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	x1,-x2,x3,x4+1/2,+1	{ m₀₁₀ \| 0 0 0 1/2 }
4	-x1,x2,x3,-x4+1/2,+1	{ m₁₀₀ \| 0 0 0 1/2 }
(1/2,1/2,1/2,0) + set click here to show and hide
5	x1+1/2,x2+1/2,x3+1/2,x4,+1	{ 1 \| 1/2 1/2 1/2 0 }
6	-x1+1/2,-x2+1/2,x3+1/2,-x4,+1	{ 2₀₀₁ \| 1/2 1/2 1/2 0 }
7	x1+1/2,-x2+1/2,x3+1/2,x4+1/2,+1	{ m₀₁₀ \| 1/2 1/2 1/2 1/2 }
8	-x1+1/2,x2+1/2,x3+1/2,-x4+1/2,+1	{ m₁₀₀ \| 1/2 1/2 1/2 1/2 }
(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	{ 2'₀₀₁ \| 0 0 0 1/2 }
11	x1,-x2,x3,x4,-1	{ m'₀₁₀ \| 0 }
12	-x1,x2,x3,-x4,-1	{ m'₁₀₀ \| 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	{ 2'₀₀₁ \| 1/2 1/2 1/2 1/2 }
15	x1+1/2,-x2+1/2,x3+1/2,x4,-1	{ m'₀₁₀ \| 1/2 1/2 1/2 0 }
16	-x1+1/2,x2+1/2,x3+1/2,-x4,-1	{ m'₁₀₀ \| 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	x,-y,z,+1	m₀₁₀
4	-x,y,z,+1	m₁₀₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,-y,z,-1	2'₀₀₁
7	x,-y,z,-1	m'₀₁₀
8	-x,y,z,-1	m'₁₀₀

Label	Atom type	x	y	z	Occupancy	Multiplicity
Ce1	Ce	0	0	0.00	1	2

Label	Atom type	x	y	z	Occupancy	Multiplicity
Pt2	Pt	0	0	0.636	0.76	2
Al2	Al	0	0	0.636	0.24	2
Al3	Al	0	0	0.410	0.76	2
Pt3	Pt	0	0	0.376	0.24	2
Al4_1	Al	0	0.5	0.251	1	2
Al4_2	Al	-0.5	0	0.251	1	2

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	0	0	M_zc1	0.0	0.0	0.48(4)	M_ys1	0	0	0.85(3)	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	0.48000	M_ycos1+M_ysin1	0	0	0.85000	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	0.48000	M_ycos1+M_ysin1	0	0	0.85000	0.0	0.0

Atom	x	y	z
1	0.00000	0.00000	0.63600
(1/2,1/2,1/2,0) + set click here to show and hide
2	0.50000	0.50000	0.13600

Atom	x	y	z
1	0.00000	0.00000	0.63600
(1/2,1/2,1/2,0) + set click here to show and hide
2	0.50000	0.50000	0.13600

Atom	x	y	z
1	0.00000	0.00000	0.41000
(1/2,1/2,1/2,0) + set click here to show and hide
2	0.50000	0.50000	0.91000

Atom	x	y	z
1	0.00000	0.00000	0.37600
(1/2,1/2,1/2,0) + set click here to show and hide
2	0.50000	0.50000	0.87600

Atom	x	y	z
1	0.00000	0.50000	0.25100
(1/2,1/2,1/2,0) + set click here to show and hide
2	0.50000	0.00000	0.75100

Atom	x	y	z
1	0.50000	0.00000	0.25100
(1/2,1/2,1/2,0) + set click here to show and hide
2	0.00000	0.50000	0.75100

Reference: M. Stekiel, P. Cermak, C. Franz, W. Simeth, S. Weber, E. Ressouche, W. Schmidt, K. Nemkovski, H. Deng, A. Bauer, C. Pfleiderer, A. Schneidewind, Phys. Rev. Res. (2023) 5 013058
DOI: 10.1103/PhysRevResearch.6.023117
Atomic positions from: same reference

Parent space group (paramagnetic phase): I4mm (#107)
Propagation vector: k1 (0.676000, 0.000000, 0.000000)

Transition Temperature: 3 K
Experiment Temperature: 1.5 K

Lattice parameters of the basic unit cell:
4.31 4.31 10.65 90 90 90
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

Magnetic Superspace Group: Imm2.1'(a00)0s0s
    [View symmetry operations]

Magnetic Point Group: mm2.1' (7.2.21)
    [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
Ce1	Ce	0	0	0.00	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
Ce1	0	0	M_zc1	0.0	0.0	0.48(4)	M_ys1	0	0	0.85(3)	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	0.48000	M_ycos1+M_ysin1	0	0	0.85000	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	0.48000	M_ycos1+M_ysin1	0	0	0.85000	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
mSM2	2	4	general	primary	2

Comments:

Cycloidal magnetic modulation in CePtAl3.
Dataset collected at 1.5 K and zero field, in the multi-domain state.
This structure corresponds to Fig.6a and Fig.6b depictions in original paper.

Comments (symmetry):

1k incommensurate magnetic structure
2-dim small irrep. The irrep has two pairs (k,-k) vectors. Only one is active
The cycloidal modulation is forced by MSSG and the only irrep involved.

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

CePtAl₃ (#1.1.153)

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

CePtAl3 (#1.1.153)

CePtAl₃ (#1.1.153)