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	{ -1 \| 0 }
(1/4,1/2,3/4) + set click here to show and hide
3	x+1/4,y+1/2,z+3/4,+1	{ 1 \| 1/4 1/2 3/4 }
4	-x+1/4,-y+1/2,-z+3/4,+1	{ -1 \| 1/4 1/2 3/4 }
(1/2,0,1/2) + set click here to show and hide
5	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
6	-x+1/2,-y,-z+1/2,+1	{ -1 \| 1/2 0 1/2 }
(3/4,1/2,1/4) + set click here to show and hide
7	x+3/4,y+1/2,z+1/4,+1	{ 1 \| 3/4 1/2 1/4 }
8	-x+3/4,-y+1/2,-z+1/4,+1	{ -1 \| 3/4 1/2 1/4 }
(1/4,1/2,1/4)' + set click here to show and hide
9	x+1/4,y+1/2,z+1/4,-1	{ 1' \| 1/4 1/2 1/4 }
10	-x+1/4,-y+1/2,-z+1/4,-1	{ -1' \| 1/4 1/2 1/4 }
(1/2,0,0)' + set click here to show and hide
11	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
12	-x+1/2,-y,-z,-1	{ -1' \| 1/2 0 0 }
(3/4,1/2,3/4)' + set click here to show and hide
13	x+3/4,y+1/2,z+3/4,-1	{ 1' \| 3/4 1/2 3/4 }
14	-x+3/4,-y+1/2,-z+3/4,-1	{ -1' \| 3/4 1/2 3/4 }
(0,0,1/2)' + set click here to show and hide
15	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
16	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,-z,+1	-1
1' + set click here to show and hide
3	x,y,z,-1	1'
4	-x,-y,-z,-1	-1'

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Tm1	Tm	0.25000	0.00000	0.10165	16	m_x,m_y,m_z	-0.6(2)	3.24(7)	-0.5(4)	3.33
Ni1	Ni	0.00000	0.00000	0.00000	8	m_x,m_y,m_z	0.3(5)	-1.1(1)	0.14(5)	1.15

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1	Ba	0.25000	0.50000	0.00000	8
O1_1	O	0.00000	0.23990	0.07495	16
O1_2	O	0.00000	0.76010	0.07495	16
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 Tm1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.00000	0.10165	m_x,m_y,m_z	-0.60000	3.24000	-0.50000
2	0.75000	0.00000	0.89835	m_x,m_y,m_z	-0.60000	3.24000	-0.50000
(1/4,1/2,3/4) + set click here to show and hide
3	0.50000	0.50000	0.85165	m_x,m_y,m_z	-0.60000	3.24000	-0.50000
4	0.00000	0.50000	0.64835	m_x,m_y,m_z	-0.60000	3.24000	-0.50000
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.00000	0.60165	m_x,m_y,m_z	-0.60000	3.24000	-0.50000
6	0.25000	0.00000	0.39835	m_x,m_y,m_z	-0.60000	3.24000	-0.50000
(3/4,1/2,1/4) + set click here to show and hide
7	0.00000	0.50000	0.35165	m_x,m_y,m_z	-0.60000	3.24000	-0.50000
8	0.50000	0.50000	0.14835	m_x,m_y,m_z	-0.60000	3.24000	-0.50000
(1/4,1/2,1/4)' + set click here to show and hide
9	0.50000	0.50000	0.35165	-m_x,-m_y,-m_z	0.60000	-3.24000	0.50000
10	0.00000	0.50000	0.14835	-m_x,-m_y,-m_z	0.60000	-3.24000	0.50000
(1/2,0,0)' + set click here to show and hide
11	0.75000	0.00000	0.10165	-m_x,-m_y,-m_z	0.60000	-3.24000	0.50000
12	0.25000	0.00000	0.89835	-m_x,-m_y,-m_z	0.60000	-3.24000	0.50000
(3/4,1/2,3/4)' + set click here to show and hide
13	0.00000	0.50000	0.85165	-m_x,-m_y,-m_z	0.60000	-3.24000	0.50000
14	0.50000	0.50000	0.64835	-m_x,-m_y,-m_z	0.60000	-3.24000	0.50000
(0,0,1/2)' + set click here to show and hide
15	0.25000	0.00000	0.60165	-m_x,-m_y,-m_z	0.60000	-3.24000	0.50000
16	0.75000	0.00000	0.39835	-m_x,-m_y,-m_z	0.60000	-3.24000	0.50000

