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	{ 2₁₀₀ \| 0 0 0 1/2 }
3	-x1,-x2,-x3,-x4,+1	{ -1 \| 0 }
4	-x1,x2,x3,x4+1/2,+1	{ m₁₀₀ \| 0 0 0 1/2 }
(1/2,1/2,0,0) + set click here to show and hide
5	x1+1/2,x2+1/2,x3,x4,+1	{ 1 \| 1/2 1/2 0 0 }
6	x1+1/2,-x2+1/2,-x3,-x4+1/2,+1	{ 2₁₀₀ \| 1/2 1/2 0 1/2 }
7	-x1+1/2,-x2+1/2,-x3,-x4,+1	{ -1 \| 1/2 1/2 0 0 }
8	-x1+1/2,x2+1/2,x3,x4+1/2,+1	{ m₁₀₀ \| 1/2 1/2 0 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	{ 2'₁₀₀ \| 0 }
11	-x1,-x2,-x3,-x4+1/2,-1	{ -1' \| 0 0 0 1/2 }
12	-x1,x2,x3,x4,-1	{ m'₁₀₀ \| 0 }
(1/2,1/2,0,1/2)' + set click here to show and hide
13	x1+1/2,x2+1/2,x3,x4+1/2,-1	{ 1' \| 1/2 1/2 0 1/2 }
14	x1+1/2,-x2+1/2,-x3,-x4,-1	{ 2'₁₀₀ \| 1/2 1/2 0 0 }
15	-x1+1/2,-x2+1/2,-x3,-x4+1/2,-1	{ -1' \| 1/2 1/2 0 1/2 }
16	-x1+1/2,x2+1/2,x3,x4,-1	{ m'₁₀₀ \| 1/2 1/2 0 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,-z,+1	2₁₀₀
3	-x,-y,-z,+1	-1
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	2'₁₀₀
7	-x,-y,-z,-1	-1'
8	-x,y,z,-1	m'₁₀₀

Label	Atom type	x	y	z	Multiplicity
Co1	Co	0.3288	0	0	4
Co2	Co	-0.3288	0	0.5	4
Co3	Co	0	0	0	2
Co4	Co	0	0	0.5	2
Al1	Al	0	0.1249	0.25	4
Al2	Al	0.1079	0.4459	0.25	8
Al3	Al	0	0.3322	0.5428	4
Al4	Al	0	-0.3322	1.0428	4
Al5	Al	0.1686	0.333	0.0717	8
Al6	Al	-0.1686	-0.333	0.5717	8

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
Dy1	M_xcosos1	M_ycosos1	M_zcosos1	6.9(5)	1.1(2)	1.5(2)	M_xsinin1	M_ysinin1	M_zsinin1	4.7(4)	0.8(1)	1.1(2)

Atom	x	y	z
1	0.33940	0.33290	0.25000
2	0.33940	0.66710	0.75000
3	0.66060	0.66710	0.75000
4	0.66060	0.33290	0.25000
(1/2,1/2,0,0) + set click here to show and hide
5	0.83940	0.83290	0.25000
6	0.83940	0.16710	0.75000
7	0.16060	0.16710	0.75000
8	0.16060	0.83290	0.25000

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	M_xcos1+M_ysin1	M_ycos1+M_ysin1	M_zcos1+M_ysin1	6.90000	1.10000	1.50000	M_xcos1+M_ysin1	M_ycos1+M_ysin1	M_zcos1+M_ysin1	4.70000	0.80000	1.10000
2	-M_xcos1-M_ysin1	M_ycos1+M_ysin1	M_zcos1+M_ysin1	-6.90000	1.10000	1.50000	M_xcos1+M_ysin1	-M_ycos1-M_ysin1	-M_zcos1-M_ysin1	4.70000	-0.80000	-1.10000
3	M_xcos1+M_ysin1	M_ycos1+M_ysin1	M_zcos1+M_ysin1	6.90000	1.10000	1.50000	-M_xcos1-M_ysin1	-M_ycos1-M_ysin1	-M_zcos1-M_ysin1	-4.70000	-0.80000	-1.10000
4	-M_xcos1-M_ysin1	M_ycos1+M_ysin1	M_zcos1+M_ysin1	-6.90000	1.10000	1.50000	-M_xcos1-M_ysin1	M_ycos1+M_ysin1	M_zcos1+M_ysin1	-4.70000	0.80000	1.10000
(1/2,1/2,0,0) + set click here to show and hide
5	M_xcos1+M_ysin1	M_ycos1+M_ysin1	M_zcos1+M_ysin1	6.90000	1.10000	1.50000	M_xcos1+M_ysin1	M_ycos1+M_ysin1	M_zcos1+M_ysin1	4.70000	0.80000	1.10000
6	-M_xcos1-M_ysin1	M_ycos1+M_ysin1	M_zcos1+M_ysin1	-6.90000	1.10000	1.50000	M_xcos1+M_ysin1	-M_ycos1-M_ysin1	-M_zcos1-M_ysin1	4.70000	-0.80000	-1.10000
7	M_xcos1+M_ysin1	M_ycos1+M_ysin1	M_zcos1+M_ysin1	6.90000	1.10000	1.50000	-M_xcos1-M_ysin1	-M_ycos1-M_ysin1	-M_zcos1-M_ysin1	-4.70000	-0.80000	-1.10000
8	-M_xcos1-M_ysin1	M_ycos1+M_ysin1	M_zcos1+M_ysin1	-6.90000	1.10000	1.50000	-M_xcos1-M_ysin1	M_ycos1+M_ysin1	M_zcos1+M_ysin1	-4.70000	0.80000	1.10000

Atom	x	y	z
1	0.32880	0.00000	0.00000
2	0.67120	0.00000	0.00000
(1/2,1/2,0,0) + set click here to show and hide
3	0.82880	0.50000	0.00000
4	0.17120	0.50000	0.00000

Atom	x	y	z
1	0.67120	0.00000	0.50000
2	0.32880	0.00000	0.50000
(1/2,1/2,0,0) + set click here to show and hide
3	0.17120	0.50000	0.50000
4	0.82880	0.50000	0.50000

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

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

Atom	x	y	z
1	0.00000	0.12490	0.25000
2	0.00000	0.87510	0.75000
(1/2,1/2,0,0) + set click here to show and hide
3	0.50000	0.62490	0.25000
4	0.50000	0.37510	0.75000

Atom	x	y	z
1	0.10790	0.44590	0.25000
2	0.10790	0.55410	0.75000
3	0.89210	0.55410	0.75000
4	0.89210	0.44590	0.25000
(1/2,1/2,0,0) + set click here to show and hide
5	0.60790	0.94590	0.25000
6	0.60790	0.05410	0.75000
7	0.39210	0.05410	0.75000
8	0.39210	0.94590	0.25000

Atom	x	y	z
1	0.00000	0.33220	0.54280
2	0.00000	0.66780	0.45720
(1/2,1/2,0,0) + set click here to show and hide
3	0.50000	0.83220	0.54280
4	0.50000	0.16780	0.45720

Atom	x	y	z
1	0.00000	0.66780	0.04280
2	0.00000	0.33220	0.95720
(1/2,1/2,0,0) + set click here to show and hide
3	0.50000	0.16780	0.04280
4	0.50000	0.83220	0.95720

Atom	x	y	z
1	0.16860	0.33300	0.07170
2	0.16860	0.66700	0.92830
3	0.83140	0.66700	0.92830
4	0.83140	0.33300	0.07170
(1/2,1/2,0,0) + set click here to show and hide
5	0.66860	0.83300	0.07170
6	0.66860	0.16700	0.92830
7	0.33140	0.16700	0.92830
8	0.33140	0.83300	0.07170

Atom	x	y	z
1	0.83140	0.66700	0.57170
2	0.83140	0.33300	0.42830
3	0.16860	0.33300	0.42830
4	0.16860	0.66700	0.57170
(1/2,1/2,0,0) + set click here to show and hide
5	0.33140	0.16700	0.57170
6	0.33140	0.83300	0.42830
7	0.66860	0.83300	0.42830
8	0.66860	0.16700	0.57170

Reference: D. I. Gorbunov, M. S. Henriques, N. Qureshi, B. Ouladdiaf, C. Salazar Mejia, J. Gronemann, A. V. Andreev, V. Petricek, E. L. Green, J. Wosnitza et al., PHYSICAL REVIEW MATERIALS (2018) 2 084406
DOI: 10.1103/PhysRevMaterials.2.084406
Atomic positions from: same reference

Parent space group (paramagnetic phase): (#63)
Propagation vector: k1 (0.000000, 0.060000, 0.260000)

Transition Temperature: 5.2 K
Experiment Temperature: 4.5 K

Lattice parameters of the basic unit cell:
12.7239(6) 7.4586(3) 9.2994(5) 90 90 90
Transformation from parent structure: (a,b,c,;0,0,0)
    [View matrix form]

Magnetic Superspace Group: C2/m.1'(0βγ)0ss
    [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

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     [Show all the atoms]

Average atomic positions of symmetry independent atoms

Label	Atom type	x	y	z	Multiplicity
Dy1	Dy	0.3394	0.3329	0.25	8

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
Dy1	M_xcosos1	M_ycosos1	M_zcosos1	6.9(5)	1.1(2)	1.5(2)	M_xsinin1	M_ysinin1	M_zsinin1	4.7(4)	0.8(1)	1.1(2)

Atom	x	y	z
1	0.33940	0.33290	0.25000
2	0.33940	0.66710	0.75000
3	0.66060	0.66710	0.75000
4	0.66060	0.33290	0.25000
(1/2,1/2,0,0) + set click here to show and hide
5	0.83940	0.83290	0.25000
6	0.83940	0.16710	0.75000
7	0.16060	0.16710	0.75000
8	0.16060	0.83290	0.25000

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	M_xcos1+M_ysin1	M_ycos1+M_ysin1	M_zcos1+M_ysin1	6.90000	1.10000	1.50000	M_xcos1+M_ysin1	M_ycos1+M_ysin1	M_zcos1+M_ysin1	4.70000	0.80000	1.10000
2	-M_xcos1-M_ysin1	M_ycos1+M_ysin1	M_zcos1+M_ysin1	-6.90000	1.10000	1.50000	M_xcos1+M_ysin1	-M_ycos1-M_ysin1	-M_zcos1-M_ysin1	4.70000	-0.80000	-1.10000
3	M_xcos1+M_ysin1	M_ycos1+M_ysin1	M_zcos1+M_ysin1	6.90000	1.10000	1.50000	-M_xcos1-M_ysin1	-M_ycos1-M_ysin1	-M_zcos1-M_ysin1	-4.70000	-0.80000	-1.10000
4	-M_xcos1-M_ysin1	M_ycos1+M_ysin1	M_zcos1+M_ysin1	-6.90000	1.10000	1.50000	-M_xcos1-M_ysin1	M_ycos1+M_ysin1	M_zcos1+M_ysin1	-4.70000	0.80000	1.10000
(1/2,1/2,0,0) + set click here to show and hide
5	M_xcos1+M_ysin1	M_ycos1+M_ysin1	M_zcos1+M_ysin1	6.90000	1.10000	1.50000	M_xcos1+M_ysin1	M_ycos1+M_ysin1	M_zcos1+M_ysin1	4.70000	0.80000	1.10000
6	-M_xcos1-M_ysin1	M_ycos1+M_ysin1	M_zcos1+M_ysin1	-6.90000	1.10000	1.50000	M_xcos1+M_ysin1	-M_ycos1-M_ysin1	-M_zcos1-M_ysin1	4.70000	-0.80000	-1.10000
7	M_xcos1+M_ysin1	M_ycos1+M_ysin1	M_zcos1+M_ysin1	6.90000	1.10000	1.50000	-M_xcos1-M_ysin1	-M_ycos1-M_ysin1	-M_zcos1-M_ysin1	-4.70000	-0.80000	-1.10000
8	-M_xcos1-M_ysin1	M_ycos1+M_ysin1	M_zcos1+M_ysin1	-6.90000	1.10000	1.50000	-M_xcos1-M_ysin1	M_ycos1+M_ysin1	M_zcos1+M_ysin1	-4.70000	0.80000	1.10000

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

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mK2	1	4	primary	6

Comments:

NSD
Between 6.1 and 5.2 another incommensurate phase is reported (see #1.1.48)
Below 3.5K a commensurate phase is observed (see #1.267)

Comments (symmetry):

1k magnetic structure
k-maximal symmetry (2 possible)
1-dim small irrep active

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

Dy₂Co₃Al₉ (#1.1.49)

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

Dy2Co3Al9 (#1.1.49)

Dy₂Co₃Al₉ (#1.1.49)