MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x+1/4,-y+5/6,z+1/2,+1	{ 2₀₀₁ \| 1/4 5/6 1/2 }
3	-x+1/4,y+1/2,-z,+1	{ 2₀₁₀ \| 1/4 1/2 0 }
4	x,-y+1/3,-z+1/2,+1	{ 2₁₀₀ \| 0 1/3 1/2 }
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5	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
6	-x+3/4,-y+5/6,z+1/2,-1	{ 2'₀₀₁ \| 3/4 5/6 1/2 }
7	-x+3/4,y+1/2,-z,-1	{ 2'₀₁₀ \| 3/4 1/2 0 }
8	x+1/2,-y+1/3,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 1/3 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,z,+1	2₀₀₁
3	-x,y,-z,+1	2₀₁₀
4	x,-y,-z,+1	2₁₀₀
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5	x,y,z,-1	1'
6	-x,-y,z,-1	2'₀₀₁
7	-x,y,-z,-1	2'₀₁₀
8	x,-y,-z,-1	2'₁₀₀

Magnetic atoms:

Label	Atom type	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.922	8	m_x,m_y,m_z	3.8(1)	3.80
Fe2	Fe	0.00000	0.50000	0.026	8	m_x,m_y,m_z	0.0	0.00
Fe3_1	Fe	0.66667	0.75000	0.019	4	m_x,0,0	0.0	0.00
Fe3_2	Fe	0.66667	0.25000	0.019	4	m_x,0,0	0.0	0.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Nb1_1	Nb	0.00000	0.66667	0.75000	1.	4
Nb1_2	Nb	0.00000	0.66667	0.25000	1.	4
Nb2_1	Nb	0.00000	0.00000	0.74860	1.	8
Nb2_2	Nb	0.25000	0.83333	0.75140	1.	8
S1_1	S	0.33542	0.66693	0.87920	1.	8
S1_2	S	0.83210	0.00197	0.87920	1.	8
S1_3	S	0.83248	0.33111	0.87920	1.	8
S1_4	S	0.66458	0.66641	0.37920	1.	8
S1_5	S	0.16790	0.33137	0.37920	1.	8
S1_6	S	0.16752	0.00223	0.37920	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 Fe1:

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,m_z	0.00000	0.00000	3.80000
2	0.25000	0.83333	0.50000	-m_x,-m_y,m_z	0.00000	0.00000	3.80000
3	0.25000	0.50000	0.00000	-m_x,m_y,-m_z	0.00000	0.00000	-3.80000
4	0.00000	0.33333	0.50000	m_x,-m_y,-m_z	0.00000	0.00000	-3.80000
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5	0.50000	0.00000	0.00000	-m_x,-m_y,-m_z	0.00000	0.00000	-3.80000
6	0.75000	0.83333	0.50000	m_x,m_y,-m_z	0.00000	0.00000	-3.80000
7	0.75000	0.50000	0.00000	m_x,-m_y,m_z	0.00000	0.00000	3.80000
8	0.50000	0.33333	0.50000	-m_x,m_y,m_z	0.00000	0.00000	3.80000

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	0.00000	0.00000	0.50000	m_x,m_y,m_z	0.00000	0.00000	0.00000
2	0.25000	0.83333	0.00000	-m_x,-m_y,m_z	0.00000	0.00000	0.00000
3	0.25000	0.50000	0.50000	-m_x,m_y,-m_z	0.00000	0.00000	0.00000
4	0.00000	0.33333	0.00000	m_x,-m_y,-m_z	0.00000	0.00000	0.00000
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5	0.50000	0.00000	0.50000	-m_x,-m_y,-m_z	0.00000	0.00000	0.00000
6	0.75000	0.83333	0.00000	m_x,m_y,-m_z	0.00000	0.00000	0.00000
7	0.75000	0.50000	0.50000	m_x,-m_y,m_z	0.00000	0.00000	0.00000
8	0.50000	0.33333	0.00000	-m_x,m_y,m_z	0.00000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe3_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.66667	0.75000	m_x,0,0	0.00000	0.00000	0.00000
2	0.25000	0.16666	0.25000	-m_x,0,0	0.00000	0.00000	0.00000
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3	0.50000	0.66667	0.75000	-m_x,0,0	0.00000	0.00000	0.00000
4	0.75000	0.16666	0.25000	m_x,0,0	0.00000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe3_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.66667	0.25000	m_x,0,0	0.00000	0.00000	0.00000
2	0.25000	0.16666	0.75000	-m_x,0,0	0.00000	0.00000	0.00000
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3	0.50000	0.66667	0.25000	-m_x,0,0	0.00000	0.00000	0.00000
4	0.75000	0.16666	0.75000	m_x,0,0	0.00000	0.00000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Nb1_1:

