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	{ 2₁₀₀ \| 0 }
3	-x,y,-z,+1	{ 2₀₁₀ \| 0 }
4	-x,-y,z,+1	{ 2₀₀₁ \| 0 }
5	-x+1/2,-y+1/2,-z+1/2,+1	{ -1 \| 1/2 1/2 1/2 }
6	-x+1/2,y+1/2,z+1/2,+1	{ m₁₀₀ \| 1/2 1/2 1/2 }
7	x+1/2,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 1/2 1/2 1/2 }
8	x+1/2,y+1/2,-z+1/2,+1	{ m₀₀₁ \| 1/2 1/2 1/2 }
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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	{ 2'₁₀₀ \| 1/2 1/2 1/2 }
11	-x+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
12	-x+1/2,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 1/2 1/2 1/2 }
13	-x,-y,-z,-1	{ -1' \| 0 }
14	-x,y,z,-1	{ m'₁₀₀ \| 0 }
15	x,-y,z,-1	{ m'₀₁₀ \| 0 }
16	x,y,-z,-1	{ m'₀₀₁ \| 0 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,-z,+1	2₁₀₀
3	-x,y,-z,+1	2₀₁₀
4	-x,-y,z,+1	2₀₀₁
5	-x,-y,-z,+1	-1
6	-x,y,z,+1	m₁₀₀
7	x,-y,z,+1	m₀₁₀
8	x,y,-z,+1	m₀₀₁
1' + set click here to show and hide
9	x,y,z,-1	1'
10	x,-y,-z,-1	2'₁₀₀
11	-x,y,-z,-1	2'₀₁₀
12	-x,-y,z,-1	2'₀₀₁
13	-x,-y,-z,-1	-1'
14	-x,y,z,-1	m'₁₀₀
15	x,-y,z,-1	m'₀₁₀
16	x,y,-z,-1	m'₀₀₁

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	\|M\|
Fe1	Fe	0.74580	0.50000	0.00000	4	m_x,0,0	-2.03(7)	2.03
Fe2	Fe	0.25000	0.25000	0.25000	8	m_x,m_y,m_z	2.03(7)	2.03
Fe3	Fe	0.75350	0.83450	0.00000	8	m_x,m_y,0	-2.03(7)	2.03
Fe4	Fe	0.24830	0.08370	0.24470	16	m_x,m_y,m_z	2.03(7)	2.03

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Y1	Y	0.00000	0.00000	0.00000	2
Y2	Y	0.00000	0.16740	0.50000	4
Sn1	Sn	0.31500	0.00000	0.00000	4
Sn2	Sn	0.00000	0.55540	0.00000	4
Sn3	Sn	0.00000	0.11280	0.00000	4
Sn4	Sn	0.00000	0.22450	0.00000	4
Sn5	Sn	0.00000	0.05640	0.50000	4
Sn6	Sn	0.00000	0.61000	0.50000	4
Sn7	Sn	0.00000	0.72210	0.50000	4
Sn8	Sn	0.83990	0.66810	0.00000	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 Fe1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.74580	0.50000	0.00000	m_x,0,0	-2.03000	0.00000	0.00000
2	0.25420	0.50000	0.00000	-m_x,0,0	2.03000	0.00000	0.00000
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3	0.24580	0.00000	0.50000	-m_x,0,0	2.03000	0.00000	0.00000
4	0.75420	0.00000	0.50000	m_x,0,0	-2.03000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.25000	m_x,m_y,m_z	2.03000	0.00000	0.00000
2	0.25000	0.75000	0.75000	m_x,-m_y,-m_z	2.03000	0.00000	0.00000
3	0.75000	0.25000	0.75000	-m_x,m_y,-m_z	-2.03000	0.00000	0.00000
4	0.75000	0.75000	0.25000	-m_x,-m_y,m_z	-2.03000	0.00000	0.00000
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5	0.75000	0.75000	0.75000	-m_x,-m_y,-m_z	-2.03000	0.00000	0.00000
6	0.75000	0.25000	0.25000	-m_x,m_y,m_z	-2.03000	0.00000	0.00000
7	0.25000	0.75000	0.25000	m_x,-m_y,m_z	2.03000	0.00000	0.00000
8	0.25000	0.25000	0.75000	m_x,m_y,-m_z	2.03000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.75350	0.83450	0.00000	m_x,m_y,0	-2.03000	0.00000	0.00000
2	0.75350	0.16550	0.00000	m_x,-m_y,0	-2.03000	0.00000	0.00000
3	0.24650	0.83450	0.00000	-m_x,m_y,0	2.03000	0.00000	0.00000
4	0.24650	0.16550	0.00000	-m_x,-m_y,0	2.03000	0.00000	0.00000
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5	0.25350	0.33450	0.50000	-m_x,-m_y,0	2.03000	0.00000	0.00000
6	0.25350	0.66550	0.50000	-m_x,m_y,0	2.03000	0.00000	0.00000
7	0.74650	0.33450	0.50000	m_x,-m_y,0	-2.03000	0.00000	0.00000
8	0.74650	0.66550	0.50000	m_x,m_y,0	-2.03000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe4:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.24830	0.08370	0.24470	m_x,m_y,m_z	2.03000	0.00000	0.00000
2	0.24830	0.91630	0.75530	m_x,-m_y,-m_z	2.03000	0.00000	0.00000
3	0.75170	0.08370	0.75530	-m_x,m_y,-m_z	-2.03000	0.00000	0.00000
4	0.75170	0.91630	0.24470	-m_x,-m_y,m_z	-2.03000	0.00000	0.00000
5	0.25170	0.41630	0.25530	m_x,m_y,m_z	2.03000	0.00000	0.00000
6	0.25170	0.58370	0.74470	m_x,-m_y,-m_z	2.03000	0.00000	0.00000
7	0.74830	0.41630	0.74470	-m_x,m_y,-m_z	-2.03000	0.00000	0.00000
8	0.74830	0.58370	0.25530	-m_x,-m_y,m_z	-2.03000	0.00000	0.00000
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9	0.74830	0.58370	0.74470	-m_x,-m_y,-m_z	-2.03000	0.00000	0.00000
10	0.74830	0.41630	0.25530	-m_x,m_y,m_z	-2.03000	0.00000	0.00000
11	0.25170	0.58370	0.25530	m_x,-m_y,m_z	2.03000	0.00000	0.00000
12	0.25170	0.41630	0.74470	m_x,m_y,-m_z	2.03000	0.00000	0.00000
13	0.75170	0.91630	0.75530	-m_x,-m_y,-m_z	-2.03000	0.00000	0.00000
14	0.75170	0.08370	0.24470	-m_x,m_y,m_z	-2.03000	0.00000	0.00000
15	0.24830	0.91630	0.24470	m_x,-m_y,m_z	2.03000	0.00000	0.00000
16	0.24830	0.08370	0.75530	m_x,m_y,-m_z	2.03000	0.00000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Y1:

Atom	x	y	z
1	0.00000	0.00000	0.00000
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2	0.50000	0.50000	0.50000

Set of atoms in the unit cell related by symmetry with the atom Y2:

Atom	x	y	z
1	0.00000	0.16740	0.50000
2	0.00000	0.83260	0.50000
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3	0.50000	0.66740	0.00000
4	0.50000	0.33260	0.00000

Set of atoms in the unit cell related by symmetry with the atom Sn1:

Atom	x	y	z
1	0.31500	0.00000	0.00000
2	0.68500	0.00000	0.00000
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3	0.81500	0.50000	0.50000
4	0.18500	0.50000	0.50000

Set of atoms in the unit cell related by symmetry with the atom Sn2:

Atom	x	y	z
1	0.00000	0.55540	0.00000
2	0.00000	0.44460	0.00000
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3	0.50000	0.05540	0.50000
4	0.50000	0.94460	0.50000

Set of atoms in the unit cell related by symmetry with the atom Sn3:

Atom	x	y	z
1	0.00000	0.11280	0.00000
2	0.00000	0.88720	0.00000
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3	0.50000	0.61280	0.50000
4	0.50000	0.38720	0.50000

Set of atoms in the unit cell related by symmetry with the atom Sn4:

Atom	x	y	z
1	0.00000	0.22450	0.00000
2	0.00000	0.77550	0.00000
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3	0.50000	0.72450	0.50000
4	0.50000	0.27550	0.50000

Set of atoms in the unit cell related by symmetry with the atom Sn5:

Atom	x	y	z
1	0.00000	0.05640	0.50000
2	0.00000	0.94360	0.50000
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3	0.50000	0.55640	0.00000
4	0.50000	0.44360	0.00000

Set of atoms in the unit cell related by symmetry with the atom Sn6:

Atom	x	y	z
1	0.00000	0.61000	0.50000
2	0.00000	0.39000	0.50000
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3	0.50000	0.11000	0.00000
4	0.50000	0.89000	0.00000

Set of atoms in the unit cell related by symmetry with the atom Sn7:

Atom	x	y	z
1	0.00000	0.72210	0.50000
2	0.00000	0.27790	0.50000
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3	0.50000	0.22210	0.00000
4	0.50000	0.77790	0.00000

Set of atoms in the unit cell related by symmetry with the atom Sn8:

Atom	x	y	z
1	0.83990	0.66810	0.00000
2	0.83990	0.33190	0.00000
3	0.16010	0.66810	0.00000
4	0.16010	0.33190	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
5	0.33990	0.16810	0.50000
6	0.33990	0.83190	0.50000
7	0.66010	0.16810	0.50000
8	0.66010	0.83190	0.50000

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	\|M\|
Fe1	Fe	0.74580	0.50000	0.00000	4	m_x,0,0	-2.03(7)	2.03
Fe2	Fe	0.25000	0.25000	0.25000	8	m_x,m_y,m_z	2.03(7)	2.03
Fe3	Fe	0.75350	0.83450	0.00000	8	m_x,m_y,0	-2.03(7)	2.03
Fe4	Fe	0.24830	0.08370	0.24470	16	m_x,m_y,m_z	2.03(7)	2.03

[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: