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 }
(0,1/2,1/2) + set click here to show and hide
3	x,y+1/2,z+1/2,+1	{ 1 \| 0 1/2 1/2 }
4	-x,-y+1/2,-z+1/2,+1	{ -1 \| 0 1/2 1/2 }
(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 }
(1/2,1/2,0) + set click here to show and hide
7	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
8	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
(1/2,1/2,1/2)' + set click here to show and hide
9	x+1/2,y+1/2,z+1/2,-1	{ 1' \| 1/2 1/2 1/2 }
10	-x+1/2,-y+1/2,-z+1/2,-1	{ -1' \| 1/2 1/2 1/2 }
(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 }
(0,1/2,0)' + set click here to show and hide
13	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
14	-x,-y+1/2,-z,-1	{ -1' \| 0 1/2 0 }
(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\|
Nd1_1	Nd	0.0871(3)	0.3371(3)	0.25000	16	m_x,m_y,m_z	-1.15	-2.08	0.77	2.50
Nd1_2	Nd	0.1629(3)	0.0871(3)	0.25000	16	m_x,m_y,m_z	-2.36	0.29	0.77	2.50

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Pt1_1	Pt	0.00000	0.25000	0.00000	8
Pt1_2	Pt	0.25000	0.00000	0.00000	8
Ba1_1	Ba	0.00000	0.00000	0.00000	8
Ba1_2	Ba	0.25000	0.25000	0.00000	8
O1_1	O	0.3222(7)	0.5722(7)	0.1255	16
O1_2	O	0.6778(7)	0.9278(7)	0.1255	16
O1_3	O	0.9278(7)	0.3222(7)	0.1255	16
O1_4	O	0.5722(7)	0.6778(7)	0.1255	16
O2_1	O	0.00000	0.00000	0.25000	8
O2_2	O	0.25000	0.25000	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_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.08710	0.33710	0.25000	m_x,m_y,m_z	-1.15000	-2.08000	0.77000
2	0.91290	0.66290	0.75000	m_x,m_y,m_z	-1.15000	-2.08000	0.77000
(0,1/2,1/2) + set click here to show and hide
3	0.08710	0.83710	0.75000	m_x,m_y,m_z	-1.15000	-2.08000	0.77000
4	0.91290	0.16290	0.25000	m_x,m_y,m_z	-1.15000	-2.08000	0.77000
(1/2,0,1/2) + set click here to show and hide
5	0.58710	0.33710	0.75000	m_x,m_y,m_z	-1.15000	-2.08000	0.77000
6	0.41290	0.66290	0.25000	m_x,m_y,m_z	-1.15000	-2.08000	0.77000
(1/2,1/2,0) + set click here to show and hide
7	0.58710	0.83710	0.25000	m_x,m_y,m_z	-1.15000	-2.08000	0.77000
8	0.41290	0.16290	0.75000	m_x,m_y,m_z	-1.15000	-2.08000	0.77000
(1/2,1/2,1/2)' + set click here to show and hide
9	0.58710	0.83710	0.75000	-m_x,-m_y,-m_z	1.15000	2.08000	-0.77000
10	0.41290	0.16290	0.25000	-m_x,-m_y,-m_z	1.15000	2.08000	-0.77000
(1/2,0,0)' + set click here to show and hide
11	0.58710	0.33710	0.25000	-m_x,-m_y,-m_z	1.15000	2.08000	-0.77000
12	0.41290	0.66290	0.75000	-m_x,-m_y,-m_z	1.15000	2.08000	-0.77000
(0,1/2,0)' + set click here to show and hide
13	0.08710	0.83710	0.25000	-m_x,-m_y,-m_z	1.15000	2.08000	-0.77000
14	0.91290	0.16290	0.75000	-m_x,-m_y,-m_z	1.15000	2.08000	-0.77000
(0,0,1/2)' + set click here to show and hide
15	0.08710	0.33710	0.75000	-m_x,-m_y,-m_z	1.15000	2.08000	-0.77000
16	0.91290	0.66290	0.25000	-m_x,-m_y,-m_z	1.15000	2.08000	-0.77000

