MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x,y,-z+1/2,+1	{ 2₀₁₀ \| 0 0 1/2 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x,-y,z+1/2,+1	{ m₀₁₀ \| 0 0 1/2 }
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5	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
6	-x+1/2,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 1/2 1/2 1/2 }
7	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
8	x+1/2,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 1/2 1/2 1/2 }

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

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Pr1_1	Pr	0.83333	0.27273	0.91667	0.3333	8	m_x,m_y,m_z	0.0	0.0	-1.1(3)	1.10
Pr1_2	Pr	0.00000	0.77300	0.25000	0.3333	4	0,m_y,0	0.0	-1.1(3)	0.0	1.10
Fe1_1	Fe	0.25000	0.25000	0.00000	1.	4	m_x,m_y,m_z	2.71(8)	0.0	0.0	2.71
Fe1_2	Fe	0.91667	0.25000	0.33333	1.	8	m_x,m_y,m_z	-3.71(3)	0.0	0.0	3.71

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Sr1_1	Sr	0.83333	0.27273	0.91667	0.6667	8
Sr1_2	Sr	0.00000	0.77300	0.25000	0.6667	4
O1_1	O	0.33333	0.29730	0.91667	1.	8
O1_2	O	0.00000	0.29730	0.25000	1.	4
O2_1	O	0.42100	0.00000	0.07900	1.	8
O2_2	O	0.08767	0.00000	0.41233	1.	8
O2_3	O	0.75433	0.00000	0.74567	1.	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 Pr1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.83333	0.27273	0.91667	m_x,m_y,m_z	0.00000	0.00000	-1.10000
2	0.16667	0.27273	0.58333	-m_x,m_y,-m_z	0.00000	0.00000	1.10000
3	0.16667	0.72727	0.08333	m_x,m_y,m_z	0.00000	0.00000	-1.10000
4	0.83333	0.72727	0.41667	-m_x,m_y,-m_z	0.00000	0.00000	1.10000
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5	0.33333	0.77273	0.91667	m_x,m_y,m_z	0.00000	0.00000	-1.10000
6	0.66667	0.77273	0.58333	-m_x,m_y,-m_z	0.00000	0.00000	1.10000
7	0.66667	0.22727	0.08333	m_x,m_y,m_z	0.00000	0.00000	-1.10000
8	0.33333	0.22727	0.41667	-m_x,m_y,-m_z	0.00000	0.00000	1.10000

Set of atoms in the unit cell related by symmetry with the magnetic atom Pr1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.77300	0.25000	0,m_y,0	0.00000	-1.10000	0.00000
2	0.00000	0.22700	0.75000	0,m_y,0	0.00000	-1.10000	0.00000
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3	0.50000	0.27300	0.25000	0,m_y,0	0.00000	-1.10000	0.00000
4	0.50000	0.72700	0.75000	0,m_y,0	0.00000	-1.10000	0.00000

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	0.25000	0.25000	0.00000	m_x,m_y,m_z	2.71000	0.00000	0.00000
2	0.75000	0.25000	0.50000	-m_x,m_y,-m_z	-2.71000	0.00000	0.00000
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3	0.75000	0.75000	0.00000	m_x,m_y,m_z	2.71000	0.00000	0.00000
4	0.25000	0.75000	0.50000	-m_x,m_y,-m_z	-2.71000	0.00000	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	0.91667	0.25000	0.33333	m_x,m_y,m_z	-3.71000	0.00000	0.00000
2	0.08333	0.25000	0.16667	-m_x,m_y,-m_z	3.71000	0.00000	0.00000
3	0.08333	0.75000	0.66667	m_x,m_y,m_z	-3.71000	0.00000	0.00000
4	0.91667	0.75000	0.83333	-m_x,m_y,-m_z	3.71000	0.00000	0.00000
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5	0.41667	0.75000	0.33333	m_x,m_y,m_z	-3.71000	0.00000	0.00000
6	0.58333	0.75000	0.16667	-m_x,m_y,-m_z	3.71000	0.00000	0.00000
7	0.58333	0.25000	0.66667	m_x,m_y,m_z	-3.71000	0.00000	0.00000
8	0.41667	0.25000	0.83333	-m_x,m_y,-m_z	3.71000	0.00000	0.00000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.83333	0.27273	0.91667
2	0.16667	0.27273	0.58333
3	0.16667	0.72727	0.08333
4	0.83333	0.72727	0.41667
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5	0.33333	0.77273	0.91667
6	0.66667	0.77273	0.58333
7	0.66667	0.22727	0.08333
8	0.33333	0.22727	0.41667

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

Atom	x	y	z
1	0.00000	0.77300	0.25000
2	0.00000	0.22700	0.75000
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3	0.50000	0.27300	0.25000
4	0.50000	0.72700	0.75000

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

Atom	x	y	z
1	0.33333	0.29730	0.91667
2	0.66667	0.29730	0.58333
3	0.66667	0.70270	0.08333
4	0.33333	0.70270	0.41667
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5	0.83333	0.79730	0.91667
6	0.16667	0.79730	0.58333
7	0.16667	0.20270	0.08333
8	0.83333	0.20270	0.41667

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

Atom	x	y	z
1	0.00000	0.29730	0.25000
2	0.00000	0.70270	0.75000
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3	0.50000	0.79730	0.25000
4	0.50000	0.20270	0.75000

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

Atom	x	y	z
1	0.42100	0.00000	0.07900
2	0.57900	0.00000	0.42100
3	0.57900	0.00000	0.92100
4	0.42100	0.00000	0.57900
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5	0.92100	0.50000	0.07900
6	0.07900	0.50000	0.42100
7	0.07900	0.50000	0.92100
8	0.92100	0.50000	0.57900

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

Atom	x	y	z
1	0.08767	0.00000	0.41233
2	0.91233	0.00000	0.08767
3	0.91233	0.00000	0.58767
4	0.08767	0.00000	0.91233
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5	0.58767	0.50000	0.41233
6	0.41233	0.50000	0.08767
7	0.41233	0.50000	0.58767
8	0.58767	0.50000	0.91233

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

Atom	x	y	z
1	0.75433	0.00000	0.74567
2	0.24567	0.00000	0.75433
3	0.24567	0.00000	0.25433
4	0.75433	0.00000	0.24567
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5	0.25433	0.50000	0.74567
6	0.74567	0.50000	0.75433
7	0.74567	0.50000	0.25433
8	0.25433	0.50000	0.24567

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Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Pr1_1	Pr	0.83333	0.27273	0.91667	0.3333	8	m_x,m_y,m_z	0.0	0.0	-1.1(3)	1.10
Pr1_2	Pr	0.00000	0.77300	0.25000	0.3333	4	0,m_y,0	0.0	-1.1(3)	0.0	1.10
Fe1_1	Fe	0.25000	0.25000	0.00000	1.	4	m_x,m_y,m_z	2.71(8)	0.0	0.0	2.71
Fe1_2	Fe	0.91667	0.25000	0.33333	1.	8	m_x,m_y,m_z	-3.71(3)	0.0	0.0	3.71

[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: