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+1/2,-x3,-x4,+1	{ 2₀₁₀ \| 0 1/2 0 0 }
4	x1+1/2,-x2+1/2,-x3+1/2,x4+1/2,+1	{ 2₁₀₀ \| 1/2 1/2 1/2 1/2 }
5	-x1,-x2,-x3,-x4,+1	{ -1 \| 0 }
6	x1+1/2,x2,-x3+1/2,x4+1/2,+1	{ m₀₀₁ \| 1/2 0 1/2 1/2 }
7	x1,-x2+1/2,x3,x4,+1	{ m₀₁₀ \| 0 1/2 0 0 }
8	-x1+1/2,x2+1/2,x3+1/2,-x4+1/2,+1	{ m₁₀₀ \| 1/2 1/2 1/2 1/2 }
9	x1,x2,x3,x4+1/2,-1	{ 1' \| 0 0 0 1/2 }
10	-x1+1/2,-x2,x3+1/2,-x4,-1	{ 2'₀₀₁ \| 1/2 0 1/2 0 }
11	-x1,x2+1/2,-x3,-x4+1/2,-1	{ 2'₀₁₀ \| 0 1/2 0 1/2 }
12	x1+1/2,-x2+1/2,-x3+1/2,x4,-1	{ 2'₁₀₀ \| 1/2 1/2 1/2 0 }
13	-x1,-x2,-x3,-x4+1/2,-1	{ -1' \| 0 0 0 1/2 }
14	x1+1/2,x2,-x3+1/2,x4,-1	{ m'₀₀₁ \| 1/2 0 1/2 0 }
15	x1,-x2+1/2,x3,x4+1/2,-1	{ m'₀₁₀ \| 0 1/2 0 1/2 }
16	-x1+1/2,x2+1/2,x3+1/2,-x4,-1	{ m'₁₀₀ \| 1/2 1/2 1/2 0 }
17	x1,x2,x3,x4+1/2,-1	{ 1' \| 0 0 0 1/2 }
18	-x1+1/2,-x2,x3+1/2,-x4,-1	{ 2'₀₀₁ \| 1/2 0 1/2 0 }
19	-x1,x2+1/2,-x3,-x4+1/2,-1	{ 2'₀₁₀ \| 0 1/2 0 1/2 }
20	x1+1/2,-x2+1/2,-x3+1/2,x4,-1	{ 2'₁₀₀ \| 1/2 1/2 1/2 0 }
21	-x1,-x2,-x3,-x4+1/2,-1	{ -1' \| 0 0 0 1/2 }
22	x1+1/2,x2,-x3+1/2,x4,-1	{ m'₀₀₁ \| 1/2 0 1/2 0 }
23	x1,-x2+1/2,x3,x4+1/2,-1	{ m'₀₁₀ \| 0 1/2 0 1/2 }
24	-x1+1/2,x2+1/2,x3+1/2,-x4,-1	{ m'₁₀₀ \| 1/2 1/2 1/2 0 }
25	x1,x2,x3,x4,+1	{ 1 \| 0 }
26	-x1+1/2,-x2,x3+1/2,-x4+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 1/2 }
27	-x1,x2+1/2,-x3,-x4,+1	{ 2₀₁₀ \| 0 1/2 0 0 }
28	x1+1/2,-x2+1/2,-x3+1/2,x4+1/2,+1	{ 2₁₀₀ \| 1/2 1/2 1/2 1/2 }
29	-x1,-x2,-x3,-x4,+1	{ -1 \| 0 }
30	x1+1/2,x2,-x3+1/2,x4+1/2,+1	{ m₀₀₁ \| 1/2 0 1/2 1/2 }
31	x1,-x2+1/2,x3,x4,+1	{ m₀₁₀ \| 0 1/2 0 0 }
32	-x1+1/2,x2+1/2,x3+1/2,-x4+1/2,+1	{ m₁₀₀ \| 1/2 1/2 1/2 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,z,+1	2₀₀₁
3	-x,y,-z,+1	2₀₁₀
4	x,-y,-z,+1	2₁₀₀
5	-x,-y,-z,+1	-1
6	x,y,-z,+1	m₀₀₁
7	x,-y,z,+1	m₀₁₀
8	-x,y,z,+1	m₁₀₀
1' + set click here to show and hide
9	x,y,z,-1	1'
10	-x,-y,z,-1	2'₀₀₁
11	-x,y,-z,-1	2'₀₁₀
12	x,-y,-z,-1	2'₁₀₀
13	-x,-y,-z,-1	-1'
14	x,y,-z,-1	m'₀₀₁
15	x,-y,z,-1	m'₀₁₀
16	-x,y,z,-1	m'₁₀₀

Label	Atom type	x	y	z	Multiplicity
O1	O	0.468	0.25	0.111	4
O2	O	0.326	0.056	0.704	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
Tm1	0	M_ycos1	0	0.0	0.0	0.0	0	M_ysin1	0	0.0	0.0	0.0
Mn1	M_xcos1	M_ycos1	M_zcos1	2.98	0.0	0.95	0	0	0	0.0	0.0	0.0

