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

[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\|
Dy1	Dy	0.25000	0.00000	0.10161	16	m_x,0,m_z	0.06(9)	0.0	7.70(5)	7.70
Ni1	Ni	0.00000	0.00000	0.00000	8	m_x,0,m_z	0.4(2)	0.0	1.29(7)	1.35

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1	Ba	0.25000	0.50000	0.00000	8
O1	O	0.00000	0.24120	0.07425	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 Dy1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.00000	0.10161	m_x,0,m_z	0.06000	0.00000	7.70000
2	0.75000	0.00000	0.39839	-m_x,0,-m_z	-0.06000	0.00000	-7.70000
(1/4,1/2,3/4) + set click here to show and hide
3	0.50000	0.50000	0.85161	m_x,0,m_z	0.06000	0.00000	7.70000
4	0.00000	0.50000	0.14839	-m_x,0,-m_z	-0.06000	0.00000	-7.70000
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.00000	0.60161	m_x,0,m_z	0.06000	0.00000	7.70000
6	0.25000	0.00000	0.89839	-m_x,0,-m_z	-0.06000	0.00000	-7.70000
(3/4,1/2,1/4) + set click here to show and hide
7	0.00000	0.50000	0.35161	m_x,0,m_z	0.06000	0.00000	7.70000
8	0.50000	0.50000	0.64839	-m_x,0,-m_z	-0.06000	0.00000	-7.70000
(1/2,0,0)' + set click here to show and hide
9	0.75000	0.00000	0.10161	-m_x,0,-m_z	-0.06000	0.00000	-7.70000
10	0.25000	0.00000	0.39839	m_x,0,m_z	0.06000	0.00000	7.70000
(3/4,1/2,3/4)' + set click here to show and hide
11	0.00000	0.50000	0.85161	-m_x,0,-m_z	-0.06000	0.00000	-7.70000
12	0.50000	0.50000	0.14839	m_x,0,m_z	0.06000	0.00000	7.70000
(1/4,1/2,1/4)' + set click here to show and hide
13	0.50000	0.50000	0.35161	-m_x,0,-m_z	-0.06000	0.00000	-7.70000
14	0.00000	0.50000	0.64839	m_x,0,m_z	0.06000	0.00000	7.70000
(0,0,1/2)' + set click here to show and hide
15	0.25000	0.00000	0.60161	-m_x,0,-m_z	-0.06000	0.00000	-7.70000
16	0.75000	0.00000	0.89839	m_x,0,m_z	0.06000	0.00000	7.70000

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	0.40000	0.00000	1.29000
(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	0.40000	0.00000	1.29000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.50000	m_x,0,m_z	0.40000	0.00000	1.29000
(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	0.40000	0.00000	1.29000
(1/2,0,0)' + set click here to show and hide
5	0.50000	0.00000	0.00000	-m_x,0,-m_z	-0.40000	0.00000	-1.29000
(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	-0.40000	0.00000	-1.29000
(1/4,1/2,1/4)' + set click here to show and hide
7	0.25000	0.50000	0.25000	-m_x,0,-m_z	-0.40000	0.00000	-1.29000
(0,0,1/2)' + set click here to show and hide
8	0.00000	0.00000	0.50000	-m_x,0,-m_z	-0.40000	0.00000	-1.29000

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
(1/4,1/2,1/4)' + set click here to show and hide
7	0.50000	0.00000	0.25000
(0,0,1/2)' + set click here to show and hide
8	0.25000	0.50000	0.50000

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

Atom	x	y	z
1	0.00000	0.24120	0.07425
2	0.00000	0.24120	0.42575
3	0.00000	0.75880	0.92575
4	0.00000	0.75880	0.57425
(1/4,1/2,3/4) + set click here to show and hide
5	0.25000	0.74120	0.82425
6	0.25000	0.74120	0.17575
7	0.25000	0.25880	0.67575
8	0.25000	0.25880	0.32425
(1/2,0,1/2) + set click here to show and hide
9	0.50000	0.24120	0.57425
10	0.50000	0.24120	0.92575
11	0.50000	0.75880	0.42575
12	0.50000	0.75880	0.07425
(3/4,1/2,1/4) + set click here to show and hide
13	0.75000	0.74120	0.32425
14	0.75000	0.74120	0.67575
15	0.75000	0.25880	0.17575
16	0.75000	0.25880	0.82425
(1/2,0,0)' + set click here to show and hide
17	0.50000	0.24120	0.07425
18	0.50000	0.24120	0.42575
19	0.50000	0.75880	0.92575
20	0.50000	0.75880	0.57425
(3/4,1/2,3/4)' + set click here to show and hide
21	0.75000	0.74120	0.82425
22	0.75000	0.74120	0.17575
23	0.75000	0.25880	0.67575
24	0.75000	0.25880	0.32425
(1/4,1/2,1/4)' + set click here to show and hide
25	0.25000	0.74120	0.32425
26	0.25000	0.74120	0.67575
27	0.25000	0.25880	0.17575
28	0.25000	0.25880	0.82425
(0,0,1/2)' + set click here to show and hide
29	0.00000	0.24120	0.57425
30	0.00000	0.24120	0.92575
31	0.00000	0.75880	0.42575
32	0.00000	0.75880	0.07425