Set of atoms in the unit cell related by symmetry with the magnetic atom Nd1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.16290	0.08710	0.25000	m_x,m_y,m_z	-2.36000	0.29000	0.77000
2	0.83710	0.91290	0.75000	m_x,m_y,m_z	-2.36000	0.29000	0.77000
(0,1/2,1/2) + set click here to show and hide
3	0.16290	0.58710	0.75000	m_x,m_y,m_z	-2.36000	0.29000	0.77000
4	0.83710	0.41290	0.25000	m_x,m_y,m_z	-2.36000	0.29000	0.77000
(1/2,0,1/2) + set click here to show and hide
5	0.66290	0.08710	0.75000	m_x,m_y,m_z	-2.36000	0.29000	0.77000
6	0.33710	0.91290	0.25000	m_x,m_y,m_z	-2.36000	0.29000	0.77000
(1/2,1/2,0) + set click here to show and hide
7	0.66290	0.58710	0.25000	m_x,m_y,m_z	-2.36000	0.29000	0.77000
8	0.33710	0.41290	0.75000	m_x,m_y,m_z	-2.36000	0.29000	0.77000
(1/2,1/2,1/2)' + set click here to show and hide
9	0.66290	0.58710	0.75000	-m_x,-m_y,-m_z	2.36000	-0.29000	-0.77000
10	0.33710	0.41290	0.25000	-m_x,-m_y,-m_z	2.36000	-0.29000	-0.77000
(1/2,0,0)' + set click here to show and hide
11	0.66290	0.08710	0.25000	-m_x,-m_y,-m_z	2.36000	-0.29000	-0.77000
12	0.33710	0.91290	0.75000	-m_x,-m_y,-m_z	2.36000	-0.29000	-0.77000
(0,1/2,0)' + set click here to show and hide
13	0.16290	0.58710	0.25000	-m_x,-m_y,-m_z	2.36000	-0.29000	-0.77000
14	0.83710	0.41290	0.75000	-m_x,-m_y,-m_z	2.36000	-0.29000	-0.77000
(0,0,1/2)' + set click here to show and hide
15	0.16290	0.08710	0.75000	-m_x,-m_y,-m_z	2.36000	-0.29000	-0.77000
16	0.83710	0.91290	0.25000	-m_x,-m_y,-m_z	2.36000	-0.29000	-0.77000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Pt1_1:

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

Set of atoms in the unit cell related by symmetry with the atom Pt1_2:

Atom	x	y	z
1	0.25000	0.00000	0.00000
(0,1/2,1/2) + set click here to show and hide
2	0.25000	0.50000	0.50000
(1/2,0,1/2) + set click here to show and hide
3	0.75000	0.00000	0.50000
(1/2,1/2,0) + set click here to show and hide
4	0.75000	0.50000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
5	0.75000	0.50000	0.50000
(1/2,0,0)' + set click here to show and hide
6	0.75000	0.00000	0.00000
(0,1/2,0)' + set click here to show and hide
7	0.25000	0.50000	0.00000
(0,0,1/2)' + 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 Ba1_1:

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

Set of atoms in the unit cell related by symmetry with the atom Ba1_2:

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

Set of atoms in the unit cell related by symmetry with the atom O1_1:

Atom	x	y	z
1	0.32220	0.57220	0.12550
2	0.67780	0.42780	0.87450
(0,1/2,1/2) + set click here to show and hide
3	0.32220	0.07220	0.62550
4	0.67780	0.92780	0.37450
(1/2,0,1/2) + set click here to show and hide
5	0.82220	0.57220	0.62550
6	0.17780	0.42780	0.37450
(1/2,1/2,0) + set click here to show and hide
7	0.82220	0.07220	0.12550
8	0.17780	0.92780	0.87450
(1/2,1/2,1/2)' + set click here to show and hide
9	0.82220	0.07220	0.62550
10	0.17780	0.92780	0.37450
(1/2,0,0)' + set click here to show and hide
11	0.82220	0.57220	0.12550
12	0.17780	0.42780	0.87450
(0,1/2,0)' + set click here to show and hide
13	0.32220	0.07220	0.12550
14	0.67780	0.92780	0.87450
(0,0,1/2)' + set click here to show and hide
15	0.32220	0.57220	0.62550
16	0.67780	0.42780	0.37450

