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+1/2,-z,+1	{ 2₀₁₀ \| 1/2 1/2 0 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x+1/2,-y+1/2,z,+1	{ m₀₁₀ \| 1/2 1/2 0 }
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5	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
6	-x,y+1/2,-z,-1	{ 2'₀₁₀ \| 0 1/2 0 }
7	-x+1/2,-y,-z,-1	{ -1' \| 1/2 0 0 }
8	x,-y+1/2,z,-1	{ m'₀₁₀ \| 0 1/2 0 }

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Symmetry operations of the magnetic point group in the setting used:

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

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1	Ni	0.41225	0.25000	0.71820	4	m_x,0,m_z	1.57	0.0	1.	1.60
Ni2	Ni	0.40760	0.25000	0.17950	4	m_x,0,m_z	-1.57	0.0	-0.1	1.54

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1	Ba	0.15555	0.25000	0.58190	4
Ba2	Ba	0.15365	0.25000	0.06870	4
Cl1	Cl	0.44160	0.25000	0.47100	4
F1	F	0.31615	0.00380	0.15550	8
F2	F	0.00115	0.99650	0.82690	8
F3	F	0.31700	0.00660	0.65610	8
F4	F	0.37800	0.25000	0.93630	4

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	0.41225	0.25000	0.71820	m_x,0,m_z	1.57000	0.00000	1.00000
2	0.08775	0.75000	0.28180	-m_x,0,-m_z	-1.57000	0.00000	-1.00000
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3	0.91225	0.25000	0.71820	-m_x,0,-m_z	-1.57000	0.00000	-1.00000
4	0.58775	0.75000	0.28180	m_x,0,m_z	1.57000	0.00000	1.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ni2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.40760	0.25000	0.17950	m_x,0,m_z	-1.57000	0.00000	-0.10000
2	0.09240	0.75000	0.82050	-m_x,0,-m_z	1.57000	0.00000	0.10000
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3	0.90760	0.25000	0.17950	-m_x,0,-m_z	1.57000	0.00000	0.10000
4	0.59240	0.75000	0.82050	m_x,0,m_z	-1.57000	0.00000	-0.10000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ba1:

Atom	x	y	z
1	0.15555	0.25000	0.58190
2	0.34445	0.75000	0.41810
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3	0.65555	0.25000	0.58190
4	0.84445	0.75000	0.41810

Set of atoms in the unit cell related by symmetry with the atom Ba2:

Atom	x	y	z
1	0.15365	0.25000	0.06870
2	0.34635	0.75000	0.93130
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3	0.65365	0.25000	0.06870
4	0.84635	0.75000	0.93130

Set of atoms in the unit cell related by symmetry with the atom Cl1:

Atom	x	y	z
1	0.44160	0.25000	0.47100
2	0.05840	0.75000	0.52900
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3	0.94160	0.25000	0.47100
4	0.55840	0.75000	0.52900

Set of atoms in the unit cell related by symmetry with the atom F1:

Atom	x	y	z
1	0.31615	0.00380	0.15550
2	0.18385	0.50380	0.84450
3	0.68385	0.99620	0.84450
4	0.81615	0.49620	0.15550
(1/2,0,0)' + set click here to show and hide
5	0.81615	0.00380	0.15550
6	0.68385	0.50380	0.84450
7	0.18385	0.99620	0.84450
8	0.31615	0.49620	0.15550

Set of atoms in the unit cell related by symmetry with the atom F2:

Atom	x	y	z
1	0.00115	0.99650	0.82690
2	0.49885	0.49650	0.17310
3	0.99885	0.00350	0.17310
4	0.50115	0.50350	0.82690
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5	0.50115	0.99650	0.82690
6	0.99885	0.49650	0.17310
7	0.49885	0.00350	0.17310
8	0.00115	0.50350	0.82690

Set of atoms in the unit cell related by symmetry with the atom F3:

Atom	x	y	z
1	0.31700	0.00660	0.65610
2	0.18300	0.50660	0.34390
3	0.68300	0.99340	0.34390
4	0.81700	0.49340	0.65610
(1/2,0,0)' + set click here to show and hide
5	0.81700	0.00660	0.65610
6	0.68300	0.50660	0.34390
7	0.18300	0.99340	0.34390
8	0.31700	0.49340	0.65610

Set of atoms in the unit cell related by symmetry with the atom F4:

Atom	x	y	z
1	0.37800	0.25000	0.93630
2	0.12200	0.75000	0.06370
(1/2,0,0)' + set click here to show and hide
3	0.87800	0.25000	0.93630
4	0.62200	0.75000	0.06370

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1	Ni	0.41225	0.25000	0.71820	4	m_x,0,m_z	1.57	0.0	1.	1.60
Ni2	Ni	0.40760	0.25000	0.17950	4	m_x,0,m_z	-1.57	0.0	-0.1	1.54

label	dim. small irrep	dim. full irrep	action	number of modes
mY2+	1	1	primary	4

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