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	0.10135	16	m_x,0,m_z	-0.05	0.0	2.65(2)	2.65
Ni1	Ni	0.00000	0.00000	0.00000	8	m_x,0,m_z	0.9(3)	0.0	-1.30(7)	1.58

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1	Ba	0.25000	0.50000	0.00000	8
O1	O	0.00000	0.24190	0.07220	32
O2	O	0.00000	0.50000	0.25000	8

[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	0.10135	m_x,0,m_z	-0.05000	0.00000	2.65000
2	0.25000	0.00000	0.89865	-m_x,0,-m_z	0.05000	0.00000	-2.65000
(1/4,1/2,3/4) + set click here to show and hide
3	0.50000	0.50000	0.85135	m_x,0,m_z	-0.05000	0.00000	2.65000
4	0.50000	0.50000	0.64865	-m_x,0,-m_z	0.05000	0.00000	-2.65000
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.00000	0.60135	m_x,0,m_z	-0.05000	0.00000	2.65000
6	0.75000	0.00000	0.39865	-m_x,0,-m_z	0.05000	0.00000	-2.65000
(3/4,1/2,1/4) + set click here to show and hide
7	0.00000	0.50000	0.35135	m_x,0,m_z	-0.05000	0.00000	2.65000
8	0.00000	0.50000	0.14865	-m_x,0,-m_z	0.05000	0.00000	-2.65000
(1/2,0,0)' + set click here to show and hide
9	0.75000	0.00000	0.10135	-m_x,0,-m_z	0.05000	0.00000	-2.65000
10	0.75000	0.00000	0.89865	m_x,0,m_z	-0.05000	0.00000	2.65000
(3/4,1/2,3/4)' + set click here to show and hide
11	0.00000	0.50000	0.85135	-m_x,0,-m_z	0.05000	0.00000	-2.65000
12	0.00000	0.50000	0.64865	m_x,0,m_z	-0.05000	0.00000	2.65000
(0,0,1/2)' + set click here to show and hide
13	0.25000	0.00000	0.60135	-m_x,0,-m_z	0.05000	0.00000	-2.65000
14	0.25000	0.00000	0.39865	m_x,0,m_z	-0.05000	0.00000	2.65000
(1/4,1/2,1/4)' + set click here to show and hide
15	0.50000	0.50000	0.35135	-m_x,0,-m_z	0.05000	0.00000	-2.65000
16	0.50000	0.50000	0.14865	m_x,0,m_z	-0.05000	0.00000	2.65000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ni1:

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	0.90000	0.00000	-1.30000
(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	0.90000	0.00000	-1.30000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.50000	m_x,0,m_z	0.90000	0.00000	-1.30000
(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	0.90000	0.00000	-1.30000
(1/2,0,0)' + set click here to show and hide
5	0.50000	0.00000	0.00000	-m_x,0,-m_z	-0.90000	0.00000	1.30000
(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	-0.90000	0.00000	1.30000
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.50000	-m_x,0,-m_z	-0.90000	0.00000	1.30000
(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	-0.90000	0.00000	1.30000

