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+1/2,-x2,x3+1/2,-x4+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 1/2 }
3	-x1,-x2,-x3,-x4,+1	{ -1 \| 0 }
4	x1+1/2,x2,-x3+1/2,x4+1/2,+1	{ m₀₀₁ \| 1/2 0 1/2 1/2 }
(0,0,0,1/2)' + set click here to show and hide
5	x1,x2,x3,x4+1/2,-1	{ 1' \| 0 0 0 1/2 }
6	-x1+1/2,-x2,x3+1/2,-x4,-1	{ 2'₀₀₁ \| 1/2 0 1/2 0 }
7	-x1,-x2,-x3,-x4+1/2,-1	{ -1' \| 0 0 0 1/2 }
8	x1+1/2,x2,-x3+1/2,x4,-1	{ m'₀₀₁ \| 1/2 0 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	-1
4	x,y,-z,+1	m₀₀₁
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	-1'
8	x,y,-z,-1	m'₀₀₁

Label	Atom type	x	y	z	Multiplicity
Ni1_1	Ni	0.19450	0.25000	0.08470	4
Ge1_1	Ge	0.30550	0.25000	0.41530	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
Tb1_1	M_xcos1	M_ycos1	M_zcos1	9.0	0.0	0.0	M_xsin1	M_ysin1	M_zsin1	0.0	0.0	0.0

Atom	x	y	z
1	0.00000	0.25000	0.70710
2	0.50000	0.75000	0.20710
3	0.00000	0.75000	0.29290
4	0.50000	0.25000	0.79290

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	9.00000	0.0	0.0	M_xsin1	M_ysin1	M_zsin1	0.0	0.0	0.0
2	M_xcos1	M_ycos1	-M_zcos1	9.00000	0.0	0.0	-M_xsin1	-M_ysin1	M_zsin1	0.0	0.0	0.0
3	M_xcos1	M_ycos1	M_zcos1	9.00000	0.0	0.0	-M_xsin1	-M_ysin1	-M_zsin1	0.0	0.0	0.0
4	M_xcos1	M_ycos1	-M_zcos1	9.00000	0.0	0.0	M_xsin1	M_ysin1	-M_zsin1	0.0	0.0	0.0

Atom	x	y	z
1	0.19450	0.25000	0.08470
2	0.30550	0.75000	0.58470
3	0.80550	0.75000	0.91530
4	0.69450	0.25000	0.41530

Atom	x	y	z
1	0.30550	0.25000	0.41530
2	0.19450	0.75000	0.91530
3	0.69450	0.75000	0.58470
4	0.80550	0.25000	0.08470

Reference: G. Andre, F. Bouree, M. Kolenda, A. Oles, A. Pacyna, M. Pinot, W. Sikora, A. Szytula, Journal of Magnetism and Magnetic Materials (1992) 116 375 - 385
DOI: 10.1016/0304-8853(92)90119-9
Atomic positions from: ICSD #57101

Parent space group (paramagnetic phase): 'P (#62)
Propagation vector: k1 (0.716, 0.30900, 0.00000)

Transition Temperature: 17.5 K
Experiment Temperature: 14.65 K

Lattice parameters of the basic unit cell:
6.94990 4.23060 7.28130 90.00000 90.00000 90.00000
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

Magnetic Superspace Group: P112_1/a1'(a,b,0)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
Tb1_1	Tb	0.00000	0.25000	0.70710	4

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
Tb1_1	M_xcos1	M_ycos1	M_zcos1	9.0	0.0	0.0	M_xsin1	M_ysin1	M_zsin1	0.0	0.0	0.0

Atom	x	y	z
1	0.00000	0.25000	0.70710
2	0.50000	0.75000	0.20710
3	0.00000	0.75000	0.29290
4	0.50000	0.25000	0.79290

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	9.00000	0.0	0.0	M_xsin1	M_ysin1	M_zsin1	0.0	0.0	0.0
2	M_xcos1	M_ycos1	-M_zcos1	9.00000	0.0	0.0	-M_xsin1	-M_ysin1	M_zsin1	0.0	0.0	0.0
3	M_xcos1	M_ycos1	M_zcos1	9.00000	0.0	0.0	-M_xsin1	-M_ysin1	-M_zsin1	0.0	0.0	0.0
4	M_xcos1	M_ycos1	-M_zcos1	9.00000	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	action	number of modes
mV2	1	4	primary	6

Comments:

NPD
Position structure from a determination at 35K

Comments (symmetry):

1k incommensurate structure
2-dim extended (k,-k) small irrep as primary
k-maximal magnetic symmetry
The star of the irrep has 2 pairs of (k,-k) vectors. 2-k arrangements involving also the other (k,-k) pair of the irrep star were not considered.

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

TbNiGe (#1.1.102)