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	x3,x1,x2,x4+1/3,+1	{ 3⁺₁₁₁ \| 0 0 0 1/3 }
3	x2,x3,x1,x4+2/3,+1	{ 3^-₁₁₁ \| 0 0 0 2/3 }
4	-x2,-x1,-x3,-x4,+1	{ 2_1-10 \| 0 }
5	-x1,-x3,-x2,-x4+2/3,+1	{ 2_01-1 \| 0 0 0 2/3 }
6	-x3,-x2,-x1,-x4+1/3,+1	{ 2_-101 \| 0 0 0 1/3 }
(0,0,0,1/2)' + set click here to show and hide
7	x1,x2,x3,x4+1/2,-1	{ 1' \| 0 0 0 1/2 }
8	x3,x1,x2,x4+5/6,-1	{ 3'⁺₁₁₁ \| 0 0 0 5/6 }
9	x2,x3,x1,x4+1/6,-1	{ 3'^-₁₁₁ \| 0 0 0 1/6 }
10	-x2,-x1,-x3,-x4+1/2,-1	{ 2'_1-10 \| 0 0 0 1/2 }
11	-x1,-x3,-x2,-x4+1/6,-1	{ 2'_01-1 \| 0 0 0 1/6 }
12	-x3,-x2,-x1,-x4+5/6,-1	{ 2'_-101 \| 0 0 0 5/6 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	z,x,y,+1	3⁺₁₁₁
3	y,z,x,+1	3^-₁₁₁
4	-y,-x,-z,+1	2_1-10
5	-x,-z,-y,+1	2_01-1
6	-z,-y,-x,+1	2_-101
1' + set click here to show and hide
7	x,y,z,-1	1'
8	z,x,y,-1	3'⁺₁₁₁
9	y,z,x,-1	3'^-₁₁₁
10	-y,-x,-z,-1	2'_1-10
11	-x,-z,-y,-1	2'_01-1
12	-z,-y,-x,-1	2'_-101

Label	Atom type	x	y	z	Multiplicity
Sr1	Sr	0.5	0.5	0.5	1
O1	O	0.5	0	0.5	3

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
Fe1	√3M_xsin1	-√3M_xsin1	0	2.09232	-2.09232	0.0	M_xsin1	M_xsin1	-2M_xsin1	1.208	1.208	-2.416

Atom	x	y	z
1	0.00000	0.00000	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	√3M_xsin1	-√3M_xsin1	0	2.09232	-2.09232	0.0	M_xsin1	M_xsin1	-2M_xsin1	1.20800	1.20800	-2.41600

Atom	x	y	z
1	0.50000	0.50000	0.50000

Atom	x	y	z
1	0.50000	0.00000	0.50000
2	0.50000	0.50000	0.00000
3	0.00000	0.50000	0.50000

Reference: M. Reehuis, C. Ulrich, A. Maljuk, C. Niedermayer, B. Ouladdiaf, A. Hoser, T. Hofmann and B. Keimer, Physical Review B (2012) 85 184109.
DOI: 10.1103/physrevb.85.184109
Atomic positions from: ICSD #92335

Parent space group (paramagnetic phase): Pm-3m (#221)
Propagation vector: k1 (0.129, 0.129, 0.129)

Transition Temperature: 133 K
Experiment Temperature: 2 K

Lattice parameters of the basic unit cell:
3.8509 3.8509 3.8509 90 90 90
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

Magnetic Superspace Group: R321'(00γ)t0s
    [View symmetry operations]

Magnetic Point Group: 321' (18.2.66)
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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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Average atomic positions of symmetry independent atoms

Label	Atom type	x	y	z	Multiplicity
Fe1	Fe	0	0	0	1

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
Fe1	√3M_xsin1	-√3M_xsin1	0	2.09232	-2.09232	0.0	M_xsin1	M_xsin1	-2M_xsin1	1.208	1.208	-2.416

Atom	x	y	z
1	0.00000	0.00000	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	√3M_xsin1	-√3M_xsin1	0	2.09232	-2.09232	0.0	M_xsin1	M_xsin1	-2M_xsin1	1.20800	1.20800	-2.41600

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

Comments:

NSD
Fe moment modulus: 2.960(12)

Comments (symmetry):

MSSG is one of the 6 possible distinct symmetries (epikernels) for the irrep mLD3

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

SrFeO₃ (#1.1.26)

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

SrFeO3 (#1.1.26)

SrFeO₃ (#1.1.26)