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\|
Ni1	Ni	0.00000	0.00000	0.00000	8	m_x,0,m_z	-1.5(1)	0.0	-1.35(5)	2.02
Tb1	Tb	0.25000	0.00000	0.10140	16	m_x,0,m_z	0.68(6)	0.0	8.00(4)	8.03

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1	Ba	0.25000	0.50000	0.00000	8
O1	O	0.00000	0.76100	0.41250	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 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	-1.50000	0.00000	-1.35000
(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	-1.50000	0.00000	-1.35000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.50000	m_x,0,m_z	-1.50000	0.00000	-1.35000
(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	-1.50000	0.00000	-1.35000
(1/2,0,0)' + set click here to show and hide
5	0.50000	0.00000	0.00000	-m_x,0,-m_z	1.50000	0.00000	1.35000
(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	1.50000	0.00000	1.35000
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.50000	-m_x,0,-m_z	1.50000	0.00000	1.35000
(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	1.50000	0.00000	1.35000

Set of atoms in the unit cell related by symmetry with the magnetic atom Tb1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.00000	0.10140	m_x,0,m_z	0.68000	0.00000	8.00000
2	0.25000	0.00000	0.89860	-m_x,0,-m_z	-0.68000	0.00000	-8.00000
(1/4,1/2,3/4) + set click here to show and hide
3	0.50000	0.50000	0.85140	m_x,0,m_z	0.68000	0.00000	8.00000
4	0.50000	0.50000	0.64860	-m_x,0,-m_z	-0.68000	0.00000	-8.00000
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.00000	0.60140	m_x,0,m_z	0.68000	0.00000	8.00000
6	0.75000	0.00000	0.39860	-m_x,0,-m_z	-0.68000	0.00000	-8.00000
(3/4,1/2,1/4) + set click here to show and hide
7	0.00000	0.50000	0.35140	m_x,0,m_z	0.68000	0.00000	8.00000
8	0.00000	0.50000	0.14860	-m_x,0,-m_z	-0.68000	0.00000	-8.00000
(1/2,0,0)' + set click here to show and hide
9	0.75000	0.00000	0.10140	-m_x,0,-m_z	-0.68000	0.00000	-8.00000
10	0.75000	0.00000	0.89860	m_x,0,m_z	0.68000	0.00000	8.00000
(3/4,1/2,3/4)' + set click here to show and hide
11	0.00000	0.50000	0.85140	-m_x,0,-m_z	-0.68000	0.00000	-8.00000
12	0.00000	0.50000	0.64860	m_x,0,m_z	0.68000	0.00000	8.00000
(0,0,1/2)' + set click here to show and hide
13	0.25000	0.00000	0.60140	-m_x,0,-m_z	-0.68000	0.00000	-8.00000
14	0.25000	0.00000	0.39860	m_x,0,m_z	0.68000	0.00000	8.00000
(1/4,1/2,1/4)' + set click here to show and hide
15	0.50000	0.50000	0.35140	-m_x,0,-m_z	-0.68000	0.00000	-8.00000
16	0.50000	0.50000	0.14860	m_x,0,m_z	0.68000	0.00000	8.00000

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	0.76100	0.41250
2	0.50000	0.76100	0.58750
3	0.00000	0.23900	0.58750
4	0.50000	0.23900	0.41250
(1/4,1/2,3/4) + set click here to show and hide
5	0.25000	0.26100	0.16250
6	0.75000	0.26100	0.33750
7	0.25000	0.73900	0.33750
8	0.75000	0.73900	0.16250
(1/2,0,1/2) + set click here to show and hide
9	0.50000	0.76100	0.91250
10	0.00000	0.76100	0.08750
11	0.50000	0.23900	0.08750
12	0.00000	0.23900	0.91250
(3/4,1/2,1/4) + set click here to show and hide
13	0.75000	0.26100	0.66250
14	0.25000	0.26100	0.83750
15	0.75000	0.73900	0.83750
16	0.25000	0.73900	0.66250
(1/2,0,0)' + set click here to show and hide
17	0.50000	0.76100	0.41250
18	0.00000	0.76100	0.58750
19	0.50000	0.23900	0.58750
20	0.00000	0.23900	0.41250
(3/4,1/2,3/4)' + set click here to show and hide
21	0.75000	0.26100	0.16250
22	0.25000	0.26100	0.33750
23	0.75000	0.73900	0.33750
24	0.25000	0.73900	0.16250
(0,0,1/2)' + set click here to show and hide
25	0.00000	0.76100	0.91250
26	0.50000	0.76100	0.08750
27	0.00000	0.23900	0.08750
28	0.50000	0.23900	0.91250
(1/4,1/2,1/4)' + set click here to show and hide
29	0.25000	0.26100	0.66250
30	0.75000	0.26100	0.83750
31	0.25000	0.73900	0.83750
32	0.75000	0.73900	0.66250

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\|
Ni1	Ni	0.00000	0.00000	0.00000	8	m_x,0,m_z	-1.5(1)	0.0	-1.35(5)	2.02
Tb1	Tb	0.25000	0.00000	0.10140	16	m_x,0,m_z	0.68(6)	0.0	8.00(4)	8.03

[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 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	-1.50000	0.00000	-1.35000
(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	-1.50000	0.00000	-1.35000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.50000	m_x,0,m_z	-1.50000	0.00000	-1.35000
(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	-1.50000	0.00000	-1.35000
(1/2,0,0)' + set click here to show and hide
5	0.50000	0.00000	0.00000	-m_x,0,-m_z	1.50000	0.00000	1.35000
(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	1.50000	0.00000	1.35000
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.50000	-m_x,0,-m_z	1.50000	0.00000	1.35000
(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	1.50000	0.00000	1.35000

Set of atoms in the unit cell related by symmetry with the magnetic atom Tb1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.00000	0.10140	m_x,0,m_z	0.68000	0.00000	8.00000
2	0.25000	0.00000	0.89860	-m_x,0,-m_z	-0.68000	0.00000	-8.00000
(1/4,1/2,3/4) + set click here to show and hide
3	0.50000	0.50000	0.85140	m_x,0,m_z	0.68000	0.00000	8.00000
4	0.50000	0.50000	0.64860	-m_x,0,-m_z	-0.68000	0.00000	-8.00000
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.00000	0.60140	m_x,0,m_z	0.68000	0.00000	8.00000
6	0.75000	0.00000	0.39860	-m_x,0,-m_z	-0.68000	0.00000	-8.00000
(3/4,1/2,1/4) + set click here to show and hide
7	0.00000	0.50000	0.35140	m_x,0,m_z	0.68000	0.00000	8.00000
8	0.00000	0.50000	0.14860	-m_x,0,-m_z	-0.68000	0.00000	-8.00000
(1/2,0,0)' + set click here to show and hide
9	0.75000	0.00000	0.10140	-m_x,0,-m_z	-0.68000	0.00000	-8.00000
10	0.75000	0.00000	0.89860	m_x,0,m_z	0.68000	0.00000	8.00000
(3/4,1/2,3/4)' + set click here to show and hide
11	0.00000	0.50000	0.85140	-m_x,0,-m_z	-0.68000	0.00000	-8.00000
12	0.00000	0.50000	0.64860	m_x,0,m_z	0.68000	0.00000	8.00000
(0,0,1/2)' + set click here to show and hide
13	0.25000	0.00000	0.60140	-m_x,0,-m_z	-0.68000	0.00000	-8.00000
14	0.25000	0.00000	0.39860	m_x,0,m_z	0.68000	0.00000	8.00000
(1/4,1/2,1/4)' + set click here to show and hide
15	0.50000	0.50000	0.35140	-m_x,0,-m_z	-0.68000	0.00000	-8.00000
16	0.50000	0.50000	0.14860	m_x,0,m_z	0.68000	0.00000	8.00000

[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

Tb₂BaNiO₅ (#1.217)

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

Tb2BaNiO5 (#1.217)

Tb₂BaNiO₅ (#1.217)