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,-x4+1/2,+1	{ 2₀₀₁ \| 0 0 0 1/2 }
3	-x1,x2,-x3,-x4+1/2,-1	{ 2'₀₁₀ \| 0 0 0 1/2 }
4	x1,-x2,-x3,x4,-1	{ 2'₁₀₀ \| 0 }
5	-x1,-x2,-x3,-x4,+1	{ -1 \| 0 }
6	x1,x2,-x3,x4+1/2,+1	{ m₀₀₁ \| 0 0 0 1/2 }
7	x1,-x2,x3,x4+1/2,-1	{ m'₀₁₀ \| 0 0 0 1/2 }
8	-x1,x2,x3,-x4,-1	{ m'₁₀₀ \| 0 }
9	x1+1/2,x2+1/2,x3+1/2,x4,+1	{ 1 \| 1/2 1/2 1/2 0 }
10	-x1+1/2,-x2+1/2,x3+1/2,-x4+1/2,+1	{ 2₀₀₁ \| 1/2 1/2 1/2 1/2 }
11	-x1+1/2,x2+1/2,-x3+1/2,-x4+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 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+1/2,-x2+1/2,-x3+1/2,-x4,+1	{ -1 \| 1/2 1/2 1/2 0 }
14	x1+1/2,x2+1/2,-x3+1/2,x4+1/2,+1	{ m₀₀₁ \| 1/2 1/2 1/2 1/2 }
15	x1+1/2,-x2+1/2,x3+1/2,x4+1/2,-1	{ m'₀₁₀ \| 1/2 1/2 1/2 1/2 }
16	-x1+1/2,x2+1/2,x3+1/2,-x4,-1	{ m'₁₀₀ \| 1/2 1/2 1/2 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,z,+1	2₀₀₁
3	-x,y,-z,-1	2'₀₁₀
4	x,-y,-z,-1	2'₁₀₀
5	-x,-y,-z,+1	-1
6	x,y,-z,+1	m₀₀₁
7	x,-y,z,-1	m'₀₁₀
8	-x,y,z,-1	m'₁₀₀

Label	Atom type	x	y	z	Multiplicity
Sr1_1	Sr	0.50000	0.50000	0.00000	2
Sr2_1	Sr	0.00000	0.00000	0.68626	4
Ru1_1	Ru	0.00000	0.00000	0.09741	1
O1_1	O	0.00000	0.00000	0.00000	2
O2_1	O	0.00000	0.00000	0.19580	4
O3_1	O	0.00000	0.50000	0.59640	4
O3_2	O	0.00000	0.50000	0.90360	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
Ru1_1	0.00000	M_ycos1	0.00000	0.0	-0.10000	0.0	0.00000	0.00000	0.00000	0.0	0.0	0.0

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

Atom	x	y	z
1	0.00000	0.00000	0.68626
2	0.00000	0.00000	0.31374
3	0.50000	0.50000	0.18626
4	0.50000	0.50000	0.81374

Atom	x	y	z
1

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

Atom	x	y	z
1	0.00000	0.00000	0.19580
2	0.00000	0.00000	0.80420
3	0.50000	0.50000	0.69580
4	0.50000	0.50000	0.30420

Atom	x	y	z
1	0.00000	0.50000	0.59640
2	0.00000	0.50000	0.40360
3	0.50000	0.00000	0.09640
4	0.50000	0.00000	0.90360

Atom	x	y	z
1	0.00000	0.50000	0.90360
2	0.00000	0.50000	0.09640
3	0.50000	0.00000	0.40360
4	0.50000	0.00000	0.59640

Reference: C. Lester, S. Ramos, R.S. Perry, T.P. Croft, R.I. Bewley, T. Guidi, P. Manuel, D.D. Khalyavin, E.M. Forgan and S.M. Hayden, Nature Materials (2015) 14 373-378.
DOI: 10.1038/nmat4181
Atomic positions from: same reference

Parent space group (paramagnetic phase): I4/mmm (#139)
Propagation vector: k1 (0.23400, 0.00000, 0.00000)

Transition Temperature: 1.1 K
Experiment Temperature: 0.05 K

Lattice parameters of the basic unit cell:
3.88970 3.88970 20.73200 90.00000 90.00000 90.00000
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

Magnetic Superspace Group: Im'm'm(a,0,0)0ss
    [View symmetry operations]

Magnetic Point Group: m'm'm (8.4.27)
    [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
Ru1_1	Ru	0.00000	0.00000	0.09741	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
Ru1_1	0.00000	M_ycos1	0.00000	0.0	-0.10000	0.0	0.00000	0.00000	0.00000	0.0	0.0	0.0

Atom	x	y	z
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
1

[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	2	4	special	primary	1
mGM3+	1	1		primary	1

Comments:

NSD in magnetic field H=8T (WISH-beamline, ISIS Facility, UK)
The experiment has been done in 14T cryomagnet with a dilution fridge refrigerator (very few magnetic reflections were measured)

Comments (symmetry):

2k structure: k1=(0,0,0) k2=(0.233,0,0)
two primary irreps active

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

Sr₃Ru₂O₇ (#1.1.43)

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

Sr3Ru2O7 (#1.1.43)

Sr₃Ru₂O₇ (#1.1.43)