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,m_y,m_z	0.30000	-1.10000	0.14000
(1/4,1/2,3/4) + set click here to show and hide
2	0.25000	0.50000	0.75000	m_x,m_y,m_z	0.30000	-1.10000	0.14000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.50000	m_x,m_y,m_z	0.30000	-1.10000	0.14000
(3/4,1/2,1/4) + set click here to show and hide
4	0.75000	0.50000	0.25000	m_x,m_y,m_z	0.30000	-1.10000	0.14000
(1/4,1/2,1/4)' + set click here to show and hide
5	0.25000	0.50000	0.25000	-m_x,-m_y,-m_z	-0.30000	1.10000	-0.14000
(1/2,0,0)' + set click here to show and hide
6	0.50000	0.00000	0.00000	-m_x,-m_y,-m_z	-0.30000	1.10000	-0.14000
(3/4,1/2,3/4)' + set click here to show and hide
7	0.75000	0.50000	0.75000	-m_x,-m_y,-m_z	-0.30000	1.10000	-0.14000
(0,0,1/2)' + set click here to show and hide
8	0.00000	0.00000	0.50000	-m_x,-m_y,-m_z	-0.30000	1.10000	-0.14000

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
(1/4,1/2,1/4)' + set click here to show and hide
5	0.50000	0.00000	0.25000
(1/2,0,0)' + set click here to show and hide
6	0.75000	0.50000	0.00000
(3/4,1/2,3/4)' + set click here to show and hide
7	0.00000	0.00000	0.75000
(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_1:

Atom	x	y	z
1	0.00000	0.23990	0.07495
2	0.00000	0.76010	0.92505
(1/4,1/2,3/4) + set click here to show and hide
3	0.25000	0.73990	0.82495
4	0.25000	0.26010	0.67505
(1/2,0,1/2) + set click here to show and hide
5	0.50000	0.23990	0.57495
6	0.50000	0.76010	0.42505
(3/4,1/2,1/4) + set click here to show and hide
7	0.75000	0.73990	0.32495
8	0.75000	0.26010	0.17505
(1/4,1/2,1/4)' + set click here to show and hide
9	0.25000	0.73990	0.32495
10	0.25000	0.26010	0.17505
(1/2,0,0)' + set click here to show and hide
11	0.50000	0.23990	0.07495
12	0.50000	0.76010	0.92505
(3/4,1/2,3/4)' + set click here to show and hide
13	0.75000	0.73990	0.82495
14	0.75000	0.26010	0.67505
(0,0,1/2)' + set click here to show and hide
15	0.00000	0.23990	0.57495
16	0.00000	0.76010	0.42505

Set of atoms in the unit cell related by symmetry with the atom O1_2:

Atom	x	y	z
1	0.00000	0.76010	0.07495
2	0.00000	0.23990	0.92505
(1/4,1/2,3/4) + set click here to show and hide
3	0.25000	0.26010	0.82495
4	0.25000	0.73990	0.67505
(1/2,0,1/2) + set click here to show and hide
5	0.50000	0.76010	0.57495
6	0.50000	0.23990	0.42505
(3/4,1/2,1/4) + set click here to show and hide
7	0.75000	0.26010	0.32495
8	0.75000	0.73990	0.17505
(1/4,1/2,1/4)' + set click here to show and hide
9	0.25000	0.26010	0.32495
10	0.25000	0.73990	0.17505
(1/2,0,0)' + set click here to show and hide
11	0.50000	0.76010	0.07495
12	0.50000	0.23990	0.92505
(3/4,1/2,3/4)' + set click here to show and hide
13	0.75000	0.26010	0.82495
14	0.75000	0.73990	0.67505
(0,0,1/2)' + set click here to show and hide
15	0.00000	0.76010	0.57495
16	0.00000	0.23990	0.42505

