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,-x4+1/2,+1	{ 2₁₀₀ \| 0 0 1/2 1/2 }
3	-x1,-x2,-x3,-x4,+1	{ -1 \| 0 }
4	-x1,x2,x3+1/2,x4+1/2,+1	{ m₁₀₀ \| 0 0 1/2 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,-x4+1/2,+1	{ 2₁₀₀ \| 1/2 1/2 0 1/2 }
7	-x1+1/2,-x2+1/2,-x3+1/2,-x4,+1	{ -1 \| 1/2 1/2 1/2 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+1/2,-x4,-1	{ 2'₁₀₀ \| 0 0 1/2 0 }
11	-x1,-x2,-x3,-x4+1/2,-1	{ -1' \| 0 0 0 1/2 }
12	-x1,x2,x3+1/2,x4,-1	{ m'₁₀₀ \| 0 0 1/2 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,-x4,-1	{ 2'₁₀₀ \| 1/2 1/2 0 0 }
15	-x1+1/2,-x2+1/2,-x3+1/2,-x4+1/2,-1	{ -1' \| 1/2 1/2 1/2 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
Ni1	Ni	0.108(3)	0.155(4)	0	8
Ni2	Ni	0.5	0	0.25	4
Si1	Si	0.349(6)	0.161(10)	0	8
Si2	Si	0	0.256(9)	0.25	8
Si3	Si	0	0	0.25	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
Dy1	M_xcos1	M_ycos1	M_zcos1	5.0(1)	0.0	0.0	M_xsin1	M_ysin1	M_zsin1	0.0	0.0	0.0

Atom	x	y	z
1	0.28200	0.38000	0.00000
2	0.28200	0.62000	0.50000
3	0.71800	0.62000	0.00000
4	0.71800	0.38000	0.50000
(1/2,1/2,1/2,0) + set click here to show and hide
5	0.78200	0.88000	0.50000
6	0.78200	0.12000	0.00000
7	0.21800	0.12000	0.50000
8	0.21800	0.88000	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	M_xcos1	M_ycos1	M_zcos1	5.00000	0.0	0.0	M_xsin1	M_ysin1	M_zsin1	0.0	0.0	0.0
2	-M_xcos1	M_ycos1	M_zcos1	-5.00000	0.0	0.0	M_xsin1	-M_ysin1	-M_zsin1	0.0	0.0	0.0
3	M_xcos1	M_ycos1	M_zcos1	5.00000	0.0	0.0	-M_xsin1	-M_ysin1	-M_zsin1	0.0	0.0	0.0
4	-M_xcos1	M_ycos1	M_zcos1	-5.00000	0.0	0.0	-M_xsin1	M_ysin1	M_zsin1	0.0	0.0	0.0
(1/2,1/2,1/2,0) + set click here to show and hide
5	M_xcos1	M_ycos1	M_zcos1	5.00000	0.0	0.0	M_xsin1	M_ysin1	M_zsin1	0.0	0.0	0.0
6	-M_xcos1	M_ycos1	M_zcos1	-5.00000	0.0	0.0	M_xsin1	-M_ysin1	-M_zsin1	0.0	0.0	0.0
7	M_xcos1	M_ycos1	M_zcos1	5.00000	0.0	0.0	-M_xsin1	-M_ysin1	-M_zsin1	0.0	0.0	0.0
8	-M_xcos1	M_ycos1	M_zcos1	-5.00000	0.0	0.0	-M_xsin1	M_ysin1	M_zsin1	0.0	0.0	0.0

Atom	x	y	z
1	0.10800	0.15500	0.00000
2	0.10800	0.84500	0.50000
3	0.89200	0.84500	0.00000
4	0.89200	0.15500	0.50000
(1/2,1/2,1/2,0) + set click here to show and hide
5	0.60800	0.65500	0.50000
6	0.60800	0.34500	0.00000
7	0.39200	0.34500	0.50000
8	0.39200	0.65500	0.00000

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

Atom	x	y	z
1	0.34900	0.16100	0.00000
2	0.34900	0.83900	0.50000
3	0.65100	0.83900	0.00000
4	0.65100	0.16100	0.50000
(1/2,1/2,1/2,0) + set click here to show and hide
5	0.84900	0.66100	0.50000
6	0.84900	0.33900	0.00000
7	0.15100	0.33900	0.50000
8	0.15100	0.66100	0.00000

