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	Multiplicity
Pt1	Pt	0	0.7217(5)	0.314(1)	4
Ge1	Ge	0	0.2060(4)	0.984(1)	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
U1	0	0	M_zcos1	0.0	0.0	1.5(1)	M_xsin1	0	0	-1.8(1)	0.0	0.0
U2	0	0	M_zcos1	0.0	0.0	0.9(1)	M_xsin1	0	0	-1.3(1)	0.0	0.0

Atom	x	y	z
1	0.00000	0.00000	0.62500
(1/2,1/2,1/2,0) + set click here to show and hide
2	0.50000	0.50000	0.12500

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	1.50000	M_xsin1	0	0	-1.80000	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	1.50000	M_xsin1	0	0	-1.80000	0.0	0.0

Atom	x	y	z
1	0.00000	0.50000	0.68600
(1/2,1/2,1/2,0) + set click here to show and hide
2	0.50000	0.00000	0.18600

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	0.90000	M_xsin1	0	0	-1.30000	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	0.90000	M_xsin1	0	0	-1.30000	0.0	0.0

Atom	x	y	z
1	0.00000	0.72170	0.31400
2	0.00000	0.27830	0.31400
(1/2,1/2,1/2,0) + set click here to show and hide
3	0.50000	0.22170	0.81400
4	0.50000	0.77830	0.81400

Atom	x	y	z
1	0.00000	0.20600	0.98400
2	0.00000	0.79400	0.98400
(1/2,1/2,1/2,0) + set click here to show and hide
3	0.50000	0.70600	0.48400
4	0.50000	0.29400	0.48400

Reference: D. Mannix, S. Coad, G.H. Lander, J. Rebizant, P.J. Brown, J.A. PaixÃ£o, S. Langridge, S. Kawamata and Y. Yamaguchi, Physical Review B (2000) 62 3801-3810.
DOI: 10.1103/physrevb.62.3801
Atomic positions from: ICSD #92071

Parent space group (paramagnetic phase): Imm2 (#44)
Propagation vector: k1 (0.554(1), 0.000000, 0.000000)

Transition Temperature: 50 K
Experiment Temperature: 4.2 K

Lattice parameters of the basic unit cell:
4.32 7.17 7.5 90 90 90
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

Magnetic Superspace Group: Imm21'(α00)0s0s
    [View symmetry operations]

Magnetic Point Group: mm21' (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
U1	U	0	0	0.625	2
U2	U	0	0.5	0.686(1)	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
U1	0	0	M_zcos1	0.0	0.0	1.5(1)	M_xsin1	0	0	-1.8(1)	0.0	0.0
U2	0	0	M_zcos1	0.0	0.0	0.9(1)	M_xsin1	0	0	-1.3(1)	0.0	0.0

Atom	x	y	z
1	0.00000	0.00000	0.62500
(1/2,1/2,1/2,0) + set click here to show and hide
2	0.50000	0.50000	0.12500

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	1.50000	M_xsin1	0	0	-1.80000	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	1.50000	M_xsin1	0	0	-1.80000	0.0	0.0

Atom	x	y	z
1	0.00000	0.50000	0.68600
(1/2,1/2,1/2,0) + set click here to show and hide
2	0.50000	0.00000	0.18600

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	0.90000	M_xsin1	0	0	-1.30000	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	0.90000	M_xsin1	0	0	-1.30000	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
mSM2	1	2	primary	4

Comments:

NSD and polarized neutron diffraction
second order satellites from structural modulation have been observed with Synchrotron X-ray resonant scattering.
signs of the two independent U cycloids no clear for the original reference. They have been chosen to fit with configurations proposed in PhysRevB. 2001, 63, 134436.

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry (only 2 MSSG possible)
The modulations of the two independent U sites must be in phase.
elliptical spin cycloidal modulation on the plane xz also dictated the MSSG.
2-dim active irrep, which means a one to one correspondence with the MSSG, but less free parameters than in the usual representation approach, due to the inclusion of the symmetry properties for operations changing k into -k.

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

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