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
(1/4,1/2,1/4)' + set click here to show and hide
7	0.25000	0.00000	0.50000
(0,0,1/2)' + set click here to show and hide
8	0.00000	0.50000	0.75000

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Dy1	Dy	0.25000	0.00000	0.10161	16	m_x,0,m_z	0.06(9)	0.0	7.70(5)	7.70
Ni1	Ni	0.00000	0.00000	0.00000	8	m_x,0,m_z	0.4(2)	0.0	1.29(7)	1.35

[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 Dy1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.00000	0.10161	m_x,0,m_z	0.06000	0.00000	7.70000
2	0.75000	0.00000	0.39839	-m_x,0,-m_z	-0.06000	0.00000	-7.70000
(1/4,1/2,3/4) + set click here to show and hide
3	0.50000	0.50000	0.85161	m_x,0,m_z	0.06000	0.00000	7.70000
4	0.00000	0.50000	0.14839	-m_x,0,-m_z	-0.06000	0.00000	-7.70000
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.00000	0.60161	m_x,0,m_z	0.06000	0.00000	7.70000
6	0.25000	0.00000	0.89839	-m_x,0,-m_z	-0.06000	0.00000	-7.70000
(3/4,1/2,1/4) + set click here to show and hide
7	0.00000	0.50000	0.35161	m_x,0,m_z	0.06000	0.00000	7.70000
8	0.50000	0.50000	0.64839	-m_x,0,-m_z	-0.06000	0.00000	-7.70000
(1/2,0,0)' + set click here to show and hide
9	0.75000	0.00000	0.10161	-m_x,0,-m_z	-0.06000	0.00000	-7.70000
10	0.25000	0.00000	0.39839	m_x,0,m_z	0.06000	0.00000	7.70000
(3/4,1/2,3/4)' + set click here to show and hide
11	0.00000	0.50000	0.85161	-m_x,0,-m_z	-0.06000	0.00000	-7.70000
12	0.50000	0.50000	0.14839	m_x,0,m_z	0.06000	0.00000	7.70000
(1/4,1/2,1/4)' + set click here to show and hide
13	0.50000	0.50000	0.35161	-m_x,0,-m_z	-0.06000	0.00000	-7.70000
14	0.00000	0.50000	0.64839	m_x,0,m_z	0.06000	0.00000	7.70000
(0,0,1/2)' + set click here to show and hide
15	0.25000	0.00000	0.60161	-m_x,0,-m_z	-0.06000	0.00000	-7.70000
16	0.75000	0.00000	0.89839	m_x,0,m_z	0.06000	0.00000	7.70000

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	0.40000	0.00000	1.29000
(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	0.40000	0.00000	1.29000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.50000	m_x,0,m_z	0.40000	0.00000	1.29000
(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	0.40000	0.00000	1.29000
(1/2,0,0)' + set click here to show and hide
5	0.50000	0.00000	0.00000	-m_x,0,-m_z	-0.40000	0.00000	-1.29000
(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	-0.40000	0.00000	-1.29000
(1/4,1/2,1/4)' + set click here to show and hide
7	0.25000	0.50000	0.25000	-m_x,0,-m_z	-0.40000	0.00000	-1.29000
(0,0,1/2)' + set click here to show and hide
8	0.00000	0.00000	0.50000	-m_x,0,-m_z	-0.40000	0.00000	-1.29000

[Hide]

label	dim. small irrep	dim. full irrep	action
mR2+	1	2	primary

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

Dy₂BaNiO₅ (#1.36)

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

Dy2BaNiO5 (#1.36)

Dy₂BaNiO₅ (#1.36)