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+1/2,2x3-x4,+1	{ 2₀₀₁ \| 0 0 1/2 0 }
3	-x1,x2,-x3+1/2,-2x3+x4+1/2,+1	{ 2₀₁₀ \| 0 0 1/2 1/2 }
4	x1,-x2,-x3,-x4+1/2,+1	{ 2₁₀₀ \| 0 0 0 1/2 }
5	-x1,-x2,-x3,-x4,+1	{ -1 \| 0 }
6	x1,x2,-x3+1/2,-2x3+x4,+1	{ m₀₀₁ \| 0 0 1/2 0 }
7	x1,-x2,x3+1/2,2x3-x4+1/2,+1	{ m₀₁₀ \| 0 0 1/2 1/2 }
8	-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
9	x1+1/2,x2+1/2,x3,x4,+1	{ 1 \| 1/2 1/2 0 0 }
10	-x1+1/2,-x2+1/2,x3+1/2,2x3-x4,+1	{ 2₀₀₁ \| 1/2 1/2 1/2 0 }
11	-x1+1/2,x2+1/2,-x3+1/2,-2x3+x4+1/2,+1	{ 2₀₁₀ \| 1/2 1/2 1/2 1/2 }
12	x1+1/2,-x2+1/2,-x3,-x4+1/2,+1	{ 2₁₀₀ \| 1/2 1/2 0 1/2 }
13	-x1+1/2,-x2+1/2,-x3,-x4,+1	{ -1 \| 1/2 1/2 0 0 }
14	x1+1/2,x2+1/2,-x3+1/2,-2x3+x4,+1	{ m₀₀₁ \| 1/2 1/2 1/2 0 }
15	x1+1/2,-x2+1/2,x3+1/2,2x3-x4+1/2,+1	{ m₀₁₀ \| 1/2 1/2 1/2 1/2 }
16	-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
17	x1,x2,x3,x4+1/2,-1	{ 1' \| 0 0 0 1/2 }
18	-x1,-x2,x3+1/2,2x3-x4+1/2,-1	{ 2'₀₀₁ \| 0 0 1/2 1/2 }
19	-x1,x2,-x3+1/2,-2x3+x4,-1	{ 2'₀₁₀ \| 0 0 1/2 0 }
20	x1,-x2,-x3,-x4,-1	{ 2'₁₀₀ \| 0 }
21	-x1,-x2,-x3,-x4+1/2,-1	{ -1' \| 0 0 0 1/2 }
22	x1,x2,-x3+1/2,-2x3+x4+1/2,-1	{ m'₀₀₁ \| 0 0 1/2 1/2 }
23	x1,-x2,x3+1/2,2x3-x4,-1	{ m'₀₁₀ \| 0 0 1/2 0 }
24	-x1,x2,x3,x4,-1	{ m'₁₀₀ \| 0 }
(1/2,1/2,0,1/2)' + set click here to show and hide
25	x1+1/2,x2+1/2,x3,x4+1/2,-1	{ 1' \| 1/2 1/2 0 1/2 }
26	-x1+1/2,-x2+1/2,x3+1/2,2x3-x4+1/2,-1	{ 2'₀₀₁ \| 1/2 1/2 1/2 1/2 }
27	-x1+1/2,x2+1/2,-x3+1/2,-2x3+x4,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 0 }
28	x1+1/2,-x2+1/2,-x3,-x4,-1	{ 2'₁₀₀ \| 1/2 1/2 0 0 }
29	-x1+1/2,-x2+1/2,-x3,-x4+1/2,-1	{ -1' \| 1/2 1/2 0 1/2 }
30	x1+1/2,x2+1/2,-x3+1/2,-2x3+x4+1/2,-1	{ m'₀₀₁ \| 1/2 1/2 1/2 1/2 }
31	x1+1/2,-x2+1/2,x3+1/2,2x3-x4,-1	{ m'₀₁₀ \| 1/2 1/2 1/2 0 }
32	-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	2₀₀₁
3	-x,y,-z,+1	2₀₁₀
4	x,-y,-z,+1	2₁₀₀
5	-x,-y,-z,+1	-1
6	x,y,-z,+1	m₀₀₁
7	x,-y,z,+1	m₀₁₀
8	-x,y,z,+1	m₁₀₀
1' + set click here to show and hide
9	x,y,z,-1	1'
10	-x,-y,z,-1	2'₀₀₁
11	-x,y,-z,-1	2'₀₁₀
12	x,-y,-z,-1	2'₁₀₀
13	-x,-y,-z,-1	-1'
14	x,y,-z,-1	m'₀₀₁
15	x,-y,z,-1	m'₀₁₀
16	-x,y,z,-1	m'₁₀₀

