MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-y,x-y,z,+1	{ 3⁺₀₀₁ \| 0 }
3	-x+y,-x,z,+1	{ 3^-₀₀₁ \| 0 }
4	-x,-y,-z,+1	{ -1 \| 0 }
5	y,-x+y,-z,+1	{ -3⁺₀₀₁ \| 0 }
6	x-y,x,-z,+1	{ -3^-₀₀₁ \| 0 }
7	x-y,-y,-z,-1	{ 2'₁₀₀ \| 0 }
8	y,x,-z,-1	{ 2'₁₁₀ \| 0 }
9	-x,-x+y,-z,-1	{ 2'₀₁₀ \| 0 }
10	-x+y,y,z,-1	{ m'₁₀₀ \| 0 }
11	-y,-x,z,-1	{ m'₁₁₀ \| 0 }
12	x,x-y,z,-1	{ m'₀₁₀ \| 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-y,x-y,z,+1	3⁺₀₀₁
3	-x+y,-x,z,+1	3^-₀₀₁
4	-x,-y,-z,+1	-1
5	y,-x+y,-z,+1	-3⁺₀₀₁
6	x-y,x,-z,+1	-3^-₀₀₁
7	x-y,-y,-z,-1	2'₁₀₀
8	y,x,-z,-1	2'₁₁₀
9	-x,-x+y,-z,-1	2'₀₁₀
10	-x+y,y,z,-1	m'₁₀₀
11	-y,-x,z,-1	m'₁₁₀
12	x,x-y,z,-1	m'₀₁₀

Magnetic atoms:

Label	Atom type	x	y	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Fe1_1	Fe	0.00000	0.00000	1	0,0,m_z	-1.	1.00
Fe1_2	Fe	0.00000	0.20000	6	2m_y,m_y,m_z	1.	1.00
Fe1_3	Fe	0.00000	0.40000	6	2m_y,m_y,m_z	1.	1.00
Fe1_4	Fe	0.20000	0.40000	6	m_x,2m_x,m_z	1.	1.00
Fe1_5	Fe	0.20000	0.60000	6	2m_y,m_y,m_z	-1.	1.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
I1_1	I	0.06667	0.13333	0.25000	6
I1_2	I	0.06667	0.33333	0.25000	12
I1_3	I	0.13333	0.26667	0.75000	6
I1_4	I	0.06667	0.53333	0.25000	6
I1_5	I	0.13333	0.46667	0.75000	12
I1_6	I	0.26667	0.53333	0.25000	6
I1_7	I	0.33333	0.66667	0.75000	2

[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	0,0,m_z	0.00000	0.00000	-1.00000

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

Atom	x	y	Symmetry constraints on M	M_z
1	0.00000	0.20000	2m_y,m_y,m_z	1.00000
2	0.80000	0.80000	-m_y,m_y,m_z	1.00000
3	0.20000	0.00000	-m_y,-2m_y,m_z	1.00000
4	0.00000	0.80000	2m_y,m_y,m_z	1.00000
5	0.20000	0.20000	-m_y,m_y,m_z	1.00000
6	0.80000	0.00000	-m_y,-2m_y,m_z	1.00000

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

Atom	x	y	Symmetry constraints on M	M_z
1	0.00000	0.40000	2m_y,m_y,m_z	1.00000
2	0.60000	0.60000	-m_y,m_y,m_z	1.00000
3	0.40000	0.00000	-m_y,-2m_y,m_z	1.00000
4	0.00000	0.60000	2m_y,m_y,m_z	1.00000
5	0.40000	0.40000	-m_y,m_y,m_z	1.00000
6	0.60000	0.00000	-m_y,-2m_y,m_z	1.00000

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

Atom	x	y	Symmetry constraints on M	M_z
1	0.20000	0.40000	m_x,2m_x,m_z	1.00000
2	0.60000	0.80000	-2m_x,-m_x,m_z	1.00000
3	0.20000	0.80000	m_x,-m_x,m_z	1.00000
4	0.80000	0.60000	m_x,2m_x,m_z	1.00000
5	0.40000	0.20000	-2m_x,-m_x,m_z	1.00000
6	0.80000	0.20000	m_x,-m_x,m_z	1.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_5:

