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	{ 2₁₀₀ \| 0 }
3	-x1,x2,-x3+1/2,x4+1/2,+1	{ 2₀₁₀ \| 0 0 1/2 1/2 }
4	-x1,-x2,x3+1/2,-x4+1/2,+1	{ 2₀₀₁ \| 0 0 1/2 1/2 }
5	-x1,-x2,-x3,-x4,+1	{ -1 \| 0 }
6	-x1,x2,x3,x4,+1	{ m₁₀₀ \| 0 }
7	x1,-x2,x3+1/2,-x4+1/2,+1	{ m₀₁₀ \| 0 0 1/2 1/2 }
8	x1,x2,-x3+1/2,x4+1/2,+1	{ m₀₀₁ \| 0 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,-1	{ 2'₁₀₀ \| 0 0 0 1/2 }
11	-x1,x2,-x3+1/2,x4,-1	{ 2'₀₁₀ \| 0 0 1/2 0 }
12	-x1,-x2,x3+1/2,-x4,-1	{ 2'₀₀₁ \| 0 0 1/2 0 }
13	-x1,-x2,-x3,-x4+1/2,-1	{ -1' \| 0 0 0 1/2 }
14	-x1,x2,x3,x4+1/2,-1	{ m'₁₀₀ \| 0 0 0 1/2 }
15	x1,-x2,x3+1/2,-x4,-1	{ m'₀₁₀ \| 0 0 1/2 0 }
16	x1,x2,-x3+1/2,x4,-1	{ m'₀₀₁ \| 0 0 1/2 0 }
(1/2,1/2,0,0) + set click here to show and hide
17	x1+1/2,x2+1/2,x3,x4,+1	{ 1 \| 1/2 1/2 0 0 }
18	x1+1/2,-x2+1/2,-x3,-x4,+1	{ 2₁₀₀ \| 1/2 1/2 0 0 }
19	-x1+1/2,x2+1/2,-x3+1/2,x4+1/2,+1	{ 2₀₁₀ \| 1/2 1/2 1/2 1/2 }
20	-x1+1/2,-x2+1/2,x3+1/2,-x4+1/2,+1	{ 2₀₀₁ \| 1/2 1/2 1/2 1/2 }
21	-x1+1/2,-x2+1/2,-x3,-x4,+1	{ -1 \| 1/2 1/2 0 0 }
22	-x1+1/2,x2+1/2,x3,x4,+1	{ m₁₀₀ \| 1/2 1/2 0 0 }
23	x1+1/2,-x2+1/2,x3+1/2,-x4+1/2,+1	{ m₀₁₀ \| 1/2 1/2 1/2 1/2 }
24	x1+1/2,x2+1/2,-x3+1/2,x4+1/2,+1	{ m₀₀₁ \| 1/2 1/2 1/2 1/2 }
(1/2,1/2,0,1/2)' + set click here to show and hide
25	x1+1/2,x2+1/2,x3,x4+1/2,-1	{ 1' \| 1/2 1/2 0 1/2 }
26	x1+1/2,-x2+1/2,-x3,-x4+1/2,-1	{ 2'₁₀₀ \| 1/2 1/2 0 1/2 }
27	-x1+1/2,x2+1/2,-x3+1/2,x4,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 0 }
28	-x1+1/2,-x2+1/2,x3+1/2,-x4,-1	{ 2'₀₀₁ \| 1/2 1/2 1/2 0 }
29	-x1+1/2,-x2+1/2,-x3,-x4+1/2,-1	{ -1' \| 1/2 1/2 0 1/2 }
30	-x1+1/2,x2+1/2,x3,x4+1/2,-1	{ m'₁₀₀ \| 1/2 1/2 0 1/2 }
31	x1+1/2,-x2+1/2,x3+1/2,-x4,-1	{ m'₀₁₀ \| 1/2 1/2 1/2 0 }
32	x1+1/2,x2+1/2,-x3+1/2,x4,-1	{ m'₀₀₁ \| 1/2 1/2 1/2 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,-z,+1	2₁₀₀
3	-x,y,-z,+1	2₀₁₀
4	-x,-y,z,+1	2₀₀₁
5	-x,-y,-z,+1	-1
6	-x,y,z,+1	m₁₀₀
7	x,-y,z,+1	m₀₁₀
8	x,y,-z,+1	m₀₀₁
1' + set click here to show and hide
9	x,y,z,-1	1'
10	x,-y,-z,-1	2'₁₀₀
11	-x,y,-z,-1	2'₀₁₀
12	-x,-y,z,-1	2'₀₀₁
13	-x,-y,-z,-1	-1'
14	-x,y,z,-1	m'₁₀₀
15	x,-y,z,-1	m'₀₁₀
16	x,y,-z,-1	m'₀₀₁

Label	Atom type	x	y	z	Multiplicity
Os1_1	Os	0.25000	0.25000	0.00000	8
Al3_1	Al	0.21600	0.36380	0.25000	8
Al1_1	Al	0.35340	0.13310	0.25000	8
Al4_1	Al	0.00000	0.15590	0.59630	8
Al2_1	Al	0.00000	0.37840	0.05040	8
Al5_1	Al	0.21990	0.00000	0.00000	8

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
Nd1_1	M_xc1	0	0	0.66	0.0	0.0	M_xs1	0	0	-1.45	0.0	0.0

Atom	x	y	z
1	0.00000	0.12700	0.25000
(0,0,0,1/2)' + set click here to show and hide
2	0.00000	0.87300	0.75000
(1/2,1/2,0,0) + set click here to show and hide
3	0.50000	0.62700	0.25000
(1/2,1/2,0,1/2)' + set click here to show and hide
4	0.50000	0.37300	0.75000

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	0	0	0.66000	0.0	0.0	M_xcos1+M_ysin1	0	0	-1.45000	0.0	0.0
(0,0,0,1/2)' + set click here to show and hide
2	M_xcos1	0	0	0.66000	0.0	0.0	-M_xcos1-M_ysin1	0	0	1.45000	0.0	0.0
(1/2,1/2,0,0) + set click here to show and hide
3	M_xcos1	0	0	0.66000	0.0	0.0	M_xcos1+M_ysin1	0	0	-1.45000	0.0	0.0
(1/2,1/2,0,1/2)' + set click here to show and hide
4	M_xcos1	0	0	0.66000	0.0	0.0	-M_xcos1-M_ysin1	0	0	1.45000	0.0	0.0

Atom	x	y	z
1	0.25000	0.25000	0.00000
2	0.25000	0.75000	0.00000
(0,0,0,1/2)' + set click here to show and hide
3	0.75000	0.25000	0.50000
4	0.75000	0.75000	0.50000
(1/2,1/2,0,0) + set click here to show and hide
5	0.75000	0.75000	0.00000
6	0.75000	0.25000	0.00000
(1/2,1/2,0,1/2)' + set click here to show and hide
7	0.25000	0.75000	0.50000
8	0.25000	0.25000	0.50000

Atom	x	y	z
1	0.21600	0.36380	0.25000
2	0.21600	0.63620	0.75000
(0,0,0,1/2)' + set click here to show and hide
3	0.78400	0.36380	0.25000
4	0.78400	0.63620	0.75000
(1/2,1/2,0,0) + set click here to show and hide
5	0.71600	0.86380	0.25000
6	0.71600	0.13620	0.75000
(1/2,1/2,0,1/2)' + set click here to show and hide
7	0.28400	0.86380	0.25000
8	0.28400	0.13620	0.75000

Atom	x	y	z
1	0.35340	0.13310	0.25000
2	0.35340	0.86690	0.75000
(0,0,0,1/2)' + set click here to show and hide
3	0.64660	0.13310	0.25000
4	0.64660	0.86690	0.75000
(1/2,1/2,0,0) + set click here to show and hide
5	0.85340	0.63310	0.25000
6	0.85340	0.36690	0.75000
(1/2,1/2,0,1/2)' + set click here to show and hide
7	0.14660	0.63310	0.25000
8	0.14660	0.36690	0.75000

Atom	x	y	z
1	0.00000	0.15590	0.59630
2	0.00000	0.84410	0.40370
(0,0,0,1/2)' + set click here to show and hide
3	0.00000	0.15590	0.90370
4	0.00000	0.84410	0.09630
(1/2,1/2,0,0) + set click here to show and hide
5	0.50000	0.65590	0.59630
6	0.50000	0.34410	0.40370
(1/2,1/2,0,1/2)' + set click here to show and hide
7	0.50000	0.65590	0.90370
8	0.50000	0.34410	0.09630

Atom	x	y	z
1	0.00000	0.37840	0.05040
2	0.00000	0.62160	0.94960
(0,0,0,1/2)' + set click here to show and hide
3	0.00000	0.37840	0.44960
4	0.00000	0.62160	0.55040
(1/2,1/2,0,0) + set click here to show and hide
5	0.50000	0.87840	0.05040
6	0.50000	0.12160	0.94960
(1/2,1/2,0,1/2)' + set click here to show and hide
7	0.50000	0.87840	0.44960
8	0.50000	0.12160	0.55040

Atom	x	y	z
1	0.21990	0.00000	0.00000
2	0.78010	0.00000	0.50000
(0,0,0,1/2)' + set click here to show and hide
3	0.78010	0.00000	0.00000
4	0.21990	0.00000	0.50000
(1/2,1/2,0,0) + set click here to show and hide
5	0.71990	0.50000	0.00000
6	0.28010	0.50000	0.50000
(1/2,1/2,0,1/2)' + set click here to show and hide
7	0.28010	0.50000	0.00000
8	0.71990	0.50000	0.50000

Reference: C. Ritter, D. T. Adroja, M. D. Le, Y. Muro, T. Takabatake, J. Phys.: Condens. Matter (2021) 33 185802
DOI: 10.1088/1361-648X/abee3b
Atomic positions from: same reference

Parent space group (paramagnetic phase): Cmcm (#63)
Propagation vector: k1 (0.00000, 0.7229, 0.00000)

Transition Temperature: 2.2 K
Experiment Temperature: 1.6 K

Lattice parameters of the basic unit cell:
9.10900 10.22200 9.14100 90.00000 90.00000 90.00000
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

Magnetic Superspace Group: Cmcm1'(0,b,0)00ss
    [View symmetry operations]

Magnetic Point Group: mmm1' (8.2.25)
    [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
Nd1_1	Nd	0.00000	0.12700	0.25000	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
Nd1_1	M_xc1	0	0	0.66	0.0	0.0	M_xs1	0	0	-1.45	0.0	0.0

Atom	x	y	z
1	0.00000	0.12700	0.25000
(0,0,0,1/2)' + set click here to show and hide
2	0.00000	0.87300	0.75000
(1/2,1/2,0,0) + set click here to show and hide
3	0.50000	0.62700	0.25000
(1/2,1/2,0,1/2)' + set click here to show and hide
4	0.50000	0.37300	0.75000

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	0	0	0.66000	0.0	0.0	M_xcos1+M_ysin1	0	0	-1.45000	0.0	0.0
(0,0,0,1/2)' + set click here to show and hide
2	M_xcos1	0	0	0.66000	0.0	0.0	-M_xcos1-M_ysin1	0	0	1.45000	0.0	0.0
(1/2,1/2,0,0) + set click here to show and hide
3	M_xcos1	0	0	0.66000	0.0	0.0	M_xcos1+M_ysin1	0	0	-1.45000	0.0	0.0
(1/2,1/2,0,1/2)' + set click here to show and hide
4	M_xcos1	0	0	0.66000	0.0	0.0	-M_xcos1-M_ysin1	0	0	1.45000	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
mDT3	1	2	general	primary	2

Comments:

NPD
Positional structure from a determination at 6K.
The MSSG of the structure includes operations transforming k into -k, and its choice of origin along x4 fixes the arbitrary global phase of the modulation. This phase is here shifted about 0.274*2Pi, with respect that used in the description of the paper.
Amplitude Nd moment modulation: 1.59(1)

Comments (symmetry):

1k incommensurate magnetic structure
k-maximal symmetry
2-dim irrep

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

NdOs₂Al₁₀ (#1.1.133)

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

NdOs2Al10 (#1.1.133)

NdOs₂Al₁₀ (#1.1.133)