Label	Atom type	x	y	z	Multiplicity
Co1	Co	0.3288	0	0	8
Co2	Co	0	0	0	4
Al1	Al	0	0.1249	0.25	4
Al2	Al	0.1079	0.4459	0.25	8
Al3	Al	0	0.3322	0.5428	8
Al4	Al	0.1686	0.333	0.0717	16

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	0	-0.5(1)	1.8(1)	0.0	M_xsinin1	M_ysinin1	0	3.2(2)	0.6(1)	0.0

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

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	0	-0.50000	1.80000	0.0	M_xcos1+M_ysin1	M_ycos1+M_ysin1	0	3.20000	0.60000	0.0
2	M_xcos1+M_ysin1	M_ycos1+M_ysin1	0	-0.50000	1.80000	0.0	-M_xcos1-M_ysin1	-M_ycos1-M_ysin1	0	-3.20000	-0.60000	0.0
3	-M_xcos1-M_ysin1	M_ycos1+M_ysin1	0	0.50000	1.80000	0.0	-M_xcos1-M_ysin1	M_ycos1+M_ysin1	0	-3.20000	0.60000	0.0
4	-M_xcos1-M_ysin1	M_ycos1+M_ysin1	0	0.50000	1.80000	0.0	M_xcos1+M_ysin1	-M_ycos1-M_ysin1	0	3.20000	-0.60000	0.0
(1/2,1/2,0,0) + set click here to show and hide
5	M_xcos1+M_ysin1	M_ycos1+M_ysin1	0	-0.50000	1.80000	0.0	M_xcos1+M_ysin1	M_ycos1+M_ysin1	0	3.20000	0.60000	0.0
6	M_xcos1+M_ysin1	M_ycos1+M_ysin1	0	-0.50000	1.80000	0.0	-M_xcos1-M_ysin1	-M_ycos1-M_ysin1	0	-3.20000	-0.60000	0.0
7	-M_xcos1-M_ysin1	M_ycos1+M_ysin1	0	0.50000	1.80000	0.0	-M_xcos1-M_ysin1	M_ycos1+M_ysin1	0	-3.20000	0.60000	0.0
8	-M_xcos1-M_ysin1	M_ycos1+M_ysin1	0	0.50000	1.80000	0.0	M_xcos1+M_ysin1	-M_ycos1-M_ysin1	0	3.20000	-0.60000	0.0

Atom	x	y	z
1	0.32880	0.00000	0.00000
2	0.67120	0.00000	0.50000
3	0.67120	0.00000	0.00000
4	0.32880	0.00000	0.50000
(1/2,1/2,0,0) + set click here to show and hide
5	0.82880	0.50000	0.00000
6	0.17120	0.50000	0.50000
7	0.17120	0.50000	0.00000
8	0.82880	0.50000	0.50000

Atom	x	y	z
1	0.00000	0.00000	0.00000
2	0.00000	0.00000	0.50000
(1/2,1/2,0,0) + set click here to show and hide
3	0.50000	0.50000	0.00000
4	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	0.89210	0.55410	0.75000
3	0.89210	0.44590	0.25000
4	0.10790	0.55410	0.75000
(1/2,1/2,0,0) + set click here to show and hide
5	0.60790	0.94590	0.25000
6	0.39210	0.05410	0.75000
7	0.39210	0.94590	0.25000
8	0.60790	0.05410	0.75000