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

Atom	x	y	z
1	0.67780	0.92780	0.12550
2	0.32220	0.07220	0.87450
(0,1/2,1/2) + set click here to show and hide
3	0.67780	0.42780	0.62550
4	0.32220	0.57220	0.37450
(1/2,0,1/2) + set click here to show and hide
5	0.17780	0.92780	0.62550
6	0.82220	0.07220	0.37450
(1/2,1/2,0) + set click here to show and hide
7	0.17780	0.42780	0.12550
8	0.82220	0.57220	0.87450
(1/2,1/2,1/2)' + set click here to show and hide
9	0.17780	0.42780	0.62550
10	0.82220	0.57220	0.37450
(1/2,0,0)' + set click here to show and hide
11	0.17780	0.92780	0.12550
12	0.82220	0.07220	0.87450
(0,1/2,0)' + set click here to show and hide
13	0.67780	0.42780	0.12550
14	0.32220	0.57220	0.87450
(0,0,1/2)' + set click here to show and hide
15	0.67780	0.92780	0.62550
16	0.32220	0.07220	0.37450

Set of atoms in the unit cell related by symmetry with the atom O1_3:

Atom	x	y	z
1	0.92780	0.32220	0.12550
2	0.07220	0.67780	0.87450
(0,1/2,1/2) + set click here to show and hide
3	0.92780	0.82220	0.62550
4	0.07220	0.17780	0.37450
(1/2,0,1/2) + set click here to show and hide
5	0.42780	0.32220	0.62550
6	0.57220	0.67780	0.37450
(1/2,1/2,0) + set click here to show and hide
7	0.42780	0.82220	0.12550
8	0.57220	0.17780	0.87450
(1/2,1/2,1/2)' + set click here to show and hide
9	0.42780	0.82220	0.62550
10	0.57220	0.17780	0.37450
(1/2,0,0)' + set click here to show and hide
11	0.42780	0.32220	0.12550
12	0.57220	0.67780	0.87450
(0,1/2,0)' + set click here to show and hide
13	0.92780	0.82220	0.12550
14	0.07220	0.17780	0.87450
(0,0,1/2)' + set click here to show and hide
15	0.92780	0.32220	0.62550
16	0.07220	0.67780	0.37450

Set of atoms in the unit cell related by symmetry with the atom O1_4:

Atom	x	y	z
1	0.57220	0.67780	0.12550
2	0.42780	0.32220	0.87450
(0,1/2,1/2) + set click here to show and hide
3	0.57220	0.17780	0.62550
4	0.42780	0.82220	0.37450
(1/2,0,1/2) + set click here to show and hide
5	0.07220	0.67780	0.62550
6	0.92780	0.32220	0.37450
(1/2,1/2,0) + set click here to show and hide
7	0.07220	0.17780	0.12550
8	0.92780	0.82220	0.87450
(1/2,1/2,1/2)' + set click here to show and hide
9	0.07220	0.17780	0.62550
10	0.92780	0.82220	0.37450
(1/2,0,0)' + set click here to show and hide
11	0.07220	0.67780	0.12550
12	0.92780	0.32220	0.87450
(0,1/2,0)' + set click here to show and hide
13	0.57220	0.17780	0.12550
14	0.42780	0.82220	0.87450
(0,0,1/2)' + set click here to show and hide
15	0.57220	0.67780	0.62550
16	0.42780	0.32220	0.37450

Set of atoms in the unit cell related by symmetry with the atom O2_1:

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

Set of atoms in the unit cell related by symmetry with the atom O2_2:

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

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Nd1_1	Nd	0.0871(3)	0.3371(3)	0.25000	16	m_x,m_y,m_z	-1.15	-2.08	0.77	2.50
Nd1_2	Nd	0.1629(3)	0.0871(3)	0.25000	16	m_x,m_y,m_z	-2.36	0.29	0.77	2.50

