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 }
(0,1/2,0,1/2) + set click here to show and hide
5	x1,x2+1/2,x3,x4+1/2,+1	{ 1 \| 0 1/2 0 1/2 }
6	-x1,x2+1/2,-x3+1/2,-x4,+1	{ 2₀₁₀ \| 0 1/2 1/2 0 }
7	-x1,-x2+1/2,-x3,-x4+1/2,+1	{ -1 \| 0 1/2 0 1/2 }
8	x1,-x2+1/2,x3+1/2,x4,+1	{ m₀₁₀ \| 0 1/2 1/2 0 }
(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 }
(0,1/2,0,0)' + set click here to show and hide
13	x1,x2+1/2,x3,x4,-1	{ 1' \| 0 1/2 0 0 }
14	-x1,x2+1/2,-x3+1/2,-x4+1/2,-1	{ 2'₀₁₀ \| 0 1/2 1/2 1/2 }
15	-x1,-x2+1/2,-x3,-x4,-1	{ -1' \| 0 1/2 0 0 }
16	x1,-x2+1/2,x3+1/2,x4+1/2,-1	{ m'₀₁₀ \| 0 1/2 1/2 1/2 }

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	Occupancy	Multiplicity
Mn1	Mn	0.5	0.34225	0.25	1	4

Label	Atom type	x	y	z	Occupancy	Multiplicity
W1	W	0	0.08981	0.25	0.5	4
O1	O	0.21056	0.0512	0.94379	0.5	8
O2	O	0.25033	0.187205	0.39428	0.5	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	1.46(3)	0.0	1.18(2)	0	M_ysin1	0	0.0	0.05(3)	0.0

Atom	x	y	z
1	0.50000	0.34225	0.25000
2	0.50000	0.65775	0.75000
(0,1/2,0,1/2) + set click here to show and hide
3	0.50000	0.84225	0.25000
4	0.50000	0.15775	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	1.46000	0.0	1.18000	0	M_ysin1	0	0.0	0.05000	0.0
2	M_xcos1	0	M_zcos1	1.46000	0.0	1.18000	0	-M_ysin1	0	0.0	-0.05000	0.0
(0,1/2,0,1/2) + set click here to show and hide
3	-M_xcos1	0	-M_zcos1	-1.46000	0.0	-1.18000	0	-M_ysin1	0	0.0	-0.05000	0.0
4	-M_xcos1	0	-M_zcos1	-1.46000	0.0	-1.18000	0	M_ysin1	0	0.0	0.05000	0.0

Atom	x	y	z
1	0.00000	0.08981	0.25000
2	0.00000	0.91019	0.75000
(0,1/2,0,1/2) + set click here to show and hide
3	0.00000	0.58981	0.25000
4	0.00000	0.41019	0.75000

Atom	x	y	z
1	0.21056	0.05120	0.94379
2	0.78944	0.05120	0.55621
3	0.78944	0.94880	0.05621
4	0.21056	0.94880	0.44379
(0,1/2,0,1/2) + set click here to show and hide
5	0.21056	0.55120	0.94379
6	0.78944	0.55120	0.55621
7	0.78944	0.44880	0.05621
8	0.21056	0.44880	0.44379

Atom	x	y	z
1	0.25033	0.18721	0.39428
2	0.74967	0.18721	0.10572
3	0.74967	0.81279	0.60572
4	0.25033	0.81279	0.89428
(0,1/2,0,1/2) + set click here to show and hide
5	0.25033	0.68721	0.39428
6	0.74967	0.68721	0.10572
7	0.74967	0.31279	0.60572
8	0.25033	0.31279	0.89428

Reference: I. Urcelay-Olabarria, J.M. Perez-Mato, J.L. Ribeiro, J.L. Garcia-Munoz, E. Ressouche, V. Skumryev and A.A. Mukhin, Physical Review B (2013) 87 014419.
DOI: 10.1103/physrevb.87.014419
Atomic positions from: same reference

Parent space group (paramagnetic phase): P2/c (#13)
Propagation vector: k1 (-0.214000, 0.000000, 0.457000)

Transition Temperature: 13.5 K
Experiment Temperature: 13 K

Lattice parameters of the basic unit cell:
4.8228 11.5106 5.0013 90 91.1025 90
Transformation from parent structure: (a,2b,c;0,0,0)
    [View matrix form]

Magnetic Superspace Group: X2/c1'(α0γ)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
Mn1	Mn	0.5	0.34225	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	1.46(3)	0.0	1.18(2)	0	M_ysin1	0	0.0	0.05(3)	0.0

Atom	x	y	z
1	0.50000	0.34225	0.25000
2	0.50000	0.65775	0.75000
(0,1/2,0,1/2) + set click here to show and hide
3	0.50000	0.84225	0.25000
4	0.50000	0.15775	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	1.46000	0.0	1.18000	0	M_ysin1	0	0.0	0.05000	0.0
2	M_xcos1	0	M_zcos1	1.46000	0.0	1.18000	0	-M_ysin1	0	0.0	-0.05000	0.0
(0,1/2,0,1/2) + set click here to show and hide
3	-M_xcos1	0	-M_zcos1	-1.46000	0.0	-1.18000	0	-M_ysin1	0	0.0	-0.05000	0.0
4	-M_xcos1	0	-M_zcos1	-1.46000	0.0	-1.18000	0	M_ysin1	0	0.0	0.05000	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
mG2	1	2	primary	3

Comments:

Phase AF3
Phase AF2 between 12.5K and 6.5K
Phase AF1 below 6.5K

Comments (symmetry):

1k magnetic structure
With respect to the parent unit cell, the propagation vector is of type (a,1/2,g). The used basic structure is doubled along y, to simplify the description, with a wave vector of type (a,0,g) and a centering (0,1/2,0,1/2).
My component is symmetry allowed but nearly zero.
Cuadrature of (Mx,Mz) with My is forced by the superspace group and allows cycloidal chains, but with opposite chiralitities in symmetry related Mn sites.

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

MnWO₄ (#1.1.12)

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

MnWO4 (#1.1.12)

MnWO₄ (#1.1.12)