Atom	x	y	z
1	0.00000	0.33220	0.54280
2	0.00000	0.66780	0.04280
3	0.00000	0.33220	0.95720
4	0.00000	0.66780	0.45720
(1/2,1/2,0,0) + set click here to show and hide
5	0.50000	0.83220	0.54280
6	0.50000	0.16780	0.04280
7	0.50000	0.83220	0.95720
8	0.50000	0.16780	0.45720

Atom	x	y	z
1	0.16860	0.33300	0.07170
2	0.83140	0.66700	0.57170
3	0.83140	0.33300	0.42830
4	0.16860	0.66700	0.92830
5	0.83140	0.66700	0.92830
6	0.16860	0.33300	0.42830
7	0.16860	0.66700	0.57170
8	0.83140	0.33300	0.07170
(1/2,1/2,0,0) + set click here to show and hide
9	0.66860	0.83300	0.07170
10	0.33140	0.16700	0.57170
11	0.33140	0.83300	0.42830
12	0.66860	0.16700	0.92830
13	0.33140	0.16700	0.92830
14	0.66860	0.83300	0.42830
15	0.66860	0.16700	0.57170
16	0.33140	0.83300	0.07170

Reference: D.I. Gorbunov, M.S. Henriques, N. Qureshi, B. Ouladdiaf, C.S. Meja, J. Gronemann, A.V. Andreev, V. Petricek, E.L. Green and J. Wosnitza, 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, 0.130000, 1.000000)

Transition Temperature: 6.2 K
Experiment Temperature: 5.8 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: Cmcm.1'(0β1)s0ss
    [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
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	0	-0.5(1)	1.8(1)	0.0	M_xsinin1	M_ysinin1	0	3.2(2)	0.6(1)	0.0

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

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	0	-0.50000	1.80000	0.0	M_xcos1+M_ysin1	M_ycos1+M_ysin1	0	3.20000	0.60000	0.0
2	M_xcos1+M_ysin1	M_ycos1+M_ysin1	0	-0.50000	1.80000	0.0	-M_xcos1-M_ysin1	-M_ycos1-M_ysin1	0	-3.20000	-0.60000	0.0
3	-M_xcos1-M_ysin1	M_ycos1+M_ysin1	0	0.50000	1.80000	0.0	-M_xcos1-M_ysin1	M_ycos1+M_ysin1	0	-3.20000	0.60000	0.0
4	-M_xcos1-M_ysin1	M_ycos1+M_ysin1	0	0.50000	1.80000	0.0	M_xcos1+M_ysin1	-M_ycos1-M_ysin1	0	3.20000	-0.60000	0.0
(1/2,1/2,0,0) + set click here to show and hide
5	M_xcos1+M_ysin1	M_ycos1+M_ysin1	0	-0.50000	1.80000	0.0	M_xcos1+M_ysin1	M_ycos1+M_ysin1	0	3.20000	0.60000	0.0
6	M_xcos1+M_ysin1	M_ycos1+M_ysin1	0	-0.50000	1.80000	0.0	-M_xcos1-M_ysin1	-M_ycos1-M_ysin1	0	-3.20000	-0.60000	0.0
7	-M_xcos1-M_ysin1	M_ycos1+M_ysin1	0	0.50000	1.80000	0.0	-M_xcos1-M_ysin1	M_ycos1+M_ysin1	0	-3.20000	0.60000	0.0
8	-M_xcos1-M_ysin1	M_ycos1+M_ysin1	0	0.50000	1.80000	0.0	M_xcos1+M_ysin1	-M_ycos1-M_ysin1	0	3.20000	-0.60000	0.0

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

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mDT2	1	2	primary	4

Comments:

NSD
Below 5.2 another incommensurate phase is observed (see #1.1.49).
Below 3.7K a commensurate order is reported (see 1.267)

Comments (symmetry):

1k magnetic structure
k-maximal symmetry (4 possible)
1-dim small irrep active

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

Dy₂Co₃Al₉ (#1.1.48)

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

Dy2Co3Al9 (#1.1.48)

Dy₂Co₃Al₉ (#1.1.48)