[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_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.08710	0.33710	0.25000	m_x,m_y,m_z	-1.15000	-2.08000	0.77000
2	0.91290	0.66290	0.75000	m_x,m_y,m_z	-1.15000	-2.08000	0.77000
(0,1/2,1/2) + set click here to show and hide
3	0.08710	0.83710	0.75000	m_x,m_y,m_z	-1.15000	-2.08000	0.77000
4	0.91290	0.16290	0.25000	m_x,m_y,m_z	-1.15000	-2.08000	0.77000
(1/2,0,1/2) + set click here to show and hide
5	0.58710	0.33710	0.75000	m_x,m_y,m_z	-1.15000	-2.08000	0.77000
6	0.41290	0.66290	0.25000	m_x,m_y,m_z	-1.15000	-2.08000	0.77000
(1/2,1/2,0) + set click here to show and hide
7	0.58710	0.83710	0.25000	m_x,m_y,m_z	-1.15000	-2.08000	0.77000
8	0.41290	0.16290	0.75000	m_x,m_y,m_z	-1.15000	-2.08000	0.77000
(1/2,1/2,1/2)' + set click here to show and hide
9	0.58710	0.83710	0.75000	-m_x,-m_y,-m_z	1.15000	2.08000	-0.77000
10	0.41290	0.16290	0.25000	-m_x,-m_y,-m_z	1.15000	2.08000	-0.77000
(1/2,0,0)' + set click here to show and hide
11	0.58710	0.33710	0.25000	-m_x,-m_y,-m_z	1.15000	2.08000	-0.77000
12	0.41290	0.66290	0.75000	-m_x,-m_y,-m_z	1.15000	2.08000	-0.77000
(0,1/2,0)' + set click here to show and hide
13	0.08710	0.83710	0.25000	-m_x,-m_y,-m_z	1.15000	2.08000	-0.77000
14	0.91290	0.16290	0.75000	-m_x,-m_y,-m_z	1.15000	2.08000	-0.77000
(0,0,1/2)' + set click here to show and hide
15	0.08710	0.33710	0.75000	-m_x,-m_y,-m_z	1.15000	2.08000	-0.77000
16	0.91290	0.66290	0.25000	-m_x,-m_y,-m_z	1.15000	2.08000	-0.77000

Set of atoms in the unit cell related by symmetry with the magnetic atom Nd1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.16290	0.08710	0.25000	m_x,m_y,m_z	-2.36000	0.29000	0.77000
2	0.83710	0.91290	0.75000	m_x,m_y,m_z	-2.36000	0.29000	0.77000
(0,1/2,1/2) + set click here to show and hide
3	0.16290	0.58710	0.75000	m_x,m_y,m_z	-2.36000	0.29000	0.77000
4	0.83710	0.41290	0.25000	m_x,m_y,m_z	-2.36000	0.29000	0.77000
(1/2,0,1/2) + set click here to show and hide
5	0.66290	0.08710	0.75000	m_x,m_y,m_z	-2.36000	0.29000	0.77000
6	0.33710	0.91290	0.25000	m_x,m_y,m_z	-2.36000	0.29000	0.77000
(1/2,1/2,0) + set click here to show and hide
7	0.66290	0.58710	0.25000	m_x,m_y,m_z	-2.36000	0.29000	0.77000
8	0.33710	0.41290	0.75000	m_x,m_y,m_z	-2.36000	0.29000	0.77000
(1/2,1/2,1/2)' + set click here to show and hide
9	0.66290	0.58710	0.75000	-m_x,-m_y,-m_z	2.36000	-0.29000	-0.77000
10	0.33710	0.41290	0.25000	-m_x,-m_y,-m_z	2.36000	-0.29000	-0.77000
(1/2,0,0)' + set click here to show and hide
11	0.66290	0.08710	0.25000	-m_x,-m_y,-m_z	2.36000	-0.29000	-0.77000
12	0.33710	0.91290	0.75000	-m_x,-m_y,-m_z	2.36000	-0.29000	-0.77000
(0,1/2,0)' + set click here to show and hide
13	0.16290	0.58710	0.25000	-m_x,-m_y,-m_z	2.36000	-0.29000	-0.77000
14	0.83710	0.41290	0.75000	-m_x,-m_y,-m_z	2.36000	-0.29000	-0.77000
(0,0,1/2)' + set click here to show and hide
15	0.16290	0.08710	0.75000	-m_x,-m_y,-m_z	2.36000	-0.29000	-0.77000
16	0.83710	0.91290	0.25000	-m_x,-m_y,-m_z	2.36000	-0.29000	-0.77000

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label	dim. full irrep	dim. small irrep	direction	action	number of modes
mA5+	2	2	general	primary	4
mA2+A3+	2	2	general	primary	2

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

BaNd₂PtO₅ (#1.774)

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

BaNd2PtO5 (#1.774)

BaNd₂PtO₅ (#1.774)