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
(1/4,1/2,1/4)' + set click here to show and hide
5	0.25000	0.00000	0.50000
(1/2,0,0)' + set click here to show and hide
6	0.50000	0.50000	0.25000
(3/4,1/2,3/4)' + set click here to show and hide
7	0.75000	0.00000	0.00000
(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\|
Tm1	Tm	0.25000	0.00000	0.10165	16	m_x,m_y,m_z	-0.6(2)	3.24(7)	-0.5(4)	3.33
Ni1	Ni	0.00000	0.00000	0.00000	8	m_x,m_y,m_z	0.3(5)	-1.1(1)	0.14(5)	1.15

[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 Tm1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.00000	0.10165	m_x,m_y,m_z	-0.60000	3.24000	-0.50000
2	0.75000	0.00000	0.89835	m_x,m_y,m_z	-0.60000	3.24000	-0.50000
(1/4,1/2,3/4) + set click here to show and hide
3	0.50000	0.50000	0.85165	m_x,m_y,m_z	-0.60000	3.24000	-0.50000
4	0.00000	0.50000	0.64835	m_x,m_y,m_z	-0.60000	3.24000	-0.50000
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.00000	0.60165	m_x,m_y,m_z	-0.60000	3.24000	-0.50000
6	0.25000	0.00000	0.39835	m_x,m_y,m_z	-0.60000	3.24000	-0.50000
(3/4,1/2,1/4) + set click here to show and hide
7	0.00000	0.50000	0.35165	m_x,m_y,m_z	-0.60000	3.24000	-0.50000
8	0.50000	0.50000	0.14835	m_x,m_y,m_z	-0.60000	3.24000	-0.50000
(1/4,1/2,1/4)' + set click here to show and hide
9	0.50000	0.50000	0.35165	-m_x,-m_y,-m_z	0.60000	-3.24000	0.50000
10	0.00000	0.50000	0.14835	-m_x,-m_y,-m_z	0.60000	-3.24000	0.50000
(1/2,0,0)' + set click here to show and hide
11	0.75000	0.00000	0.10165	-m_x,-m_y,-m_z	0.60000	-3.24000	0.50000
12	0.25000	0.00000	0.89835	-m_x,-m_y,-m_z	0.60000	-3.24000	0.50000
(3/4,1/2,3/4)' + set click here to show and hide
13	0.00000	0.50000	0.85165	-m_x,-m_y,-m_z	0.60000	-3.24000	0.50000
14	0.50000	0.50000	0.64835	-m_x,-m_y,-m_z	0.60000	-3.24000	0.50000
(0,0,1/2)' + set click here to show and hide
15	0.25000	0.00000	0.60165	-m_x,-m_y,-m_z	0.60000	-3.24000	0.50000
16	0.75000	0.00000	0.39835	-m_x,-m_y,-m_z	0.60000	-3.24000	0.50000

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,m_y,m_z	0.30000	-1.10000	0.14000
(1/4,1/2,3/4) + set click here to show and hide
2	0.25000	0.50000	0.75000	m_x,m_y,m_z	0.30000	-1.10000	0.14000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.50000	m_x,m_y,m_z	0.30000	-1.10000	0.14000
(3/4,1/2,1/4) + set click here to show and hide
4	0.75000	0.50000	0.25000	m_x,m_y,m_z	0.30000	-1.10000	0.14000
(1/4,1/2,1/4)' + set click here to show and hide
5	0.25000	0.50000	0.25000	-m_x,-m_y,-m_z	-0.30000	1.10000	-0.14000
(1/2,0,0)' + set click here to show and hide
6	0.50000	0.00000	0.00000	-m_x,-m_y,-m_z	-0.30000	1.10000	-0.14000
(3/4,1/2,3/4)' + set click here to show and hide
7	0.75000	0.50000	0.75000	-m_x,-m_y,-m_z	-0.30000	1.10000	-0.14000
(0,0,1/2)' + set click here to show and hide
8	0.00000	0.00000	0.50000	-m_x,-m_y,-m_z	-0.30000	1.10000	-0.14000

[Hide]

label	dim. small irrep	dim. full irrep	action	number of modes
mR1+	1	2	primary	2
mR2+	1	2	primary	4

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

Tm₂BaNiO₅ (#1.218)

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

Tm2BaNiO5 (#1.218)

Tm₂BaNiO₅ (#1.218)