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	-x2,-x1,-x3,-x4+1/2,+1	{ 2_1-10 \| 0 0 0 1/2 }
3	x2,x1,-x3,-x3+x4+1/2,+1	{ 2₁₁₀ \| 0 0 0 1/2 }
4	-x1,-x2,x3,x3-x4,+1	{ 2₀₀₁ \| 0 }
5	-x1,-x2,-x3,-x4,+1	{ -1 \| 0 }
6	x2,x1,x3,x4+1/2,+1	{ m_1-10 \| 0 0 0 1/2 }
7	-x2,-x1,x3,x3-x4+1/2,+1	{ m₁₁₀ \| 0 0 0 1/2 }
8	x1,x2,-x3,-x3+x4,+1	{ m₀₀₁ \| 0 }
(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	-x2,-x1,-x3,-x4,-1	{ 2'_1-10 \| 0 }
11	x2,x1,-x3,-x3+x4,-1	{ 2'₁₁₀ \| 0 }
12	-x1,-x2,x3,x3-x4+1/2,-1	{ 2'₀₀₁ \| 0 0 0 1/2 }
13	-x1,-x2,-x3,-x4+1/2,-1	{ -1' \| 0 0 0 1/2 }
14	x2,x1,x3,x4,-1	{ m'_1-10 \| 0 }
15	-x2,-x1,x3,x3-x4,-1	{ m'₁₁₀ \| 0 }
16	x1,x2,-x3,-x3+x4+1/2,-1	{ m'₀₀₁ \| 0 0 0 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-y,-x,-z,+1	2_1-10
3	y,x,-z,+1	2₁₁₀
4	-x,-y,z,+1	2₀₀₁
5	-x,-y,-z,+1	-1
6	y,x,z,+1	m_1-10
7	-y,-x,z,+1	m₁₁₀
8	x,y,-z,+1	m₀₀₁
1' + set click here to show and hide
9	x,y,z,-1	1'
10	-y,-x,-z,-1	2'_1-10
11	y,x,-z,-1	2'₁₁₀
12	-x,-y,z,-1	2'₀₀₁
13	-x,-y,-z,-1	-1'
14	y,x,z,-1	m'_1-10
15	-y,-x,z,-1	m'₁₁₀
16	x,y,-z,-1	m'₀₀₁

Label	Atom type	x	y	z	Multiplicity
Co1_1	Co	0.00000	0.00000	0.50000	1
In1_1	In	0.50000	0.50000	0.00000	1
In2_1	In	0.50000	0.00000	0.68970	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
Ce1_1	0	0	M_zcos1	0.0	0.0	0.15(5)	0	0	0	0.0	0.0	0.0

Atom	x	y	z
1	0.00000	0.00000	0.00000

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	0.15000	0	0	0	0.0	0.0	0.0

Atom	x	y	z
1	0.00000	0.00000	0.50000

Atom	x	y	z
1	0.50000	0.50000	0.00000

Atom	x	y	z
1	0.50000	0.00000	0.68970
2	0.00000	0.50000	0.31030
3	0.50000	0.00000	0.31030
4	0.00000	0.50000	0.68970

Reference: M. Kenzelmann, Th. Strassle, C. Niedermayer, M. Sigrist, B. Padmanabhan, M. Zolliker, A. D. Bianchi, R. Movshovich, E. D. Bauer, J. L. Sarrao, J. D. Thompson, Science (2008) 321 1652 - 1654
DOI: 10.1126/science.11618
Atomic positions from: ICSD #102108

Parent space group (paramagnetic phase): P4/mmm (#123)
Propagation vector: k1 (0.44000, 0.44000, 0.50000)

Transition Temperature: 0.3 K
Experiment Temperature: 0.06 K

Lattice parameters of the basic unit cell:
4.60100 4.60100 7.54000 90.00000 90.00000 90.00000
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

Magnetic Superspace Group: Cmmm.1'(a,a,1/2)s00s
    [View symmetry operations]

Magnetic Point Group: mmm.1' (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

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     [Show all the atoms]

Average atomic positions of symmetry independent atoms

Label	Atom type	x	y	z	Multiplicity
Ce1_1	Ce	0.00000	0.00000	0.00000	1

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
Ce1_1	0	0	M_zcos1	0.0	0.0	0.15(5)	0	0	0	0.0	0.0	0.0

Atom	x	y	z
1	0.00000	0.00000	0.00000

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	0.15000	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
mS2	1	4	general	primary	1

Comments:

NSD
Position structure is not given. Here a model at room temperature retrieved from the ICSD is used
Phase observed under a magnetic field of 11T along the (-1,1,0) direction.
The parent tetragonal unit cell is maintained here as basic unit cell for the description. The symmetry operations are oblique with respect to this unit cell on the basal plane with respect to this unit cell

Comments (symmetry):

1k incommensurate magnetic structure
k-maximal symmetry
4-dim irrep with two pairs of k,-k vectors. Only one pair is involved (2-dim subspace).

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

CeCoIn₅ (#1.1.142)

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

CeCoIn5 (#1.1.142)

CeCoIn₅ (#1.1.142)