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	-x2,x1-x2,x3,x4,+1	{ 3⁺₀₀₁ \| 0 }
3	-x1+x2,-x1,x3,x4,+1	{ 3^-₀₀₁ \| 0 }
4	x1-x2,-x2,-x3,-x4+1/2,+1	{ 2₁₀₀ \| 0 0 0 1/2 }
5	x2,x1,-x3,-x4+1/2,+1	{ 2₁₁₀ \| 0 0 0 1/2 }
6	-x1,-x1+x2,-x3,-x4+1/2,+1	{ 2₀₁₀ \| 0 0 0 1/2 }
7	-x1+x2,-x1,-x3,-x4,+1	{ -6⁺₀₀₁ \| 0 }
8	x1,x2,-x3,-x4,+1	{ m₀₀₁ \| 0 }
9	-x2,x1-x2,-x3,-x4,+1	{ -6^-₀₀₁ \| 0 }
10	-x1,-x1+x2,x3,x4+1/2,+1	{ m₂₁₀ \| 0 0 0 1/2 }
11	x1-x2,-x2,x3,x4+1/2,+1	{ m₁₂₀ \| 0 0 0 1/2 }
12	x2,x1,x3,x4+1/2,+1	{ m_1-10 \| 0 0 0 1/2 }
(0,0,0,1/2)' + set click here to show and hide
13	x1,x2,x3,x4+1/2,-1	{ 1' \| 0 0 0 1/2 }
14	-x2,x1-x2,x3,x4+1/2,-1	{ 3'⁺₀₀₁ \| 0 0 0 1/2 }
15	-x1+x2,-x1,x3,x4+1/2,-1	{ 3'^-₀₀₁ \| 0 0 0 1/2 }
16	x1-x2,-x2,-x3,-x4,-1	{ 2'₁₀₀ \| 0 }
17	x2,x1,-x3,-x4,-1	{ 2'₁₁₀ \| 0 }
18	-x1,-x1+x2,-x3,-x4,-1	{ 2'₀₁₀ \| 0 }
19	-x1+x2,-x1,-x3,-x4+1/2,-1	{ -6'⁺₀₀₁ \| 0 0 0 1/2 }
20	x1,x2,-x3,-x4+1/2,-1	{ m'₀₀₁ \| 0 0 0 1/2 }
21	-x2,x1-x2,-x3,-x4+1/2,-1	{ -6'^-₀₀₁ \| 0 0 0 1/2 }
22	-x1,-x1+x2,x3,x4,-1	{ m'₂₁₀ \| 0 }
23	x1-x2,-x2,x3,x4,-1	{ m'₁₂₀ \| 0 }
24	x2,x1,x3,x4,-1	{ m'_1-10 \| 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-y,x-y,z,+1	3⁺₀₀₁
3	-x+y,-x,z,+1	3^-₀₀₁
4	x-y,-y,-z,+1	2₁₀₀
5	y,x,-z,+1	2₁₁₀
6	-x,-x+y,-z,+1	2₀₁₀
7	-x+y,-x,-z,+1	-6⁺₀₀₁
8	x,y,-z,+1	m₀₀₁
9	-y,x-y,-z,+1	-6^-₀₀₁
10	-x,-x+y,z,+1	m₂₁₀
11	x-y,-y,z,+1	m₁₂₀
12	y,x,z,+1	m_1-10
1' + set click here to show and hide
13	x,y,z,-1	1'
14	-y,x-y,z,-1	3'⁺₀₀₁
15	-x+y,-x,z,-1	3'^-₀₀₁
16	x-y,-y,-z,-1	2'₁₀₀
17	y,x,-z,-1	2'₁₁₀
18	-x,-x+y,-z,-1	2'₀₁₀
19	-x+y,-x,-z,-1	-6'⁺₀₀₁
20	x,y,-z,-1	m'₀₀₁
21	-y,x-y,-z,-1	-6'^-₀₀₁
22	-x,-x+y,z,-1	m'₂₁₀
23	x-y,-y,z,-1	m'₁₂₀
24	y,x,z,-1	m'_1-10

