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+1/2,x3,-x4,+1	{ 2₀₀₁ \| 1/2 1/2 0 0 }
3	-x1,x2+1/2,-x3,-x4+1/2,+1	{ 2₀₁₀ \| 0 1/2 0 1/2 }
4	x1+1/2,-x2,-x3,x4+1/2,+1	{ 2₁₀₀ \| 1/2 0 0 1/2 }
5	-x1,-x2,-x3,-x4,+1	{ -1 \| 0 }
6	x1+1/2,x2+1/2,-x3,x4,+1	{ m₀₀₁ \| 1/2 1/2 0 0 }
7	x1,-x2+1/2,x3,x4+1/2,+1	{ m₀₁₀ \| 0 1/2 0 1/2 }
8	-x1+1/2,x2,x3,-x4+1/2,+1	{ m₁₀₀ \| 1/2 0 0 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+1/2,-x2+1/2,x3,-x4+1/2,-1	{ 2'₀₀₁ \| 1/2 1/2 0 1/2 }
11	-x1,x2+1/2,-x3,-x4,-1	{ 2'₀₁₀ \| 0 1/2 0 0 }
12	x1+1/2,-x2,-x3,x4,-1	{ 2'₁₀₀ \| 1/2 0 0 0 }
13	-x1,-x2,-x3,-x4+1/2,-1	{ -1' \| 0 0 0 1/2 }
14	x1+1/2,x2+1/2,-x3,x4+1/2,-1	{ m'₀₀₁ \| 1/2 1/2 0 1/2 }
15	x1,-x2+1/2,x3,x4,-1	{ m'₀₁₀ \| 0 1/2 0 0 }
16	-x1+1/2,x2,x3,-x4,-1	{ m'₁₀₀ \| 1/2 0 0 0 }

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
As1	As	0.75	0.25	0	2
As2	As	0.25	0.25	0.639	2

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
Np1	0	0	M_zcos1	0.0	0.0	1.58(1)	M_xsin1	0	0	0.0	0.0	0.0

Atom	x	y	z
1	0.25000	0.25000	0.28100
2	0.75000	0.75000	0.71900

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	1.58000	M_xsin1	0	0	0.0	0.0	0.0
2	0	0	M_zcos1	0.0	0.0	1.58000	-M_xsin1	0	0	0.0	0.0	0.0

Atom	x	y	z
1	0.75000	0.25000	0.00000
2	0.25000	0.75000	0.00000

Atom	x	y	z
1	0.25000	0.25000	0.63900
2	0.75000	0.75000	0.36100

Reference: J. Rossat-Mignod, P. Burlet, S. Quezel, A. Blaise, J. Fournier, D. Damien and A. Wojakowski, Journal of Magnetism and Magnetic Materials (1982) 30 122-126.
DOI: 10.1016/0304-8853(82)90018
Atomic positions from: ICSD #611116

Parent space group (paramagnetic phase): P4/nmm (#129)
Propagation vector: k1 (0.141000, 0.000000, 0.000000)

Transition Temperature: 52 K
Experiment Temperature: 24.6 K

Lattice parameters of the basic unit cell:
3.958(2) 3.958(2) 8.098(2) 90 90 90
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

Magnetic Superspace Group: Pmmn1'(a00)0s0s
    [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
Np1	Np	0.25	0.25	0.281	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
Np1	0	0	M_zcos1	0.0	0.0	1.58(1)	M_xsin1	0	0	0.0	0.0	0.0

Atom	x	y	z
1	0.25000	0.25000	0.28100
2	0.75000	0.75000	0.71900

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	1.58000	M_xsin1	0	0	0.0	0.0	0.0
2	0	0	M_zcos1	0.0	0.0	1.58000	-M_xsin1	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
mDT4	1	4	general	primary	2

Comments:

NSD
Positional structure from a determination at room temperature retrieved from ICSD

Comments (symmetry):

1k incommensurate magnetic structure
k-maximal magnetic symmetry (4 possible)
4-dim irrep with 4 k-vectors as primary. It is restrictied to the 2-dim (k,-k) subspace along a general direction
The arbitrary global phase of the modulation is here fixed by the choice of origin for the x4 coordinate in the description of the MSSG operations. This phase is not the same as the one chosen in the publication.
The MSSG allows a cycloidal modulation with the spin rotating on the ac plane.

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

NpAs₂ (#1.1.82)

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

NpAs2 (#1.1.82)

NpAs₂ (#1.1.82)