Atom	x	y	Symmetry constraints on M	M_z
1	0.20000	0.60000	2m_y,m_y,m_z	-1.00000
2	0.40000	0.60000	-m_y,m_y,m_z	-1.00000
3	0.40000	0.80000	-m_y,-2m_y,m_z	-1.00000
4	0.80000	0.40000	2m_y,m_y,m_z	-1.00000
5	0.60000	0.40000	-m_y,m_y,m_z	-1.00000
6	0.60000	0.20000	-m_y,-2m_y,m_z	-1.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom I1_1:

Atom	x	y	z
1	0.06667	0.13333	0.25000
2	0.86667	0.93334	0.25000
3	0.06666	0.93333	0.25000
4	0.93333	0.86667	0.75000
5	0.13333	0.06666	0.75000
6	0.93334	0.06667	0.75000

Set of atoms in the unit cell related by symmetry with the atom I1_2:

Atom	x	y	z
1	0.06667	0.33333	0.25000
2	0.66667	0.73334	0.25000
3	0.26666	0.93333	0.25000
4	0.93333	0.66667	0.75000
5	0.33333	0.26666	0.75000
6	0.73334	0.06667	0.75000
7	0.73334	0.66667	0.75000
8	0.33333	0.06667	0.75000
9	0.93333	0.26666	0.75000
10	0.26666	0.33333	0.25000
11	0.66667	0.93333	0.25000
12	0.06667	0.73334	0.25000

Set of atoms in the unit cell related by symmetry with the atom I1_3:

Atom	x	y	z
1	0.13333	0.26667	0.75000
2	0.73333	0.86666	0.75000
3	0.13334	0.86667	0.75000
4	0.86667	0.73333	0.25000
5	0.26667	0.13334	0.25000
6	0.86666	0.13333	0.25000

Set of atoms in the unit cell related by symmetry with the atom I1_4:

Atom	x	y	z
1	0.06667	0.53333	0.25000
2	0.46667	0.53334	0.25000
3	0.46666	0.93333	0.25000
4	0.93333	0.46667	0.75000
5	0.53333	0.46666	0.75000
6	0.53334	0.06667	0.75000

Set of atoms in the unit cell related by symmetry with the atom I1_5:

Atom	x	y	z
1	0.13333	0.46667	0.75000
2	0.53333	0.66666	0.75000
3	0.33334	0.86667	0.75000
4	0.86667	0.53333	0.25000
5	0.46667	0.33334	0.25000
6	0.66666	0.13333	0.25000
7	0.66666	0.53333	0.25000
8	0.46667	0.13333	0.25000
9	0.86667	0.33334	0.25000
10	0.33334	0.46667	0.75000
11	0.53333	0.86667	0.75000
12	0.13333	0.66666	0.75000

Set of atoms in the unit cell related by symmetry with the atom I1_6:

Atom	x	y	z
1	0.26667	0.53333	0.25000
2	0.46667	0.73334	0.25000
3	0.26666	0.73333	0.25000
4	0.73333	0.46667	0.75000
5	0.53333	0.26666	0.75000
6	0.73334	0.26667	0.75000

Set of atoms in the unit cell related by symmetry with the atom I1_7:

Atom	x	y	z
1	0.33333	0.66667	0.75000
2	0.66667	0.33333	0.25000

[Hide]

Label	Atom type	x	y	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Fe1_1	Fe	0.00000	0.00000	1	0,0,m_z	-1.	1.00
Fe1_2	Fe	0.00000	0.20000	6	2m_y,m_y,m_z	1.	1.00
Fe1_3	Fe	0.00000	0.40000	6	2m_y,m_y,m_z	1.	1.00
Fe1_4	Fe	0.20000	0.40000	6	m_x,2m_x,m_z	1.	1.00
Fe1_5	Fe	0.20000	0.60000	6	2m_y,m_y,m_z	-1.	1.00

[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: