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+1/2,y,-z,+1	{ 2₀₁₀ \| 1/2 0 0 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x+1/2,-y,z,+1	{ m₀₁₀ \| 1/2 0 0 }
(1/4,1/2,3/4) + set click here to show and hide
5	x+1/4,y+1/2,z+3/4,+1	{ 1 \| 1/4 1/2 3/4 }
6	-x+3/4,y+1/2,-z+3/4,+1	{ 2₀₁₀ \| 3/4 1/2 3/4 }
7	-x+1/4,-y+1/2,-z+3/4,+1	{ -1 \| 1/4 1/2 3/4 }
8	x+3/4,-y+1/2,z+3/4,+1	{ m₀₁₀ \| 3/4 1/2 3/4 }
(1/2,0,1/2) + set click here to show and hide
9	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
10	-x,y,-z+1/2,+1	{ 2₀₁₀ \| 0 0 1/2 }
11	-x+1/2,-y,-z+1/2,+1	{ -1 \| 1/2 0 1/2 }
12	x,-y,z+1/2,+1	{ m₀₁₀ \| 0 0 1/2 }
(3/4,1/2,1/4) + set click here to show and hide
13	x+3/4,y+1/2,z+1/4,+1	{ 1 \| 3/4 1/2 1/4 }
14	-x+1/4,y+1/2,-z+1/4,+1	{ 2₀₁₀ \| 1/4 1/2 1/4 }
15	-x+3/4,-y+1/2,-z+1/4,+1	{ -1 \| 3/4 1/2 1/4 }
16	x+1/4,-y+1/2,z+1/4,+1	{ m₀₁₀ \| 1/4 1/2 1/4 }
(1/2,0,0)' + set click here to show and hide
17	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
18	-x,y,-z,-1	{ 2'₀₁₀ \| 0 }
19	-x+1/2,-y,-z,-1	{ -1' \| 1/2 0 0 }
20	x,-y,z,-1	{ m'₀₁₀ \| 0 }
(3/4,1/2,3/4)' + set click here to show and hide
21	x+3/4,y+1/2,z+3/4,-1	{ 1' \| 3/4 1/2 3/4 }
22	-x+1/4,y+1/2,-z+3/4,-1	{ 2'₀₁₀ \| 1/4 1/2 3/4 }
23	-x+3/4,-y+1/2,-z+3/4,-1	{ -1' \| 3/4 1/2 3/4 }
24	x+1/4,-y+1/2,z+3/4,-1	{ m'₀₁₀ \| 1/4 1/2 3/4 }
(0,0,1/2)' + set click here to show and hide
25	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
26	-x+1/2,y,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 0 1/2 }
27	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }
28	x+1/2,-y,z+1/2,-1	{ m'₀₁₀ \| 1/2 0 1/2 }
(1/4,1/2,1/4)' + set click here to show and hide
29	x+1/4,y+1/2,z+1/4,-1	{ 1' \| 1/4 1/2 1/4 }
30	-x+3/4,y+1/2,-z+1/4,-1	{ 2'₀₁₀ \| 3/4 1/2 1/4 }
31	-x+1/4,-y+1/2,-z+1/4,-1	{ -1' \| 1/4 1/2 1/4 }
32	x+3/4,-y+1/2,z+1/4,-1	{ m'₀₁₀ \| 3/4 1/2 1/4 }

[Hide]

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
3	-x,-y,-z,+1	-1
4	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,y,-z,-1	2'₀₁₀
7	-x,-y,-z,-1	-1'
8	x,-y,z,-1	m'₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Nd1	Nd	0.25000	0.00000	0.10155	16	m_x,0,m_z	0.0	0.0	2.55(4)	2.55
Co1	Co	0.00000	0.00000	0.00000	8	m_x,0,m_z	-3.04(7)	0.0	0.49(4)	3.08

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1	Ba	0.25000	0.50000	0.00000	8
O1	O	0.00000	0.50000	0.25000	8
O2	O	0.00000	0.75600	0.42700	32

[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:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.00000	0.10155	m_x,0,m_z	0.00000	0.00000	2.55000
2	0.25000	0.00000	0.89845	-m_x,0,-m_z	0.00000	0.00000	-2.55000
(1/4,1/2,3/4) + set click here to show and hide
3	0.50000	0.50000	0.85155	m_x,0,m_z	0.00000	0.00000	2.55000
4	0.50000	0.50000	0.64845	-m_x,0,-m_z	0.00000	0.00000	-2.55000
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.00000	0.60155	m_x,0,m_z	0.00000	0.00000	2.55000
6	0.75000	0.00000	0.39845	-m_x,0,-m_z	0.00000	0.00000	-2.55000
(3/4,1/2,1/4) + set click here to show and hide
7	0.00000	0.50000	0.35155	m_x,0,m_z	0.00000	0.00000	2.55000
8	0.00000	0.50000	0.14845	-m_x,0,-m_z	0.00000	0.00000	-2.55000
(1/2,0,0)' + set click here to show and hide
9	0.75000	0.00000	0.10155	-m_x,0,-m_z	0.00000	0.00000	-2.55000
10	0.75000	0.00000	0.89845	m_x,0,m_z	0.00000	0.00000	2.55000
(3/4,1/2,3/4)' + set click here to show and hide
11	0.00000	0.50000	0.85155	-m_x,0,-m_z	0.00000	0.00000	-2.55000
12	0.00000	0.50000	0.64845	m_x,0,m_z	0.00000	0.00000	2.55000
(0,0,1/2)' + set click here to show and hide
13	0.25000	0.00000	0.60155	-m_x,0,-m_z	0.00000	0.00000	-2.55000
14	0.25000	0.00000	0.39845	m_x,0,m_z	0.00000	0.00000	2.55000
(1/4,1/2,1/4)' + set click here to show and hide
15	0.50000	0.50000	0.35155	-m_x,0,-m_z	0.00000	0.00000	-2.55000
16	0.50000	0.50000	0.14845	m_x,0,m_z	0.00000	0.00000	2.55000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,0,m_z	-3.04000	0.00000	0.49000
(1/4,1/2,3/4) + set click here to show and hide
2	0.25000	0.50000	0.75000	m_x,0,m_z	-3.04000	0.00000	0.49000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.50000	m_x,0,m_z	-3.04000	0.00000	0.49000
(3/4,1/2,1/4) + set click here to show and hide
4	0.75000	0.50000	0.25000	m_x,0,m_z	-3.04000	0.00000	0.49000
(1/2,0,0)' + set click here to show and hide
5	0.50000	0.00000	0.00000	-m_x,0,-m_z	3.04000	0.00000	-0.49000
(3/4,1/2,3/4)' + set click here to show and hide
6	0.75000	0.50000	0.75000	-m_x,0,-m_z	3.04000	0.00000	-0.49000
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.50000	-m_x,0,-m_z	3.04000	0.00000	-0.49000
(1/4,1/2,1/4)' + set click here to show and hide
8	0.25000	0.50000	0.25000	-m_x,0,-m_z	3.04000	0.00000	-0.49000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ba1:

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

Set of atoms in the unit cell related by symmetry with the atom O1:

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

Set of atoms in the unit cell related by symmetry with the atom O2:

Atom	x	y	z
1	0.00000	0.75600	0.42700
2	0.50000	0.75600	0.57300
3	0.00000	0.24400	0.57300
4	0.50000	0.24400	0.42700
(1/4,1/2,3/4) + set click here to show and hide
5	0.25000	0.25600	0.17700
6	0.75000	0.25600	0.32300
7	0.25000	0.74400	0.32300
8	0.75000	0.74400	0.17700
(1/2,0,1/2) + set click here to show and hide
9	0.50000	0.75600	0.92700
10	0.00000	0.75600	0.07300
11	0.50000	0.24400	0.07300
12	0.00000	0.24400	0.92700
(3/4,1/2,1/4) + set click here to show and hide
13	0.75000	0.25600	0.67700
14	0.25000	0.25600	0.82300
15	0.75000	0.74400	0.82300
16	0.25000	0.74400	0.67700
(1/2,0,0)' + set click here to show and hide
17	0.50000	0.75600	0.42700
18	0.00000	0.75600	0.57300
19	0.50000	0.24400	0.57300
20	0.00000	0.24400	0.42700
(3/4,1/2,3/4)' + set click here to show and hide
21	0.75000	0.25600	0.17700
22	0.25000	0.25600	0.32300
23	0.75000	0.74400	0.32300
24	0.25000	0.74400	0.17700
(0,0,1/2)' + set click here to show and hide
25	0.00000	0.75600	0.92700
26	0.50000	0.75600	0.07300
27	0.00000	0.24400	0.07300
28	0.50000	0.24400	0.92700
(1/4,1/2,1/4)' + set click here to show and hide
29	0.25000	0.25600	0.67700
30	0.75000	0.25600	0.82300
31	0.25000	0.74400	0.82300
32	0.75000	0.74400	0.67700

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Nd1	Nd	0.25000	0.00000	0.10155	16	m_x,0,m_z	0.0	0.0	2.55(4)	2.55
Co1	Co	0.00000	0.00000	0.00000	8	m_x,0,m_z	-3.04(7)	0.0	0.49(4)	3.08

[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:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.00000	0.10155	m_x,0,m_z	0.00000	0.00000	2.55000
2	0.25000	0.00000	0.89845	-m_x,0,-m_z	0.00000	0.00000	-2.55000
(1/4,1/2,3/4) + set click here to show and hide
3	0.50000	0.50000	0.85155	m_x,0,m_z	0.00000	0.00000	2.55000
4	0.50000	0.50000	0.64845	-m_x,0,-m_z	0.00000	0.00000	-2.55000
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.00000	0.60155	m_x,0,m_z	0.00000	0.00000	2.55000
6	0.75000	0.00000	0.39845	-m_x,0,-m_z	0.00000	0.00000	-2.55000
(3/4,1/2,1/4) + set click here to show and hide
7	0.00000	0.50000	0.35155	m_x,0,m_z	0.00000	0.00000	2.55000
8	0.00000	0.50000	0.14845	-m_x,0,-m_z	0.00000	0.00000	-2.55000
(1/2,0,0)' + set click here to show and hide
9	0.75000	0.00000	0.10155	-m_x,0,-m_z	0.00000	0.00000	-2.55000
10	0.75000	0.00000	0.89845	m_x,0,m_z	0.00000	0.00000	2.55000
(3/4,1/2,3/4)' + set click here to show and hide
11	0.00000	0.50000	0.85155	-m_x,0,-m_z	0.00000	0.00000	-2.55000
12	0.00000	0.50000	0.64845	m_x,0,m_z	0.00000	0.00000	2.55000
(0,0,1/2)' + set click here to show and hide
13	0.25000	0.00000	0.60155	-m_x,0,-m_z	0.00000	0.00000	-2.55000
14	0.25000	0.00000	0.39845	m_x,0,m_z	0.00000	0.00000	2.55000
(1/4,1/2,1/4)' + set click here to show and hide
15	0.50000	0.50000	0.35155	-m_x,0,-m_z	0.00000	0.00000	-2.55000
16	0.50000	0.50000	0.14845	m_x,0,m_z	0.00000	0.00000	2.55000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,0,m_z	-3.04000	0.00000	0.49000
(1/4,1/2,3/4) + set click here to show and hide
2	0.25000	0.50000	0.75000	m_x,0,m_z	-3.04000	0.00000	0.49000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.50000	m_x,0,m_z	-3.04000	0.00000	0.49000
(3/4,1/2,1/4) + set click here to show and hide
4	0.75000	0.50000	0.25000	m_x,0,m_z	-3.04000	0.00000	0.49000
(1/2,0,0)' + set click here to show and hide
5	0.50000	0.00000	0.00000	-m_x,0,-m_z	3.04000	0.00000	-0.49000
(3/4,1/2,3/4)' + set click here to show and hide
6	0.75000	0.50000	0.75000	-m_x,0,-m_z	3.04000	0.00000	-0.49000
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.50000	-m_x,0,-m_z	3.04000	0.00000	-0.49000
(1/4,1/2,1/4)' + set click here to show and hide
8	0.25000	0.50000	0.25000	-m_x,0,-m_z	3.04000	0.00000	-0.49000

[Hide]

label	dim. small irrep	dim. full irrep	action	number of modes
mR2+	1	2	primary	4

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

Nd₂BaCoO₅ (#1.350)

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

Nd2BaCoO5 (#1.350)

Nd₂BaCoO₅ (#1.350)