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	{ -1 \| 0 }
4	x1,x2,-x3,x4+1/2,+1	{ m₀₀₁ \| 0 0 0 1/2 }
(1/2,0,1/2,0) + set click here to show and hide
5	x1+1/2,x2,x3+1/2,x4,+1	{ 1 \| 1/2 0 1/2 0 }
6	-x1+1/2,-x2,x3+1/2,-x4+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 1/2 }
7	-x1+1/2,-x2,-x3+1/2,-x4,+1	{ -1 \| 1/2 0 1/2 0 }
8	x1+1/2,x2,-x3+1/2,x4+1/2,+1	{ m₀₀₁ \| 1/2 0 1/2 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,-x2,x3,-x4,-1	{ 2'₀₀₁ \| 0 }
11	-x1,-x2,-x3,-x4+1/2,-1	{ -1' \| 0 0 0 1/2 }
12	x1,x2,-x3,x4,-1	{ m'₀₀₁ \| 0 }
(1/2,0,1/2,1/2)' + set click here to show and hide
13	x1+1/2,x2,x3+1/2,x4+1/2,-1	{ 1' \| 1/2 0 1/2 1/2 }
14	-x1+1/2,-x2,x3+1/2,-x4,-1	{ 2'₀₀₁ \| 1/2 0 1/2 0 }
15	-x1+1/2,-x2,-x3+1/2,-x4+1/2,-1	{ -1' \| 1/2 0 1/2 1/2 }
16	x1+1/2,x2,-x3+1/2,x4,-1	{ m'₀₀₁ \| 1/2 0 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	-1
4	x,y,-z,+1	m₀₀₁
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,-y,z,-1	2'₀₀₁
7	-x,-y,-z,-1	-1'
8	x,y,-z,-1	m'₀₀₁

Label	Atom type	x	y	z	Multiplicity
Pt1_1	Pt	0.83387	0.1668	0.2461	8
Pt2_1	Pt	0.13815	0.3659	0	4
Pt3_1	Pt	0	0.5	0.7558	4
Pt4_1	Pt	0	0	0.7546	4
B1_1	B	0.22701	0.1562	0	4
B2_1	B	0.44465	0.2059	0	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
Yb1_1	M_xcos1	M_ycos1	0	-0.1042	0.151	0.0	M_xsin1	M_ysin1	0	1.1854	-1.723	0.0

Atom	x	y	z
1	0.32746	0.67040	0.00000
2	0.67254	0.32960	0.00000
(1/2,0,1/2,0) + set click here to show and hide
3	0.82746	0.67040	0.50000
4	0.17254	0.32960	0.50000

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	M_xcos1	M_ycos1	0	-0.10420	0.15100	0.0	M_xsin1	M_ysin1	0	1.18540	-1.72300	0.0
2	M_xcos1	M_ycos1	0	-0.10420	0.15100	0.0	-M_xsin1	-M_ysin1	0	-1.18540	1.72300	0.0
(1/2,0,1/2,0) + set click here to show and hide
3	M_xcos1	M_ycos1	0	-0.10420	0.15100	0.0	M_xsin1	M_ysin1	0	1.18540	-1.72300	0.0
4	M_xcos1	M_ycos1	0	-0.10420	0.15100	0.0	-M_xsin1	-M_ysin1	0	-1.18540	1.72300	0.0

Atom	x	y	z
1	0.83387	0.16680	0.24610
2	0.16613	0.83320	0.24610
3	0.16613	0.83320	0.75390
4	0.83387	0.16680	0.75390
(1/2,0,1/2,0) + set click here to show and hide
5	0.33387	0.16680	0.74610
6	0.66613	0.83320	0.74610
7	0.66613	0.83320	0.25390
8	0.33387	0.16680	0.25390

Atom	x	y	z
1	0.13815	0.36590	0.00000
2	0.86185	0.63410	0.00000
(1/2,0,1/2,0) + set click here to show and hide
3	0.63815	0.36590	0.50000
4	0.36185	0.63410	0.50000

Atom	x	y	z
1	0.00000	0.50000	0.75580
2	0.00000	0.50000	0.24420
(1/2,0,1/2,0) + set click here to show and hide
3	0.50000	0.50000	0.25580
4	0.50000	0.50000	0.74420

Atom	x	y	z
1	0.00000	0.00000	0.75460
2	0.00000	0.00000	0.24540
(1/2,0,1/2,0) + set click here to show and hide
3	0.50000	0.00000	0.25460
4	0.50000	0.00000	0.74540

Atom	x	y	z
1	0.22701	0.15620	0.00000
2	0.77299	0.84380	0.00000
(1/2,0,1/2,0) + set click here to show and hide
3	0.72701	0.15620	0.50000
4	0.27299	0.84380	0.50000

Atom	x	y	z
1	0.44465	0.20590	0.00000
2	0.55535	0.79410	0.00000
(1/2,0,1/2,0) + set click here to show and hide
3	0.94465	0.20590	0.50000
4	0.05535	0.79410	0.50000

Reference: L. Salamakha, O. Sologub, H. Michor, D. Khalyavin, M. D. Le, D.T. Adroja, E. Bauer, PHYSICAL REVIEW B (2025) 112 094453
DOI: 10.1103/pj8b-d5h9
Atomic positions from: same reference

Parent space group (paramagnetic phase): C2/m (#12)
Propagation vector: k1 (0.193872, -0.044658, 0.000000)

Transition Temperature: 7.8 K
Experiment Temperature: 6 K

Lattice parameters of the basic unit cell:
15.4555 5.5496 5.5158 90 90 105.4091
Transformation from parent structure: (a,c,-b;0,0,0)
    [View matrix form]

Magnetic Superspace Group: B2/m.1'(αβ0)0ss
    [View symmetry operations]

Magnetic Point Group: 2/m.1' (5.2.13)
    [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
Yb1_1	Yb	0.32746	0.6704	0	4

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
Yb1_1	M_xcos1	M_ycos1	0	-0.1042	0.151	0.0	M_xsin1	M_ysin1	0	1.1854	-1.723	0.0

Atom	x	y	z
1	0.32746	0.67040	0.00000
2	0.67254	0.32960	0.00000
(1/2,0,1/2,0) + set click here to show and hide
3	0.82746	0.67040	0.50000
4	0.17254	0.32960	0.50000

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	M_xcos1	M_ycos1	0	-0.10420	0.15100	0.0	M_xsin1	M_ysin1	0	1.18540	-1.72300	0.0
2	M_xcos1	M_ycos1	0	-0.10420	0.15100	0.0	-M_xsin1	-M_ysin1	0	-1.18540	1.72300	0.0
(1/2,0,1/2,0) + set click here to show and hide
3	M_xcos1	M_ycos1	0	-0.10420	0.15100	0.0	M_xsin1	M_ysin1	0	1.18540	-1.72300	0.0
4	M_xcos1	M_ycos1	0	-0.10420	0.15100	0.0	-M_xsin1	-M_ysin1	0	-1.18540	1.72300	0.0

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

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mB2	1	2	primary	4

Comments:

NPD
The structure was originaly refined and reported using the parameterisation of Fourier series, implemented into FullProf software and then manually transformed to the superspace symmetry formalism.
The MSSG setting is chosen with a B centered basic unit cel, following the conventional listings of the Isotropy Suite.
Position structure from a determination at 12K

Comments (symmetry):

1k incommensurate structure

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

YbPt₅B₂ (#1.1.163)

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

YbPt5B2 (#1.1.163)

YbPt₅B₂ (#1.1.163)