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	{ m₀₁₀ \| 0 0 1/2 1/2 }
(1/2,1/2,0,0) + set click here to show and hide
3	x1+1/2,x2+1/2,x3,x4,+1	{ 1 \| 1/2 1/2 0 0 }
4	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
5	x1,x2,x3,x4+1/2,-1	{ 1' \| 0 0 0 1/2 }
6	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
7	x1+1/2,x2+1/2,x3,x4+1/2,-1	{ 1' \| 1/2 1/2 0 1/2 }
8	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	m₀₁₀
1' + set click here to show and hide
3	x,y,z,-1	1'
4	x,-y,z,-1	m'₀₁₀

Label	Atom type	x	y	z	Multiplicity
Sr1	Sr	0	0.3085	0.25	4
Ge1_1	Ge	0.28244	0.09546	0.2193	4
Ge1_2	Ge	-0.28244	-0.09546	-0.2193	4
O1_1	O	0.11107	0.0874	0.1396	4
O1_2	O	-0.11107	-0.0874	-0.1396	4
O2_1	O	0.3578	0.2547	0.3181	4
O2_2	O	-0.3578	-0.2547	-0.3181	4
O3_1	O	0.35351	0.0218	0.9812	4
O3_2	O	-0.35351	-0.0218	-0.9812	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
Mn1	M_xcos1	M_ycos1	M_zcos1	-0.288	-3.892	-0.092	M_xsin1	M_ysin1	M_zsin1	4.383	-0.255	1.401

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	M_ycos1	M_zcos1	-0.28800	-3.89200	-0.09200	M_xsin1	M_ysin1	M_zsin1	4.38300	-0.25500	1.40100
2	M_xcos1	-M_ycos1	M_zcos1	-0.28800	3.89200	-0.09200	-M_xsin1	M_ysin1	-M_zsin1	-4.38300	-0.25500	-1.40100
(1/2,1/2,0,0) + set click here to show and hide
3	M_xcos1	M_ycos1	M_zcos1	-0.28800	-3.89200	-0.09200	M_xsin1	M_ysin1	M_zsin1	4.38300	-0.25500	1.40100
4	M_xcos1	-M_ycos1	M_zcos1	-0.28800	3.89200	-0.09200	-M_xsin1	M_ysin1	-M_zsin1	-4.38300	-0.25500	-1.40100

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	0.28244	0.90454	0.71930
(1/2,1/2,0,0) + set click here to show and hide
3	0.78244	0.59546	0.21930
4	0.78244	0.40454	0.71930

Atom	x	y	z
1	0.71756	0.90454	0.78070
2	0.71756	0.09546	0.28070
(1/2,1/2,0,0) + set click here to show and hide
3	0.21756	0.40454	0.78070
4	0.21756	0.59546	0.28070

Atom	x	y	z
1	0.11107	0.08740	0.13960
2	0.11107	0.91260	0.63960
(1/2,1/2,0,0) + set click here to show and hide
3	0.61107	0.58740	0.13960
4	0.61107	0.41260	0.63960

Atom	x	y	z
1	0.88893	0.91260	0.86040
2	0.88893	0.08740	0.36040
(1/2,1/2,0,0) + set click here to show and hide
3	0.38893	0.41260	0.86040
4	0.38893	0.58740	0.36040

Atom	x	y	z
1	0.35780	0.25470	0.31810
2	0.35780	0.74530	0.81810
(1/2,1/2,0,0) + set click here to show and hide
3	0.85780	0.75470	0.31810
4	0.85780	0.24530	0.81810

Atom	x	y	z
1	0.64220	0.74530	0.68190
2	0.64220	0.25470	0.18190
(1/2,1/2,0,0) + set click here to show and hide
3	0.14220	0.24530	0.68190
4	0.14220	0.75470	0.18190

Atom	x	y	z
1	0.35351	0.02180	0.98120
2	0.35351	0.97820	0.48120
(1/2,1/2,0,0) + set click here to show and hide
3	0.85351	0.52180	0.98120
4	0.85351	0.47820	0.48120

Atom	x	y	z
1	0.64649	0.97820	0.01880
2	0.64649	0.02180	0.51880
(1/2,1/2,0,0) + set click here to show and hide
3	0.14649	0.47820	0.01880
4	0.14649	0.52180	0.51880

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, 0.425000, 0.000000)

Transition Temperature: 4.05 K
Experiment Temperature: 2 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: Cc1'(0b0)0s
    [View symmetry operations]

Magnetic Point Group: m1' (4.2.10)
    [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
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	M_ycos1	M_zcos1	-0.288	-3.892	-0.092	M_xsin1	M_ysin1	M_zsin1	4.383	-0.255	1.401

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	M_ycos1	M_zcos1	-0.28800	-3.89200	-0.09200	M_xsin1	M_ysin1	M_zsin1	4.38300	-0.25500	1.40100
2	M_xcos1	-M_ycos1	M_zcos1	-0.28800	3.89200	-0.09200	-M_xsin1	M_ysin1	-M_zsin1	-4.38300	-0.25500	-1.40100
(1/2,1/2,0,0) + set click here to show and hide
3	M_xcos1	M_ycos1	M_zcos1	-0.28800	-3.89200	-0.09200	M_xsin1	M_ysin1	M_zsin1	4.38300	-0.25500	1.40100
4	M_xcos1	-M_ycos1	M_zcos1	-0.28800	3.89200	-0.09200	-M_xsin1	M_ysin1	-M_zsin1	-4.38300	-0.25500	-1.40100

[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
mLD1	1	1	primary	2

Comments:

NSD
Between 4.05K and 4.36K a collinear non-polar phase with single primary irrep is reported (see #1.1.89)
Polar structure with a cycloidal modulation

Comments (symmetry):

1k incommensurate magnetic structure
Two irreps as primary: two order parameters are involved
The two irrep modulations are superposed in quadrature
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 mirror plane operation of the MSSG description

Bilbao Crystallographic Server
http://www.cryst.ehu.es

For comments, please mail to
cryst@wm.lc.ehu.es

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

SrMnGe₂O₆ (#1.1.90)

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

SrMnGe2O6 (#1.1.90)

SrMnGe₂O₆ (#1.1.90)