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	{ 2₀₁₀ \| 0 0 1/2 1/2 }
3	-x1,-x2,-x3,-x4,+1	{ -1 \| 0 }
4	x1,-x2,x3+1/2,-x4+1/2,+1	{ m₀₁₀ \| 0 0 1/2 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+1/2,x4+1/2,+1	{ 2₀₁₀ \| 1/2 1/2 1/2 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+1/2,-x4+1/2,+1	{ m₀₁₀ \| 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+1/2,x4,-1	{ 2'₀₁₀ \| 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'₀₁₀ \| 0 0 1/2 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+1/2,x4,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 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+1/2,-x4,-1	{ m'₀₁₀ \| 1/2 1/2 1/2 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
3	-x,-y,-z,+1	-1
4	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,y,-z,-1	2'₀₁₀
7	-x,-y,-z,-1	-1'
8	x,-y,z,-1	m'₀₁₀

Label	Atom type	x	y	z	Multiplicity
Sr1	Sr	0	0.3085	0.25	4
Ge1	Ge	0.28244	0.09546	0.2193	8
O1	O	0.11107	0.0874	0.1396	8
O2	O	0.3578	0.2547	0.3181	8
O3	O	0.35351	0.0218	0.9812	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
Mn1	M_xcos1	0	M_zcos1	-0.124	0.0	-0.039	M_xsin1	0	M_zsin1	2.019	0.0	0.642

Atom	x	y	z
1	0.00000	0.90760	0.25000
2	0.00000	0.09240	0.75000
(1/2,1/2,0,0) + set click here to show and hide
3	0.50000	0.40760	0.25000
4	0.50000	0.59240	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	0	M_zcos1	-0.12400	0.0	-0.03900	M_xsin1	0	M_zsin1	2.01900	0.0	0.64200
2	M_xcos1	0	M_zcos1	-0.12400	0.0	-0.03900	-M_xsin1	0	-M_zsin1	-2.01900	0.0	-0.64200
(1/2,1/2,0,0) + set click here to show and hide
3	M_xcos1	0	M_zcos1	-0.12400	0.0	-0.03900	M_xsin1	0	M_zsin1	2.01900	0.0	0.64200
4	M_xcos1	0	M_zcos1	-0.12400	0.0	-0.03900	-M_xsin1	0	-M_zsin1	-2.01900	0.0	-0.64200

Atom	x	y	z
1	0.00000	0.30850	0.25000
2	0.00000	0.69150	0.75000
(1/2,1/2,0,0) + set click here to show and hide
3	0.50000	0.80850	0.25000
4	0.50000	0.19150	0.75000

Atom	x	y	z
1	0.28244	0.09546	0.21930
2	0.71756	0.09546	0.28070
3	0.71756	0.90454	0.78070
4	0.28244	0.90454	0.71930
(1/2,1/2,0,0) + set click here to show and hide
5	0.78244	0.59546	0.21930
6	0.21756	0.59546	0.28070
7	0.21756	0.40454	0.78070
8	0.78244	0.40454	0.71930

Atom	x	y	z
1	0.11107	0.08740	0.13960
2	0.88893	0.08740	0.36040
3	0.88893	0.91260	0.86040
4	0.11107	0.91260	0.63960
(1/2,1/2,0,0) + set click here to show and hide
5	0.61107	0.58740	0.13960
6	0.38893	0.58740	0.36040
7	0.38893	0.41260	0.86040
8	0.61107	0.41260	0.63960

Atom	x	y	z
1	0.35780	0.25470	0.31810
2	0.64220	0.25470	0.18190
3	0.64220	0.74530	0.68190
4	0.35780	0.74530	0.81810
(1/2,1/2,0,0) + set click here to show and hide
5	0.85780	0.75470	0.31810
6	0.14220	0.75470	0.18190
7	0.14220	0.24530	0.68190
8	0.85780	0.24530	0.81810

Atom	x	y	z
1	0.35351	0.02180	0.98120
2	0.64649	0.02180	0.51880
3	0.64649	0.97820	0.01880
4	0.35351	0.97820	0.48120
(1/2,1/2,0,0) + set click here to show and hide
5	0.85351	0.52180	0.98120
6	0.14649	0.52180	0.51880
7	0.14649	0.47820	0.01880
8	0.85351	0.47820	0.48120

Reference: C.V. Colin, L. Ding, E. Ressouche, J. Robert, N. Terada, F. Gay, P. Lejay, V. Simonet, C. Darie, P. Bordet and S. Petit, Physical Review B (2020) 101 235109.
DOI: 10.1103/physrevb.101.235109
Atomic positions from: same reference

Parent space group (paramagnetic phase): C2/c (#15)
Propagation vector: k1 (0.000000, 0.381000, 0.000000)

Transition Temperature: 4.36 K
Experiment Temperature: 4.1 K

Lattice parameters of the basic unit cell:
10.3559 9.3903 5.5133 90 104.651 90
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

Magnetic Superspace Group: C2/c1'(0b0)s0s
    [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
Mn1	Mn	0	0.9076	0.25	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
Mn1	M_xcos1	0	M_zcos1	-0.124	0.0	-0.039	M_xsin1	0	M_zsin1	2.019	0.0	0.642

Atom	x	y	z
1	0.00000	0.90760	0.25000
2	0.00000	0.09240	0.75000
(1/2,1/2,0,0) + set click here to show and hide
3	0.50000	0.40760	0.25000
4	0.50000	0.59240	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	0	M_zcos1	-0.12400	0.0	-0.03900	M_xsin1	0	M_zsin1	2.01900	0.0	0.64200
2	M_xcos1	0	M_zcos1	-0.12400	0.0	-0.03900	-M_xsin1	0	-M_zsin1	-2.01900	0.0	-0.64200
(1/2,1/2,0,0) + set click here to show and hide
3	M_xcos1	0	M_zcos1	-0.12400	0.0	-0.03900	M_xsin1	0	M_zsin1	2.01900	0.0	0.64200
4	M_xcos1	0	M_zcos1	-0.12400	0.0	-0.03900	-M_xsin1	0	-M_zsin1	-2.01900	0.0	-0.64200

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

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mLD2	1	2	primary	4

Comments:

NSD
Below 4.05K a second magnetic phase with a cycloidal modulation is also reported (see #1.1.90)
Non-polar structure

Comments (symmetry):

1k incommensurate magnetic structure
1-dim small irrep as primary.
The active irrep yields a single possible superspace group (MSSG)
The model was a priori constrained to be collinear, which reduces the number of free parameters from 4 to 3
Here the magnetic superspace group (MSSG) of the structure is used maintaining the setting of the parent paramagnetic structure, and its label is made consistent with the setting used.
In order to describe the structure under its MSSG symmetry, the phase parameters reported in the original reference have been transformed.
The phase of the Mn1 modulation has been chosen to be consistent with the inversion operation of the MSSG description

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

SrMnGe₂O₆ (#1.1.89)

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

SrMnGe2O6 (#1.1.89)

SrMnGe₂O₆ (#1.1.89)