Atom	x	y	z
1	0.00000	0.25600	0.25000
2	0.00000	0.74400	0.25000
3	0.00000	0.74400	0.75000
4	0.00000	0.25600	0.75000
(1/2,1/2,1/2,0) + set click here to show and hide
5	0.50000	0.75600	0.75000
6	0.50000	0.24400	0.75000
7	0.50000	0.24400	0.25000
8	0.50000	0.75600	0.25000

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

Reference: A. Szytula, M. Kolenda, E. Ressouche and W. Sikora, Journal of Physics: Condensed Matter (1997) 9 6651-6663.
DOI: 10.1088/0953-8984/9/31/017
Atomic positions from: ICSD #84170

Parent space group (paramagnetic phase): Ibam (#72)
Propagation vector: k1 (0.000000, 0.159(8), 0.356(2))

Transition Temperature: 9.5 K
Experiment Temperature: 5.5 K

Lattice parameters of the basic unit cell:
9.527(10) 11.058(15) 5.615(7) 90 90 90
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

Magnetic Superspace Group: I2/c111'(0bg)0ss
    [View symmetry operations]

Magnetic Point Group: 2/m1' (5.3.14)
    [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	0.282(2)	0.380(3)	0	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_xcos1	M_ycos1	M_zcos1	5.0(1)	0.0	0.0	M_xsin1	M_ysin1	M_zsin1	0.0	0.0	0.0

Atom	x	y	z
1	0.28200	0.38000	0.00000
2	0.28200	0.62000	0.50000
3	0.71800	0.62000	0.00000
4	0.71800	0.38000	0.50000
(1/2,1/2,1/2,0) + set click here to show and hide
5	0.78200	0.88000	0.50000
6	0.78200	0.12000	0.00000
7	0.21800	0.12000	0.50000
8	0.21800	0.88000	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	M_xcos1	M_ycos1	M_zcos1	5.00000	0.0	0.0	M_xsin1	M_ysin1	M_zsin1	0.0	0.0	0.0
2	-M_xcos1	M_ycos1	M_zcos1	-5.00000	0.0	0.0	M_xsin1	-M_ysin1	-M_zsin1	0.0	0.0	0.0
3	M_xcos1	M_ycos1	M_zcos1	5.00000	0.0	0.0	-M_xsin1	-M_ysin1	-M_zsin1	0.0	0.0	0.0
4	-M_xcos1	M_ycos1	M_zcos1	-5.00000	0.0	0.0	-M_xsin1	M_ysin1	M_zsin1	0.0	0.0	0.0
(1/2,1/2,1/2,0) + set click here to show and hide
5	M_xcos1	M_ycos1	M_zcos1	5.00000	0.0	0.0	M_xsin1	M_ysin1	M_zsin1	0.0	0.0	0.0
6	-M_xcos1	M_ycos1	M_zcos1	-5.00000	0.0	0.0	M_xsin1	-M_ysin1	-M_zsin1	0.0	0.0	0.0
7	M_xcos1	M_ycos1	M_zcos1	5.00000	0.0	0.0	-M_xsin1	-M_ysin1	-M_zsin1	0.0	0.0	0.0
8	-M_xcos1	M_ycos1	M_zcos1	-5.00000	0.0	0.0	-M_xsin1	M_ysin1	M_zsin1	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
mA2	1	4	general	primary	6

Comments:

NPD
Another incommensurate magnetic phase below 4K is reported (see #1.1.74)
Position structure from a determination at 15K
Figure in original reference is inconsistent with the reported propagation vector. The propagation vector has been assumed correct.
Dy moment amplitude: 5.0(1)

Comments (symmetry):

1k incommensurate magnetic structure
k-maximal magnetic symmetry (2 possible)
2-dim extended (k,-k) small irrep along a general direction as primary

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

Dy₂Ni₃Si₅ (#1.1.75)

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

Dy2Ni3Si5 (#1.1.75)

Dy₂Ni₃Si₅ (#1.1.75)