Atom	x	y	z
1	0.00000	0.66667	0.75000
2	0.25000	0.16666	0.25000
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3	0.50000	0.66667	0.75000
4	0.75000	0.16666	0.25000

Set of atoms in the unit cell related by symmetry with the atom Nb1_2:

Atom	x	y	z
1	0.00000	0.66667	0.25000
2	0.25000	0.16666	0.75000
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3	0.50000	0.66667	0.25000
4	0.75000	0.16666	0.75000

Set of atoms in the unit cell related by symmetry with the atom Nb2_1:

Atom	x	y	z
1	0.00000	0.00000	0.74860
2	0.25000	0.83333	0.24860
3	0.25000	0.50000	0.25140
4	0.00000	0.33333	0.75140
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5	0.50000	0.00000	0.74860
6	0.75000	0.83333	0.24860
7	0.75000	0.50000	0.25140
8	0.50000	0.33333	0.75140

Set of atoms in the unit cell related by symmetry with the atom Nb2_2:

Atom	x	y	z
1	0.25000	0.83333	0.75140
2	0.00000	0.00000	0.25140
3	0.00000	0.33333	0.24860
4	0.25000	0.50000	0.74860
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5	0.75000	0.83333	0.75140
6	0.50000	0.00000	0.25140
7	0.50000	0.33333	0.24860
8	0.75000	0.50000	0.74860

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

Atom	x	y	z
1	0.33542	0.66693	0.87920
2	0.91458	0.16640	0.37920
3	0.91458	0.16693	0.12080
4	0.33542	0.66640	0.62080
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5	0.83542	0.66693	0.87920
6	0.41458	0.16640	0.37920
7	0.41458	0.16693	0.12080
8	0.83542	0.66640	0.62080

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

Atom	x	y	z
1	0.83210	0.00197	0.87920
2	0.41790	0.83136	0.37920
3	0.41790	0.50197	0.12080
4	0.83210	0.33136	0.62080
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5	0.33210	0.00197	0.87920
6	0.91790	0.83136	0.37920
7	0.91790	0.50197	0.12080
8	0.33210	0.33136	0.62080

Set of atoms in the unit cell related by symmetry with the atom S1_3:

Atom	x	y	z
1	0.83248	0.33111	0.87920
2	0.41752	0.50222	0.37920
3	0.41752	0.83111	0.12080
4	0.83248	0.00222	0.62080
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5	0.33248	0.33111	0.87920
6	0.91752	0.50222	0.37920
7	0.91752	0.83111	0.12080
8	0.33248	0.00222	0.62080

Set of atoms in the unit cell related by symmetry with the atom S1_4:

Atom	x	y	z
1	0.66458	0.66641	0.37920
2	0.58542	0.16692	0.87920
3	0.58542	0.16641	0.62080
4	0.66458	0.66692	0.12080
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5	0.16458	0.66641	0.37920
6	0.08542	0.16692	0.87920
7	0.08542	0.16641	0.62080
8	0.16458	0.66692	0.12080

Set of atoms in the unit cell related by symmetry with the atom S1_5:

Atom	x	y	z
1	0.16790	0.33137	0.37920
2	0.08210	0.50196	0.87920
3	0.08210	0.83137	0.62080
4	0.16790	0.00196	0.12080
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5	0.66790	0.33137	0.37920
6	0.58210	0.50196	0.87920
7	0.58210	0.83137	0.62080
8	0.66790	0.00196	0.12080

Set of atoms in the unit cell related by symmetry with the atom S1_6:

Atom	x	y	z
1	0.16752	0.00223	0.37920
2	0.08248	0.83110	0.87920
3	0.08248	0.50223	0.62080
4	0.16752	0.33110	0.12080
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5	0.66752	0.00223	0.37920
6	0.58248	0.83110	0.87920
7	0.58248	0.50223	0.62080
8	0.66752	0.33110	0.12080

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Label	Atom type	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.922	8	m_x,m_y,m_z	3.8(1)	3.80
Fe2	Fe	0.00000	0.50000	0.026	8	m_x,m_y,m_z	0.0	0.00
Fe3_1	Fe	0.66667	0.75000	0.019	4	m_x,0,0	0.0	0.00
Fe3_2	Fe	0.66667	0.25000	0.019	4	m_x,0,0	0.0	0.00

[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: