903) or equivalent.

Comments (symmetry):

1k incommensurate magnetic structure
k-maximal magnetic symmetry
2-dim small irrep along a general direction a primary

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

GdNi₂Si₂ (#1.1.126)

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

GdNi2Si2 (#1.1.126)

GdNi₂Si₂ (#1.1.126)