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	{ 2₀₀₁ \| 0 }
3	x2,x1,-x3,x4+1/2,+1	{ 2₁₁₀ \| 0 0 0 1/2 }
4	-x2,-x1,-x3,-x4+1/2,+1	{ 2_1-10 \| 0 0 0 1/2 }
5	-x1,-x2,-x3,-x4,+1	{ -1 \| 0 }
6	x1,x2,-x3,x4,+1	{ m₀₀₁ \| 0 }
7	-x2,-x1,x3,-x4+1/2,+1	{ m₁₁₀ \| 0 0 0 1/2 }
8	x2,x1,x3,x4+1/2,+1	{ m_1-10 \| 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	{ 2₀₀₁ \| 1/2 1/2 1/2 0 }
11	x2+1/2,x1+1/2,-x3+1/2,x4+1/2,+1	{ 2₁₁₀ \| 1/2 1/2 1/2 1/2 }
12	-x2+1/2,-x1+1/2,-x3+1/2,-x4+1/2,+1	{ 2_1-10 \| 1/2 1/2 1/2 1/2 }
13	-x1+1/2,-x2+1/2,-x3+1/2,-x4,+1	{ -1 \| 1/2 1/2 1/2 0 }
14	x1+1/2,x2+1/2,-x3+1/2,x4,+1	{ m₀₀₁ \| 1/2 1/2 1/2 0 }
15	-x2+1/2,-x1+1/2,x3+1/2,-x4+1/2,+1	{ m₁₁₀ \| 1/2 1/2 1/2 1/2 }
16	x2+1/2,x1+1/2,x3+1/2,x4+1/2,+1	{ m_1-10 \| 1/2 1/2 1/2 1/2 }
(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,-1	{ 2'₀₀₁ \| 0 0 0 1/2 }
19	x2,x1,-x3,x4,-1	{ 2'₁₁₀ \| 0 }
20	-x2,-x1,-x3,-x4,-1	{ 2'_1-10 \| 0 }
21	-x1,-x2,-x3,-x4+1/2,-1	{ -1' \| 0 0 0 1/2 }
22	x1,x2,-x3,x4+1/2,-1	{ m'₀₀₁ \| 0 0 0 1/2 }
23	-x2,-x1,x3,-x4,-1	{ m'₁₁₀ \| 0 }
24	x2,x1,x3,x4,-1	{ m'_1-10 \| 0 }
(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	{ 2'₀₀₁ \| 1/2 1/2 1/2 1/2 }
27	x2+1/2,x1+1/2,-x3+1/2,x4,-1	{ 2'₁₁₀ \| 1/2 1/2 1/2 0 }
28	-x2+1/2,-x1+1/2,-x3+1/2,-x4,-1	{ 2'_1-10 \| 1/2 1/2 1/2 0 }
29	-x1+1/2,-x2+1/2,-x3+1/2,-x4+1/2,-1	{ -1' \| 1/2 1/2 1/2 1/2 }
30	x1+1/2,x2+1/2,-x3+1/2,x4+1/2,-1	{ m'₀₀₁ \| 1/2 1/2 1/2 1/2 }
31	-x2+1/2,-x1+1/2,x3+1/2,-x4,-1	{ m'₁₁₀ \| 1/2 1/2 1/2 0 }
32	x2+1/2,x1+1/2,x3+1/2,x4,-1	{ m'_1-10 \| 1/2 1/2 1/2 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,z,+1	2₀₀₁
3	y,x,-z,+1	2₁₁₀
4	-y,-x,-z,+1	2_1-10
5	-x,-y,-z,+1	-1
6	x,y,-z,+1	m₀₀₁
7	-y,-x,z,+1	m₁₁₀
8	y,x,z,+1	m_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	2'₁₁₀
12	-y,-x,-z,-1	2'_1-10
13	-x,-y,-z,-1	-1'
14	x,y,-z,-1	m'₀₀₁
15	-y,-x,z,-1	m'₁₁₀
16	y,x,z,-1	m'_1-10

Label	Atom type	x	y	z	Multiplicity
Cu1	Cu	0	0.5	0.25	4
Ge1	Ge	0	0	0.3801(6)	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
Tm1	0	0	M_zcos1	0.0	0.0	5.0(1)	0	0	0	0.0	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	0	M_zcos1	0.0	0.0	5.00000	0	0	0	0.0	0.0	0.0
(1/2,1/2,1/2,0) + set click here to show and hide
2	0	0	M_zcos1	0.0	0.0	5.00000	0	0	0	0.0	0.0	0.0

Atom	x	y	z
1	0.00000	0.50000	0.25000
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
4	0.50000	0.00000	0.25000

Atom	x	y	z
1	0.00000	0.00000	0.38010
2	0.00000	0.00000	0.61990
(1/2,1/2,1/2,0) + set click here to show and hide
3	0.50000	0.50000	0.88010
4	0.50000	0.50000	0.11990

Reference: B. Penc, S. Gerischer, A. Hoser and A. Szytula, Journal of Magnetism and Magnetic Materials (2012) 324 657-659.
DOI: 10.1016/j.jmmm.2011.09.033
Atomic positions from: ICSD #183546

Parent space group (paramagnetic phase): I4/mmm (#139)
Propagation vector: k1 (0.117000, 0.117000, 0.000000)

Transition Temperature: 2.5 K
Experiment Temperature: 0.47 K

Lattice parameters of the basic unit cell:
3.9853(12) 3.9853(12) 10.339(4) 90 90 90
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

Magnetic Superspace Group: Fmmm1'(α00)0s0s
    [View symmetry operations]

Magnetic Point Group: mmm1' (8.2.25)
    [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
Tm1	Tm	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
Tm1	0	0	M_zcos1	0.0	0.0	5.0(1)	0	0	0	0.0	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	0	M_zcos1	0.0	0.0	5.00000	0	0	0	0.0	0.0	0.0
(1/2,1/2,1/2,0) + set click here to show and hide
2	0	0	M_zcos1	0.0	0.0	5.00000	0	0	0	0.0	0.0	0.0

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

Comments:

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry (3 possible)
1-dim irrep active
magnetic superspace group is used non-standard setting keeping the parent one. Transformation to standard setting: a-b,a+b,c;0,0,0

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

TmCu₂Ge₂ (#1.1.23)

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

TmCu2Ge2 (#1.1.23)

TmCu₂Ge₂ (#1.1.23)