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,-x1-x2+x4+1/2,+1	{ 2₀₀₁ \| 0 0 0 1/2 }
3	-x2,x1,x3,-x2+x4+1/4,+1	{ 4⁺₀₀₁ \| 0 0 0 1/4 }
4	x2,-x1,x3,-x1+x4+3/4,+1	{ 4^-₀₀₁ \| 0 0 0 3/4 }
5	-x1,x2,-x3,x2-x4,+1	{ 2₀₁₀ \| 0 }
6	x1,-x2,-x3,x1-x4+1/2,+1	{ 2₁₀₀ \| 0 0 0 1/2 }
7	x2,x1,-x3,x1+x2-x4+3/4,+1	{ 2₁₁₀ \| 0 0 0 3/4 }
8	-x2,-x1,-x3,-x4+1/4,+1	{ 2_1-10 \| 0 0 0 1/4 }
(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,-x1-x2+x4,-1	{ 2'₀₀₁ \| 0 }
11	-x2,x1,x3,-x2+x4+3/4,-1	{ 4'⁺₀₀₁ \| 0 0 0 3/4 }
12	x2,-x1,x3,-x1+x4+1/4,-1	{ 4'^-₀₀₁ \| 0 0 0 1/4 }
13	-x1,x2,-x3,x2-x4+1/2,-1	{ 2'₀₁₀ \| 0 0 0 1/2 }
14	x1,-x2,-x3,x1-x4,-1	{ 2'₁₀₀ \| 0 }
15	x2,x1,-x3,x1+x2-x4+1/4,-1	{ 2'₁₁₀ \| 0 0 0 1/4 }
16	-x2,-x1,-x3,-x4+3/4,-1	{ 2'_1-10 \| 0 0 0 3/4 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,z,+1	2₀₀₁
3	-y,x,z,+1	4⁺₀₀₁
4	y,-x,z,+1	4^-₀₀₁
5	-x,y,-z,+1	2₀₁₀
6	x,-y,-z,+1	2₁₀₀
7	y,x,-z,+1	2₁₁₀
8	-y,-x,-z,+1	2_1-10
1' + set click here to show and hide
9	x,y,z,-1	1'
10	-x,-y,z,-1	2'₀₀₁
11	-y,x,z,-1	4'⁺₀₀₁
12	y,-x,z,-1	4'^-₀₀₁
13	-x,y,-z,-1	2'₀₁₀
14	x,-y,-z,-1	2'₁₀₀
15	y,x,-z,-1	2'₁₁₀
16	-y,-x,-z,-1	2'_1-10

Label	Atom type	x	y	z	Multiplicity
Rh1	Rh	0	0	0.5	1
In1	In	0.5	0.5	0	1
In2	In	0	0.5	0.3059(2)	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
Ce1	0	-M_xsin1	0	0.0	-0.75	0.0	M_xsin1	0	0	0.75(2)	0.0	0.0

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	0	-M_xsin1	0	0.0	-0.75000	0.0	M_xsin1	0	0	0.75000	0.0	0.0

Atom	x	y	z
1	0.00000	0.00000	0.50000

Atom	x	y	z
1	0.50000	0.50000	0.00000

Atom	x	y	z
1	0.00000	0.50000	0.30590
2	0.50000	0.00000	0.30590
3	0.00000	0.50000	0.69410
4	0.50000	0.00000	0.69410

Reference: W. Bao, P.G. Pagliuso, J.L. Sarrao, J.D. Thompson, Z. Fisk, J.W. Lynn and R.W. Erwin, Physical Review B (2000) 62 R14621-R14624.
DOI: 10.1103/physrevb.62.r14621
Atomic positions from: ICSD #150226

Parent space group (paramagnetic phase): P4/mmm (#123)
Propagation vector: k1 (0.500000, 0.500000, 0.297000)

Transition Temperature: 3.8 K
Experiment Temperature: 1.4 K

Lattice parameters of the basic unit cell:
4.6551(5) 4.6551(5) 7.5426(11) 90 90 90
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

Magnetic Superspace Group: P4221'(1/2,1/2,γ)q00s
    [View symmetry operations]

Magnetic Point Group: 4221' (12.2.41)
    [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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Average atomic positions of symmetry independent atoms

Label	Atom type	x	y	z	Multiplicity
Ce1	Ce	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
Ce1	0	-M_xsin1	0	0.0	-0.75	0.0	M_xsin1	0	0	0.75(2)	0.0	0.0

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	0	-M_xsin1	0	0.0	-0.75000	0.0	M_xsin1	0	0	0.75000	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
mV5	2	4	special	primary	1

Comments:

NSD
two erratum articles correct the original reference

Comments (symmetry):

1k magnetic structur
k-maximal magnetic symmetry.
circular screw spiral Ce spin modulations are symmetry-protected.
7 different MSSGs are possible for the same active irrep.
Experiment cannot distinguish the model from an alternative collinear arrangement with spins along x (its MSSG Pmmm1'(1/2,1/2,g)0s0s would also be k-maximal, and with the same active irrep).

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

CeRhIn₅ (#1.1.16)

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

CeRhIn5 (#1.1.16)

CeRhIn₅ (#1.1.16)