MAGNDATA - Collection of Magnetic Structures

Symmetry operations of the magnetic space group in the setting used:

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x+2/3,-y,z,+1	{ 2₀₀₁ \| 2/3 0 0 }
3	-y,-x+1/6,z+1/4,-1	{ m'₁₁₀ \| 0 1/6 1/4 }
4	y,x+1/2,z+1/4,-1	{ m'_1-10 \| 0 1/2 1/4 }
(1/6,5/6,1/2) + set click here to show and hide
5	x+1/6,y+5/6,z+1/2,+1	{ 1 \| 1/6 5/6 1/2 }
6	-x+5/6,-y+5/6,z+1/2,+1	{ 2₀₀₁ \| 5/6 5/6 1/2 }
7	-y+1/6,-x,z+3/4,-1	{ m'₁₁₀ \| 1/6 0 3/4 }
8	y+1/6,x+1/3,z+3/4,-1	{ m'_1-10 \| 1/6 1/3 3/4 }
(1/3,2/3,0) + set click here to show and hide
9	x+1/3,y+2/3,z,+1	{ 1 \| 1/3 2/3 0 }
10	-x,-y+2/3,z,+1	{ 2₀₀₁ \| 0 2/3 0 }
11	-y+1/3,-x+5/6,z+1/4,-1	{ m'₁₁₀ \| 1/3 5/6 1/4 }
12	y+1/3,x+1/6,z+1/4,-1	{ m'_1-10 \| 1/3 1/6 1/4 }
(1/2,1/2,1/2) + set click here to show and hide
13	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
14	-x+1/6,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 1/6 1/2 1/2 }
15	-y+1/2,-x+2/3,z+3/4,-1	{ m'₁₁₀ \| 1/2 2/3 3/4 }
16	y+1/2,x,z+3/4,-1	{ m'_1-10 \| 1/2 0 3/4 }
(2/3,1/3,0) + set click here to show and hide
17	x+2/3,y+1/3,z,+1	{ 1 \| 2/3 1/3 0 }
18	-x+1/3,-y+1/3,z,+1	{ 2₀₀₁ \| 1/3 1/3 0 }
19	-y+2/3,-x+1/2,z+1/4,-1	{ m'₁₁₀ \| 2/3 1/2 1/4 }
20	y+2/3,x+5/6,z+1/4,-1	{ m'_1-10 \| 2/3 5/6 1/4 }
(5/6,1/6,1/2) + set click here to show and hide
21	x+5/6,y+1/6,z+1/2,+1	{ 1 \| 5/6 1/6 1/2 }
22	-x+1/2,-y+1/6,z+1/2,+1	{ 2₀₀₁ \| 1/2 1/6 1/2 }
23	-y+5/6,-x+1/3,z+3/4,-1	{ m'₁₁₀ \| 5/6 1/3 3/4 }
24	y+5/6,x+2/3,z+3/4,-1	{ m'_1-10 \| 5/6 2/3 3/4 }

[Hide]

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,z,+1	2₀₀₁
3	-y,-x,z,-1	m'₁₁₀
4	y,x,z,-1	m'_1-10

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Nd1_1	Nd	0.00000	0.00000	0.00000	24	m_x,m_y,m_z	0.0	0.0	-3.03(9)	3.03
Nd1_2	Nd	0.16667	0.16667	0.50000	12	0,0,m_z	0.0	0.0	3.03(9)	3.03

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ge1_1	Ge	0.00000	0.00000	0.43900	24
Ge1_2	Ge	0.16667	0.16667	0.93900	12
Al1_1	Al	0.00000	0.00000	0.60900	24
Al1_2	Al	0.16667	0.16667	0.10900	12

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

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given:

Magnetic atoms:

Set of atoms in the unit cell related by symmetry with the magnetic atom Nd1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_y,m_z	0.00000	0.00000	-3.03000
2	0.66667	0.00000	0.00000	-m_x,-m_y,m_z	0.00000	0.00000	-3.03000
3	0.00000	0.16667	0.25000	-m_y,-m_x,m_z	0.00000	0.00000	-3.03000
4	0.00000	0.50000	0.25000	m_y,m_x,m_z	0.00000	0.00000	-3.03000
(1/6,5/6,1/2) + set click here to show and hide
5	0.16667	0.83333	0.50000	m_x,m_y,m_z	0.00000	0.00000	-3.03000
6	0.83333	0.83333	0.50000	-m_x,-m_y,m_z	0.00000	0.00000	-3.03000
7	0.16667	0.00000	0.75000	-m_y,-m_x,m_z	0.00000	0.00000	-3.03000
8	0.16667	0.33333	0.75000	m_y,m_x,m_z	0.00000	0.00000	-3.03000
(1/3,2/3,0) + set click here to show and hide
9	0.33333	0.66667	0.00000	m_x,m_y,m_z	0.00000	0.00000	-3.03000
10	0.00000	0.66667	0.00000	-m_x,-m_y,m_z	0.00000	0.00000	-3.03000
11	0.33333	0.83333	0.25000	-m_y,-m_x,m_z	0.00000	0.00000	-3.03000
12	0.33333	0.16667	0.25000	m_y,m_x,m_z	0.00000	0.00000	-3.03000
(1/2,1/2,1/2) + set click here to show and hide
13	0.50000	0.50000	0.50000	m_x,m_y,m_z	0.00000	0.00000	-3.03000
14	0.16667	0.50000	0.50000	-m_x,-m_y,m_z	0.00000	0.00000	-3.03000
15	0.50000	0.66667	0.75000	-m_y,-m_x,m_z	0.00000	0.00000	-3.03000
16	0.50000	0.00000	0.75000	m_y,m_x,m_z	0.00000	0.00000	-3.03000
(2/3,1/3,0) + set click here to show and hide
17	0.66667	0.33333	0.00000	m_x,m_y,m_z	0.00000	0.00000	-3.03000
18	0.33333	0.33333	0.00000	-m_x,-m_y,m_z	0.00000	0.00000	-3.03000
19	0.66667	0.50000	0.25000	-m_y,-m_x,m_z	0.00000	0.00000	-3.03000
20	0.66667	0.83333	0.25000	m_y,m_x,m_z	0.00000	0.00000	-3.03000
(5/6,1/6,1/2) + set click here to show and hide
21	0.83333	0.16667	0.50000	m_x,m_y,m_z	0.00000	0.00000	-3.03000
22	0.50000	0.16667	0.50000	-m_x,-m_y,m_z	0.00000	0.00000	-3.03000
23	0.83333	0.33333	0.75000	-m_y,-m_x,m_z	0.00000	0.00000	-3.03000
24	0.83333	0.66667	0.75000	m_y,m_x,m_z	0.00000	0.00000	-3.03000

Set of atoms in the unit cell related by symmetry with the magnetic atom Nd1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.16667	0.16667	0.50000	0,0,m_z	0.00000	0.00000	3.03000
2	0.83333	0.00000	0.75000	0,0,m_z	0.00000	0.00000	3.03000
(1/6,5/6,1/2) + set click here to show and hide
3	0.33334	0.00000	0.00000	0,0,m_z	0.00000	0.00000	3.03000
4	0.00000	0.83333	0.25000	0,0,m_z	0.00000	0.00000	3.03000
(1/3,2/3,0) + set click here to show and hide
5	0.50000	0.83334	0.50000	0,0,m_z	0.00000	0.00000	3.03000
6	0.16666	0.66667	0.75000	0,0,m_z	0.00000	0.00000	3.03000
(1/2,1/2,1/2) + set click here to show and hide
7	0.66667	0.66667	0.00000	0,0,m_z	0.00000	0.00000	3.03000
8	0.33333	0.50000	0.25000	0,0,m_z	0.00000	0.00000	3.03000
(2/3,1/3,0) + set click here to show and hide
9	0.83334	0.50000	0.50000	0,0,m_z	0.00000	0.00000	3.03000
10	0.50000	0.33333	0.75000	0,0,m_z	0.00000	0.00000	3.03000
(5/6,1/6,1/2) + set click here to show and hide
11	0.00000	0.33334	0.00000	0,0,m_z	0.00000	0.00000	3.03000
12	0.66666	0.16667	0.25000	0,0,m_z	0.00000	0.00000	3.03000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ge1_1:

Atom	x	y	z
1	0.00000	0.00000	0.43900
2	0.66667	0.00000	0.43900
3	0.00000	0.16667	0.68900
4	0.00000	0.50000	0.68900
(1/6,5/6,1/2) + set click here to show and hide
5	0.16667	0.83333	0.93900
6	0.83333	0.83333	0.93900
7	0.16667	0.00000	0.18900
8	0.16667	0.33333	0.18900
(1/3,2/3,0) + set click here to show and hide
9	0.33333	0.66667	0.43900
10	0.00000	0.66667	0.43900
11	0.33333	0.83333	0.68900
12	0.33333	0.16667	0.68900
(1/2,1/2,1/2) + set click here to show and hide
13	0.50000	0.50000	0.93900
14	0.16667	0.50000	0.93900
15	0.50000	0.66667	0.18900
16	0.50000	0.00000	0.18900
(2/3,1/3,0) + set click here to show and hide
17	0.66667	0.33333	0.43900
18	0.33333	0.33333	0.43900
19	0.66667	0.50000	0.68900
20	0.66667	0.83333	0.68900
(5/6,1/6,1/2) + set click here to show and hide
21	0.83333	0.16667	0.93900
22	0.50000	0.16667	0.93900
23	0.83333	0.33333	0.18900
24	0.83333	0.66667	0.18900

Set of atoms in the unit cell related by symmetry with the atom Ge1_2:

Atom	x	y	z
1	0.16667	0.16667	0.93900
2	0.83333	0.00000	0.18900
(1/6,5/6,1/2) + set click here to show and hide
3	0.33334	0.00000	0.43900
4	0.00000	0.83333	0.68900
(1/3,2/3,0) + set click here to show and hide
5	0.50000	0.83334	0.93900
6	0.16666	0.66667	0.18900
(1/2,1/2,1/2) + set click here to show and hide
7	0.66667	0.66667	0.43900
8	0.33333	0.50000	0.68900
(2/3,1/3,0) + set click here to show and hide
9	0.83334	0.50000	0.93900
10	0.50000	0.33333	0.18900
(5/6,1/6,1/2) + set click here to show and hide
11	0.00000	0.33334	0.43900
12	0.66666	0.16667	0.68900

Set of atoms in the unit cell related by symmetry with the atom Al1_1:

Atom	x	y	z
1	0.00000	0.00000	0.60900
2	0.66667	0.00000	0.60900
3	0.00000	0.16667	0.85900
4	0.00000	0.50000	0.85900
(1/6,5/6,1/2) + set click here to show and hide
5	0.16667	0.83333	0.10900
6	0.83333	0.83333	0.10900
7	0.16667	0.00000	0.35900
8	0.16667	0.33333	0.35900
(1/3,2/3,0) + set click here to show and hide
9	0.33333	0.66667	0.60900
10	0.00000	0.66667	0.60900
11	0.33333	0.83333	0.85900
12	0.33333	0.16667	0.85900
(1/2,1/2,1/2) + set click here to show and hide
13	0.50000	0.50000	0.10900
14	0.16667	0.50000	0.10900
15	0.50000	0.66667	0.35900
16	0.50000	0.00000	0.35900
(2/3,1/3,0) + set click here to show and hide
17	0.66667	0.33333	0.60900
18	0.33333	0.33333	0.60900
19	0.66667	0.50000	0.85900
20	0.66667	0.83333	0.85900
(5/6,1/6,1/2) + set click here to show and hide
21	0.83333	0.16667	0.10900
22	0.50000	0.16667	0.10900
23	0.83333	0.33333	0.35900
24	0.83333	0.66667	0.35900

Set of atoms in the unit cell related by symmetry with the atom Al1_2:

Atom	x	y	z
1	0.16667	0.16667	0.10900
2	0.83333	0.00000	0.35900
(1/6,5/6,1/2) + set click here to show and hide
3	0.33334	0.00000	0.60900
4	0.00000	0.83333	0.85900
(1/3,2/3,0) + set click here to show and hide
5	0.50000	0.83334	0.10900
6	0.16666	0.66667	0.35900
(1/2,1/2,1/2) + set click here to show and hide
7	0.66667	0.66667	0.60900
8	0.33333	0.50000	0.85900
(2/3,1/3,0) + set click here to show and hide
9	0.83334	0.50000	0.10900
10	0.50000	0.33333	0.35900
(5/6,1/6,1/2) + set click here to show and hide
11	0.00000	0.33334	0.60900
12	0.66666	0.16667	0.85900

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Nd1_1	Nd	0.00000	0.00000	0.00000	24	m_x,m_y,m_z	0.0	0.0	-3.03(9)	3.03
Nd1_2	Nd	0.16667	0.16667	0.50000	12	0,0,m_z	0.0	0.0	3.03(9)	3.03

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

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given:

Set of atoms in the unit cell related by symmetry with the magnetic atom Nd1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_y,m_z	0.00000	0.00000	-3.03000
2	0.66667	0.00000	0.00000	-m_x,-m_y,m_z	0.00000	0.00000	-3.03000
3	0.00000	0.16667	0.25000	-m_y,-m_x,m_z	0.00000	0.00000	-3.03000
4	0.00000	0.50000	0.25000	m_y,m_x,m_z	0.00000	0.00000	-3.03000
(1/6,5/6,1/2) + set click here to show and hide
5	0.16667	0.83333	0.50000	m_x,m_y,m_z	0.00000	0.00000	-3.03000
6	0.83333	0.83333	0.50000	-m_x,-m_y,m_z	0.00000	0.00000	-3.03000
7	0.16667	0.00000	0.75000	-m_y,-m_x,m_z	0.00000	0.00000	-3.03000
8	0.16667	0.33333	0.75000	m_y,m_x,m_z	0.00000	0.00000	-3.03000
(1/3,2/3,0) + set click here to show and hide
9	0.33333	0.66667	0.00000	m_x,m_y,m_z	0.00000	0.00000	-3.03000
10	0.00000	0.66667	0.00000	-m_x,-m_y,m_z	0.00000	0.00000	-3.03000
11	0.33333	0.83333	0.25000	-m_y,-m_x,m_z	0.00000	0.00000	-3.03000
12	0.33333	0.16667	0.25000	m_y,m_x,m_z	0.00000	0.00000	-3.03000
(1/2,1/2,1/2) + set click here to show and hide
13	0.50000	0.50000	0.50000	m_x,m_y,m_z	0.00000	0.00000	-3.03000
14	0.16667	0.50000	0.50000	-m_x,-m_y,m_z	0.00000	0.00000	-3.03000
15	0.50000	0.66667	0.75000	-m_y,-m_x,m_z	0.00000	0.00000	-3.03000
16	0.50000	0.00000	0.75000	m_y,m_x,m_z	0.00000	0.00000	-3.03000
(2/3,1/3,0) + set click here to show and hide
17	0.66667	0.33333	0.00000	m_x,m_y,m_z	0.00000	0.00000	-3.03000
18	0.33333	0.33333	0.00000	-m_x,-m_y,m_z	0.00000	0.00000	-3.03000
19	0.66667	0.50000	0.25000	-m_y,-m_x,m_z	0.00000	0.00000	-3.03000
20	0.66667	0.83333	0.25000	m_y,m_x,m_z	0.00000	0.00000	-3.03000
(5/6,1/6,1/2) + set click here to show and hide
21	0.83333	0.16667	0.50000	m_x,m_y,m_z	0.00000	0.00000	-3.03000
22	0.50000	0.16667	0.50000	-m_x,-m_y,m_z	0.00000	0.00000	-3.03000
23	0.83333	0.33333	0.75000	-m_y,-m_x,m_z	0.00000	0.00000	-3.03000
24	0.83333	0.66667	0.75000	m_y,m_x,m_z	0.00000	0.00000	-3.03000

Set of atoms in the unit cell related by symmetry with the magnetic atom Nd1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.16667	0.16667	0.50000	0,0,m_z	0.00000	0.00000	3.03000
2	0.83333	0.00000	0.75000	0,0,m_z	0.00000	0.00000	3.03000
(1/6,5/6,1/2) + set click here to show and hide
3	0.33334	0.00000	0.00000	0,0,m_z	0.00000	0.00000	3.03000
4	0.00000	0.83333	0.25000	0,0,m_z	0.00000	0.00000	3.03000
(1/3,2/3,0) + set click here to show and hide
5	0.50000	0.83334	0.50000	0,0,m_z	0.00000	0.00000	3.03000
6	0.16666	0.66667	0.75000	0,0,m_z	0.00000	0.00000	3.03000
(1/2,1/2,1/2) + set click here to show and hide
7	0.66667	0.66667	0.00000	0,0,m_z	0.00000	0.00000	3.03000
8	0.33333	0.50000	0.25000	0,0,m_z	0.00000	0.00000	3.03000
(2/3,1/3,0) + set click here to show and hide
9	0.83334	0.50000	0.50000	0,0,m_z	0.00000	0.00000	3.03000
10	0.50000	0.33333	0.75000	0,0,m_z	0.00000	0.00000	3.03000
(5/6,1/6,1/2) + set click here to show and hide
11	0.00000	0.33334	0.00000	0,0,m_z	0.00000	0.00000	3.03000
12	0.66666	0.16667	0.25000	0,0,m_z	0.00000	0.00000	3.03000

[Hide]

label	dim. full irrep	dim. small irrep	direction	action	number of modes	presence
mDT1	4	1	special	primary	3
mGM4	1	1		secondary	1	yes

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

NdAlGe (#1.0.57)