Label	Atom type	x	y	z	Occupancy	Multiplicity
Ce1	Ce	0.58570	0.00000	0.00000	1.00000	3

Label	Atom type	x	y	z	Occupancy	Multiplicity
Rh1	Rh	0.00000	0.00000	0.00000	0.19992	1
Pd1	Pd	0.00000	0.00000	0.00000	0.79992	1
Rh2	Rh	0.33333	0.66667	0.50000	0.19998	2
Pd2	Pd	0.33333	0.66667	0.50000	0.79998	2
Sn1	Sn	0.24880	0.00000	0.50000	1.00000	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
Ce1	0	0	M_zcos1	0.0	0.0	1.22(1)	M_xsin1	0	0	0.0	0.0	0.0

Atom	x	y
1	0.58570	0.00000
2	0.00000	0.58570
3	0.41430	0.41430

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	1.22000	M_xsin1	0	0	0.0	0.0	0.0
2	0	0	M_zcos1	0.0	0.0	1.22000	0	M_xsin1	0	0.0	0.0	0.0
3	0	0	M_zcos1	0.0	0.0	1.22000	-M_xsin1	-M_xsin1	0	0.0	0.0	0.0

Atom	x	y	z
1	0.00000	0.00000	0.00000

Atom	x	y	z
1	0.00000	0.00000	0.00000

Atom	x	y	z
1	0.33333	0.66667	0.50000
2	0.66666	0.33333	0.50000

Atom	x	y	z
1	0.33333	0.66667	0.50000
2	0.66666	0.33333	0.50000

Atom	x	y	z
1	0.24880	0.00000	0.50000
2	0.00000	0.24880	0.50000
3	0.75120	0.75120	0.50000

Reference: R. Tripathi, D.T. Adroja, C. Ritter, S. Sharma, C. Yang, A.D. Hillier, M. Koza, F. Demmel, A. Sundaresan, S. Langridge, W. Higemoto, T.U. Ito, A.M. Strydom, G.B.G. Stenning, A. Bhattacharyya, D. Keen, H.C. Walker, R.S. Perry, F. Pratt, Q. Si, T. Takabatake, Phys. Rev. B (2022) 106 064436
DOI: 10.1103/PhysRevB.106.064436
Atomic positions from: same reference

Parent space group (paramagnetic phase): P-62m (#189)
Propagation vector: k1 (0.00000, 0.00000, 0.39000)

Transition Temperature: 5 K
Experiment Temperature: 1.5 K

Lattice parameters of the basic unit cell:
7.53050 7.53050 4.12630 90.00000 90.00000 120.00000
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

Magnetic Superspace Group: P-62m.1'(0,0,g)00ss
    [View symmetry operations]

Magnetic Point Group: -6m2.1' (26.2.96)
    [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
Ce1	Ce	0.58570	0.00000	0.00000	3

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	0	M_zcos1	0.0	0.0	1.22(1)	M_xsin1	0	0	0.0	0.0	0.0

Atom	x	y
1	0.58570	0.00000
2	0.00000	0.58570
3	0.41430	0.41430

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	1.22000	M_xsin1	0	0	0.0	0.0	0.0
2	0	0	M_zcos1	0.0	0.0	1.22000	0	M_xsin1	0	0.0	0.0	0.0
3	0	0	M_zcos1	0.0	0.0	1.22000	-M_xsin1	-M_xsin1	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
mDT2	1	2	general	primary	2

Comments:

NPD
This incommensurate magnetic structure appears below TN1=5K but changes into a commensurate one with k=[0,0,1/2] below TN2=1.3 K (see #1.737)
The composition according to the structure determination is CeRh0.2Pd0.8Sn

Comments (symmetry):

1k incommensurate magnetic structure
2-dim (k,-k) full irrep as primary

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

CeRh_0.25Pd_0.75Sn (#1.1.143)

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

CeRh0.25Pd0.75Sn (#1.1.143)

CeRh_0.25Pd_0.75Sn (#1.1.143)