Atom	x	y	z
1	0.08500	0.25000	0.98200
2	0.41500	0.75000	0.48200
3	0.91500	0.75000	0.01800
4	0.58500	0.25000	0.51800

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	M_ycos1	0	0.0	0.0	0.0	0	M_ysin1	0	0.0	0.0	0.0
2	0	M_ycos1	0	0.0	0.0	0.0	0	-M_ysin1	0	0.0	0.0	0.0
3	0	M_ycos1	0	0.0	0.0	0.0	0	-M_ysin1	0	0.0	0.0	0.0
4	0	M_ycos1	0	0.0	0.0	0.0	0	M_ysin1	0	0.0	0.0	0.0

Atom	x	y	z
1	0.00000	0.00000	0.50000
2	0.50000	0.00000	0.00000
3	0.00000	0.50000	0.50000
4	0.50000	0.50000	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	2.98000	0.0	0.95000	0	0	0	0.0	0.0	0.0
2	M_xcos1	M_ycos1	-M_zcos1	2.98000	0.0	-0.95000	0	0	0	0.0	0.0	0.0
3	-M_xcos1	M_ycos1	-M_zcos1	-2.98000	0.0	-0.95000	0	0	0	0.0	0.0	0.0
4	-M_xcos1	M_ycos1	M_zcos1	-2.98000	0.0	0.95000	0	0	0	0.0	0.0	0.0

Atom	x	y	z
1	0.46800	0.25000	0.11100
2	0.03200	0.75000	0.61100
3	0.53200	0.75000	0.88900
4	0.96800	0.25000	0.38900

Atom	x	y	z
1	0.32600	0.05600	0.70400
2	0.17400	0.94400	0.20400
3	0.67400	0.55600	0.29600
4	0.82600	0.44400	0.79600
5	0.67400	0.94400	0.29600
6	0.82600	0.05600	0.79600
7	0.32600	0.44400	0.70400
8	0.17400	0.55600	0.20400

Reference: V.Y. Pomjakushin, M. Kenzelmann, A. Donni, A.B. Harris, T. Nakajima, S. Mitsuda, M. Tachibana, L. Keller, J. Mesot, H. Kitazawa and E. Takayama-Muromachi, New Journal of Physics (2009) 11 043019.
DOI: 10.1088/1367-2630/11/4/043019
Atomic positions from: ICSD #162209

Parent space group (paramagnetic phase): Pnma (#62)
Propagation vector: k1 (0.450000, 0.000000, 0.000000)

Transition Temperature: 40 K
Experiment Temperature: 35 K

Lattice parameters of the basic unit cell:
5.8157 7.3218 5.231 90 90 90
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

Magnetic Superspace Group: Pnma1'(a00)00ss
    [View symmetry operations]

Magnetic Point Group: mmm1' (8.2.25)
    [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
Tm1	Tm	0.085	0.25	0.982	4
Mn1	Mn	0	0	0.5	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
Tm1	0	M_ycos1	0	0.0	0.0	0.0	0	M_ysin1	0	0.0	0.0	0.0
Mn1	M_xcos1	M_ycos1	M_zcos1	2.98	0.0	0.95	0	0	0	0.0	0.0	0.0

Atom	x	y	z
1	0.08500	0.25000	0.98200
2	0.41500	0.75000	0.48200
3	0.91500	0.75000	0.01800
4	0.58500	0.25000	0.51800

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	M_ycos1	0	0.0	0.0	0.0	0	M_ysin1	0	0.0	0.0	0.0
2	0	M_ycos1	0	0.0	0.0	0.0	0	-M_ysin1	0	0.0	0.0	0.0
3	0	M_ycos1	0	0.0	0.0	0.0	0	-M_ysin1	0	0.0	0.0	0.0
4	0	M_ycos1	0	0.0	0.0	0.0	0	M_ysin1	0	0.0	0.0	0.0

Atom	x	y	z
1	0.00000	0.00000	0.50000
2	0.50000	0.00000	0.00000
3	0.00000	0.50000	0.50000
4	0.50000	0.50000	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	2.98000	0.0	0.95000	0	0	0	0.0	0.0	0.0
2	M_xcos1	M_ycos1	-M_zcos1	2.98000	0.0	-0.95000	0	0	0	0.0	0.0	0.0
3	-M_xcos1	M_ycos1	-M_zcos1	-2.98000	0.0	-0.95000	0	0	0	0.0	0.0	0.0
4	-M_xcos1	M_ycos1	M_zcos1	-2.98000	0.0	0.95000	0	0	0	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
mSM3	1	2	general	primary	5

Comments:

NPD
Positional structure from a determination at room temperature taken from the icsd
Below 32K the phase becomes commensurate with wave vector (1/2,0,0)

Comments (symmetry):

1k incommensurate magnetic structure
1-dim small irrep (2-dim k,-k irrep) as primary

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

TmMnO₃ (#1.1.70)

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

TmMnO3 (#1.1.70)

TmMnO₃ (#1.1.70)