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	0.24190	0.07220
2	0.50000	0.24190	0.92780
3	0.00000	0.75810	0.92780
4	0.50000	0.75810	0.07220
(1/4,1/2,3/4) + set click here to show and hide
5	0.25000	0.74190	0.82220
6	0.75000	0.74190	0.67780
7	0.25000	0.25810	0.67780
8	0.75000	0.25810	0.82220
(1/2,0,1/2) + set click here to show and hide
9	0.50000	0.24190	0.57220
10	0.00000	0.24190	0.42780
11	0.50000	0.75810	0.42780
12	0.00000	0.75810	0.57220
(3/4,1/2,1/4) + set click here to show and hide
13	0.75000	0.74190	0.32220
14	0.25000	0.74190	0.17780
15	0.75000	0.25810	0.17780
16	0.25000	0.25810	0.32220
(1/2,0,0)' + set click here to show and hide
17	0.50000	0.24190	0.07220
18	0.00000	0.24190	0.92780
19	0.50000	0.75810	0.92780
20	0.00000	0.75810	0.07220
(3/4,1/2,3/4)' + set click here to show and hide
21	0.75000	0.74190	0.82220
22	0.25000	0.74190	0.67780
23	0.75000	0.25810	0.67780
24	0.25000	0.25810	0.82220
(0,0,1/2)' + set click here to show and hide
25	0.00000	0.24190	0.57220
26	0.50000	0.24190	0.42780
27	0.00000	0.75810	0.42780
28	0.50000	0.75810	0.57220
(1/4,1/2,1/4)' + set click here to show and hide
29	0.25000	0.74190	0.32220
30	0.75000	0.74190	0.17780
31	0.25000	0.25810	0.17780
32	0.75000	0.25810	0.32220

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

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

[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	0.10135	16	m_x,0,m_z	-0.05	0.0	2.65(2)	2.65
Ni1	Ni	0.00000	0.00000	0.00000	8	m_x,0,m_z	0.9(3)	0.0	-1.30(7)	1.58

[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	0.10135	m_x,0,m_z	-0.05000	0.00000	2.65000
2	0.25000	0.00000	0.89865	-m_x,0,-m_z	0.05000	0.00000	-2.65000
(1/4,1/2,3/4) + set click here to show and hide
3	0.50000	0.50000	0.85135	m_x,0,m_z	-0.05000	0.00000	2.65000
4	0.50000	0.50000	0.64865	-m_x,0,-m_z	0.05000	0.00000	-2.65000
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.00000	0.60135	m_x,0,m_z	-0.05000	0.00000	2.65000
6	0.75000	0.00000	0.39865	-m_x,0,-m_z	0.05000	0.00000	-2.65000
(3/4,1/2,1/4) + set click here to show and hide
7	0.00000	0.50000	0.35135	m_x,0,m_z	-0.05000	0.00000	2.65000
8	0.00000	0.50000	0.14865	-m_x,0,-m_z	0.05000	0.00000	-2.65000
(1/2,0,0)' + set click here to show and hide
9	0.75000	0.00000	0.10135	-m_x,0,-m_z	0.05000	0.00000	-2.65000
10	0.75000	0.00000	0.89865	m_x,0,m_z	-0.05000	0.00000	2.65000
(3/4,1/2,3/4)' + set click here to show and hide
11	0.00000	0.50000	0.85135	-m_x,0,-m_z	0.05000	0.00000	-2.65000
12	0.00000	0.50000	0.64865	m_x,0,m_z	-0.05000	0.00000	2.65000
(0,0,1/2)' + set click here to show and hide
13	0.25000	0.00000	0.60135	-m_x,0,-m_z	0.05000	0.00000	-2.65000
14	0.25000	0.00000	0.39865	m_x,0,m_z	-0.05000	0.00000	2.65000
(1/4,1/2,1/4)' + set click here to show and hide
15	0.50000	0.50000	0.35135	-m_x,0,-m_z	0.05000	0.00000	-2.65000
16	0.50000	0.50000	0.14865	m_x,0,m_z	-0.05000	0.00000	2.65000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ni1:

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	0.90000	0.00000	-1.30000
(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	0.90000	0.00000	-1.30000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.50000	m_x,0,m_z	0.90000	0.00000	-1.30000
(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	0.90000	0.00000	-1.30000
(1/2,0,0)' + set click here to show and hide
5	0.50000	0.00000	0.00000	-m_x,0,-m_z	-0.90000	0.00000	1.30000
(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	-0.90000	0.00000	1.30000
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.50000	-m_x,0,-m_z	-0.90000	0.00000	1.30000
(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	-0.90000	0.00000	1.30000

[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

Nd₂BaNiO₅ (#1.216)

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

Nd2BaNiO5 (#1.216)

Nd₂BaNiO₅ (#1.216)