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

Label	Atom type	x	y	z	Multiplicity
Au1	Au	0	0	0.35	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
Mn1	0	-M_xsin1	0	0.0	-3.5	0.0	M_xsin1	0	0	3.5	0.0	0.0

Atom	x	y	z
1	0.00000	0.00000	0.00000
(1/2,1/2,1/2,0) + 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_xsin1	0	0.0	-3.50000	0.0	M_xsin1	0	0	3.50000	0.0	0.0
(1/2,1/2,1/2,0) + set click here to show and hide
2	0	-M_xsin1	0	0.0	-3.50000	0.0	M_xsin1	0	0	3.50000	0.0	0.0

Atom	x	y	z
1	0.00000	0.00000	0.35000
2	0.00000	0.00000	0.65000
(1/2,1/2,1/2,0) + set click here to show and hide
3	0.50000	0.50000	0.85000
4	0.50000	0.50000	0.15000

Reference: A. Herpin and P. Meriel, Journal de Physique et le Radium (1961) 22 337-348.
DOI: 10.1051/jphysrad:01961002206033700
Atomic positions from: ICSD #58549

Parent space group (paramagnetic phase): I4/mmm (#139)
Propagation vector: k1 (0.000000, 0.000000, 0.283000)

Transition Temperature: 363 K
Experiment Temperature: 293 K

Lattice parameters of the basic unit cell:
3.363 3.363 8.592 90 90 90
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

Magnetic Superspace Group: I4221'(00γ)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
Mn1	Mn	0	0	0	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
Mn1	0	-M_xsin1	0	0.0	-3.5	0.0	M_xsin1	0	0	3.5	0.0	0.0

Atom	x	y	z
1	0.00000	0.00000	0.00000
(1/2,1/2,1/2,0) + 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_xsin1	0	0.0	-3.50000	0.0	M_xsin1	0	0	3.50000	0.0	0.0
(1/2,1/2,1/2,0) + set click here to show and hide
2	0	-M_xsin1	0	0.0	-3.50000	0.0	M_xsin1	0	0	3.50000	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
mLD5	2	4	special	primary	1

Comments:

NSD
First helical magnetic structure reported.
see also Bussmann et al., Phys. Rev. B 90, 144421 (2014)

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry (4 possible)
Active irrep 4-dim. 7 different possible superspace groups for the same irrep.

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

MnAu₂ (#1.1.13)

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

MnAu2 (#1.1.13)

MnAu₂ (#1.1.13)