MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x+1/2,y,-z+1/2,+1	{ m₀₀₁ \| 1/2 0 1/2 }
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5	x+1/2,y,z+1/2,-1	{ 1' \| 1/2 0 1/2 }
6	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
7	-x+1/2,-y,-z+1/2,-1	{ -1' \| 1/2 0 1/2 }
8	x,y,-z,-1	{ m'₀₀₁ \| 0 }
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9	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
10	-x,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 0 1/2 1/2 }
11	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
12	x,y+1/2,-z+1/2,+1	{ m₀₀₁ \| 0 1/2 1/2 }
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13	x,y+1/2,z+1/2,-1	{ 1' \| 0 1/2 1/2 }
14	-x+1/2,-y+1/2,z,-1	{ 2'₀₀₁ \| 1/2 1/2 0 }
15	-x,-y+1/2,-z+1/2,-1	{ -1' \| 0 1/2 1/2 }
16	x+1/2,y+1/2,-z,-1	{ m'₀₀₁ \| 1/2 1/2 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,z,+1	2₀₀₁
3	-x,-y,-z,+1	-1
4	x,y,-z,+1	m₀₀₁
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,-y,z,-1	2'₀₀₁
7	-x,-y,-z,-1	-1'
8	x,y,-z,-1	m'₀₀₁

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1_1	Fe	0.00000	0.00000	0.00000	4	m_x,m_y,0	-3.39(4)	-1.6(2)	0.0	3.75
Fe1_2	Fe	0.00000	0.00000	0.50000	4	m_x,m_y,0	-3.39(4)	-1.6(2)	0.0	3.75
Fe1_3	Fe	0.75000	0.25000	0.50000	4	m_x,m_y,0	-3.39(4)	1.6(2)	0.0	3.75
Fe1_4	Fe	0.75000	0.25000	0.00000	4	m_x,m_y,0	-3.39(4)	1.6(2)	0.0	3.75
Fe2_1	Fe	0.12890	0.04528	0.25000	16	m_x,m_y,m_z	1.50(3)	0.19(8)	3.27(2)	3.60
Fe2_2	Fe	0.37890	0.20472	0.75000	16	m_x,m_y,m_z	-1.50(3)	-0.19(8)	-3.27(2)	3.60

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Sr1_1	Sr	0.79689	0.07816	0.00000	8
Sr1_2	Sr	0.29689	0.07816	0.00000	8
Sr1_3	Sr	0.04689	0.17184	0.00000	8
Sr1_4	Sr	0.54689	0.17184	0.00000	8
S1_1	S	-0.04947	0.08042	0.25000	16
S1_2	S	0.20053	0.16959	0.75000	16
O1_1	O	0.00000	0.25000	0.75000	8
O1_2	O	0.25000	0.00000	0.75000	8
O2_1	O	0.86605	0.20445	0.00000	8
O2_2	O	0.36605	0.20445	0.00000	8
O2_3	O	0.11605	0.04555	0.00000	8
O2_4	O	0.61605	0.04555	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_1:

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,0	-3.39000	-1.60000	0.00000
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2	0.50000	0.00000	0.50000	-m_x,-m_y,0	3.39000	1.60000	0.00000
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3	0.50000	0.50000	0.00000	m_x,m_y,0	-3.39000	-1.60000	0.00000
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4	0.00000	0.50000	0.50000	-m_x,-m_y,0	3.39000	1.60000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.50000	m_x,m_y,0	-3.39000	-1.60000	0.00000
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2	0.50000	0.00000	0.00000	-m_x,-m_y,0	3.39000	1.60000	0.00000
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3	0.50000	0.50000	0.50000	m_x,m_y,0	-3.39000	-1.60000	0.00000
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4	0.00000	0.50000	0.00000	-m_x,-m_y,0	3.39000	1.60000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.75000	0.25000	0.50000	m_x,m_y,0	-3.39000	1.60000	0.00000
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2	0.25000	0.25000	0.00000	-m_x,-m_y,0	3.39000	-1.60000	0.00000
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3	0.25000	0.75000	0.50000	m_x,m_y,0	-3.39000	1.60000	0.00000
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4	0.75000	0.75000	0.00000	-m_x,-m_y,0	3.39000	-1.60000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_4:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.75000	0.25000	0.00000	m_x,m_y,0	-3.39000	1.60000	0.00000
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2	0.25000	0.25000	0.50000	-m_x,-m_y,0	3.39000	-1.60000	0.00000
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3	0.25000	0.75000	0.00000	m_x,m_y,0	-3.39000	1.60000	0.00000
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4	0.75000	0.75000	0.50000	-m_x,-m_y,0	3.39000	-1.60000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.12890	0.04528	0.25000	m_x,m_y,m_z	1.50000	0.19000	3.27000
2	0.37110	0.95472	0.75000	-m_x,-m_y,m_z	-1.50000	-0.19000	3.27000
3	0.87110	0.95472	0.75000	m_x,m_y,m_z	1.50000	0.19000	3.27000
4	0.62890	0.04528	0.25000	-m_x,-m_y,m_z	-1.50000	-0.19000	3.27000
(1/2,0,1/2)' + set click here to show and hide
5	0.62890	0.04528	0.75000	-m_x,-m_y,-m_z	-1.50000	-0.19000	-3.27000
6	0.87110	0.95472	0.25000	m_x,m_y,-m_z	1.50000	0.19000	-3.27000
7	0.37110	0.95472	0.25000	-m_x,-m_y,-m_z	-1.50000	-0.19000	-3.27000
8	0.12890	0.04528	0.75000	m_x,m_y,-m_z	1.50000	0.19000	-3.27000
(1/2,1/2,0) + set click here to show and hide
9	0.62890	0.54528	0.25000	m_x,m_y,m_z	1.50000	0.19000	3.27000
10	0.87110	0.45472	0.75000	-m_x,-m_y,m_z	-1.50000	-0.19000	3.27000
11	0.37110	0.45472	0.75000	m_x,m_y,m_z	1.50000	0.19000	3.27000
12	0.12890	0.54528	0.25000	-m_x,-m_y,m_z	-1.50000	-0.19000	3.27000
(0,1/2,1/2)' + set click here to show and hide
13	0.12890	0.54528	0.75000	-m_x,-m_y,-m_z	-1.50000	-0.19000	-3.27000
14	0.37110	0.45472	0.25000	m_x,m_y,-m_z	1.50000	0.19000	-3.27000
15	0.87110	0.45472	0.25000	-m_x,-m_y,-m_z	-1.50000	-0.19000	-3.27000
16	0.62890	0.54528	0.75000	m_x,m_y,-m_z	1.50000	0.19000	-3.27000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.37890	0.20472	0.75000	m_x,m_y,m_z	-1.50000	-0.19000	-3.27000
2	0.12110	0.79528	0.25000	-m_x,-m_y,m_z	1.50000	0.19000	-3.27000
3	0.62110	0.79528	0.25000	m_x,m_y,m_z	-1.50000	-0.19000	-3.27000
4	0.87890	0.20472	0.75000	-m_x,-m_y,m_z	1.50000	0.19000	-3.27000
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5	0.87890	0.20472	0.25000	-m_x,-m_y,-m_z	1.50000	0.19000	3.27000
6	0.62110	0.79528	0.75000	m_x,m_y,-m_z	-1.50000	-0.19000	3.27000
7	0.12110	0.79528	0.75000	-m_x,-m_y,-m_z	1.50000	0.19000	3.27000
8	0.37890	0.20472	0.25000	m_x,m_y,-m_z	-1.50000	-0.19000	3.27000
(1/2,1/2,0) + set click here to show and hide
9	0.87890	0.70472	0.75000	m_x,m_y,m_z	-1.50000	-0.19000	-3.27000
10	0.62110	0.29528	0.25000	-m_x,-m_y,m_z	1.50000	0.19000	-3.27000
11	0.12110	0.29528	0.25000	m_x,m_y,m_z	-1.50000	-0.19000	-3.27000
12	0.37890	0.70472	0.75000	-m_x,-m_y,m_z	1.50000	0.19000	-3.27000
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13	0.37890	0.70472	0.25000	-m_x,-m_y,-m_z	1.50000	0.19000	3.27000
14	0.12110	0.29528	0.75000	m_x,m_y,-m_z	-1.50000	-0.19000	3.27000
15	0.62110	0.29528	0.75000	-m_x,-m_y,-m_z	1.50000	0.19000	3.27000
16	0.87890	0.70472	0.25000	m_x,m_y,-m_z	-1.50000	-0.19000	3.27000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Sr1_1:

Atom	x	y	z
1	0.79689	0.07816	0.00000
2	0.70311	0.92184	0.50000
(1/2,0,1/2)' + set click here to show and hide
3	0.29689	0.07816	0.50000
4	0.20311	0.92184	0.00000
(1/2,1/2,0) + set click here to show and hide
5	0.29689	0.57816	0.00000
6	0.20311	0.42184	0.50000
(0,1/2,1/2)' + set click here to show and hide
7	0.79689	0.57816	0.50000
8	0.70311	0.42184	0.00000

Set of atoms in the unit cell related by symmetry with the atom Sr1_2:

Atom	x	y	z
1	0.29689	0.07816	0.00000
2	0.20311	0.92184	0.50000
(1/2,0,1/2)' + set click here to show and hide
3	0.79689	0.07816	0.50000
4	0.70311	0.92184	0.00000
(1/2,1/2,0) + set click here to show and hide
5	0.79689	0.57816	0.00000
6	0.70311	0.42184	0.50000
(0,1/2,1/2)' + set click here to show and hide
7	0.29689	0.57816	0.50000
8	0.20311	0.42184	0.00000

Set of atoms in the unit cell related by symmetry with the atom Sr1_3:

Atom	x	y	z
1	0.04689	0.17184	0.00000
2	0.45311	0.82816	0.50000
(1/2,0,1/2)' + set click here to show and hide
3	0.54689	0.17184	0.50000
4	0.95311	0.82816	0.00000
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5	0.54689	0.67184	0.00000
6	0.95311	0.32816	0.50000
(0,1/2,1/2)' + set click here to show and hide
7	0.04689	0.67184	0.50000
8	0.45311	0.32816	0.00000

Set of atoms in the unit cell related by symmetry with the atom Sr1_4:

Atom	x	y	z
1	0.54689	0.17184	0.00000
2	0.95311	0.82816	0.50000
(1/2,0,1/2)' + set click here to show and hide
3	0.04689	0.17184	0.50000
4	0.45311	0.82816	0.00000
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5	0.04689	0.67184	0.00000
6	0.45311	0.32816	0.50000
(0,1/2,1/2)' + set click here to show and hide
7	0.54689	0.67184	0.50000
8	0.95311	0.32816	0.00000

Set of atoms in the unit cell related by symmetry with the atom S1_1:

Atom	x	y	z
1	0.95053	0.08042	0.25000
2	0.54947	0.91958	0.75000
3	0.04947	0.91958	0.75000
4	0.45053	0.08042	0.25000
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5	0.45053	0.08042	0.75000
6	0.04947	0.91958	0.25000
7	0.54947	0.91958	0.25000
8	0.95053	0.08042	0.75000
(1/2,1/2,0) + set click here to show and hide
9	0.45053	0.58042	0.25000
10	0.04947	0.41958	0.75000
11	0.54947	0.41958	0.75000
12	0.95053	0.58042	0.25000
(0,1/2,1/2)' + set click here to show and hide
13	0.95053	0.58042	0.75000
14	0.54947	0.41958	0.25000
15	0.04947	0.41958	0.25000
16	0.45053	0.58042	0.75000

Set of atoms in the unit cell related by symmetry with the atom S1_2:

Atom	x	y	z
1	0.20053	0.16959	0.75000
2	0.29947	0.83041	0.25000
3	0.79947	0.83041	0.25000
4	0.70053	0.16959	0.75000
(1/2,0,1/2)' + set click here to show and hide
5	0.70053	0.16959	0.25000
6	0.79947	0.83041	0.75000
7	0.29947	0.83041	0.75000
8	0.20053	0.16959	0.25000
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9	0.70053	0.66959	0.75000
10	0.79947	0.33041	0.25000
11	0.29947	0.33041	0.25000
12	0.20053	0.66959	0.75000
(0,1/2,1/2)' + set click here to show and hide
13	0.20053	0.66959	0.25000
14	0.29947	0.33041	0.75000
15	0.79947	0.33041	0.75000
16	0.70053	0.66959	0.25000

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

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

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

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

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

Atom	x	y	z
1	0.86605	0.20445	0.00000
2	0.63395	0.79555	0.50000
(1/2,0,1/2)' + set click here to show and hide
3	0.36605	0.20445	0.50000
4	0.13395	0.79555	0.00000
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5	0.36605	0.70445	0.00000
6	0.13395	0.29555	0.50000
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7	0.86605	0.70445	0.50000
8	0.63395	0.29555	0.00000

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

Atom	x	y	z
1	0.36605	0.20445	0.00000
2	0.13395	0.79555	0.50000
(1/2,0,1/2)' + set click here to show and hide
3	0.86605	0.20445	0.50000
4	0.63395	0.79555	0.00000
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5	0.86605	0.70445	0.00000
6	0.63395	0.29555	0.50000
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7	0.36605	0.70445	0.50000
8	0.13395	0.29555	0.00000

Set of atoms in the unit cell related by symmetry with the atom O2_3:

Atom	x	y	z
1	0.11605	0.04555	0.00000
2	0.38395	0.95445	0.50000
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3	0.61605	0.04555	0.50000
4	0.88395	0.95445	0.00000
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5	0.61605	0.54555	0.00000
6	0.88395	0.45445	0.50000
(0,1/2,1/2)' + set click here to show and hide
7	0.11605	0.54555	0.50000
8	0.38395	0.45445	0.00000

Set of atoms in the unit cell related by symmetry with the atom O2_4:

Atom	x	y	z
1	0.61605	0.04555	0.00000
2	0.88395	0.95445	0.50000
(1/2,0,1/2)' + set click here to show and hide
3	0.11605	0.04555	0.50000
4	0.38395	0.95445	0.00000
(1/2,1/2,0) + set click here to show and hide
5	0.11605	0.54555	0.00000
6	0.38395	0.45445	0.50000
(0,1/2,1/2)' + set click here to show and hide
7	0.61605	0.54555	0.50000
8	0.88395	0.45445	0.00000

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1_1	Fe	0.00000	0.00000	0.00000	4	m_x,m_y,0	-3.39(4)	-1.6(2)	0.0	3.75
Fe1_2	Fe	0.00000	0.00000	0.50000	4	m_x,m_y,0	-3.39(4)	-1.6(2)	0.0	3.75
Fe1_3	Fe	0.75000	0.25000	0.50000	4	m_x,m_y,0	-3.39(4)	1.6(2)	0.0	3.75
Fe1_4	Fe	0.75000	0.25000	0.00000	4	m_x,m_y,0	-3.39(4)	1.6(2)	0.0	3.75
Fe2_1	Fe	0.12890	0.04528	0.25000	16	m_x,m_y,m_z	1.50(3)	0.19(8)	3.27(2)	3.60
Fe2_2	Fe	0.37890	0.20472	0.75000	16	m_x,m_y,m_z	-1.50(3)	-0.19(8)	-3.27(2)	3.60

[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: