MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x,-y,-z,+1	{ -1 \| 0 }
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3	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
4	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,-z,+1	-1
1' + set click here to show and hide
3	x,y,z,-1	1'
4	-x,-y,-z,-1	-1'

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	2	M_x,M_y,M_z	-0.076	-4.413	0.372	4.21
Fe2	Fe	0.50000	0.50000	0.00000	2	M_x,M_y,M_z	-1.58	-5.266	2.913	4.69
Fe3	Fe	0.40212	0.12112	0.64377	4	M_x,M_y,M_z	-2.036	-3.379	0.269	4.18
Fe4	Fe	-0.09788	0.62112	0.64377	4	M_x,M_y,M_z	-3.048	-3.584	1.631	4.58
Fe5	Fe	0.36074	-0.02208	0.55704	4	M_x,M_y,M_z	2.5	-2.353	-2.392	4.46
Fe6	Fe	0.86074	0.47792	0.55704	4	M_x,M_y,M_z	-4.	0.523	2.392	4.42
Fe7	Fe	0.11891	0.07465	0.76453	4	M_x,M_y,M_z	2.754	-2.973	-1.745	4.55
Fe8	Fe	0.61891	0.57465	0.76453	4	M_x,M_y,M_z	-3.948	1.516	1.745	4.40

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
P1	P	-0.07142	0.83212	-0.08347	4
P2	P	0.42858	0.33212	-0.08347	4
P3	P	0.13000	0.73120	0.68529	4
P4	P	0.63000	0.23120	0.68529	4
P5	P	0.80638	0.57790	0.88336	4
P6	P	0.30638	0.07790	0.88336	4
O1	O	0.03701	0.76171	0.62053	4
O2	O	0.53701	0.26171	0.62053	4
O3	O	-0.03284	0.65516	-0.04152	4
O4	O	0.46716	0.15516	-0.04152	4
O5	O	0.03622	0.78224	0.73254	4
O6	O	0.53622	0.28224	0.73254	4
O7	O	0.26503	0.81559	0.64276	4
O8	O	0.76503	0.31559	0.64276	4
O9	O	-0.02219	0.52035	0.88638	4
O10	O	0.47781	0.02035	0.88638	4
O11	O	-0.01864	-0.08514	0.82693	4
O12	O	0.48136	0.41486	0.82693	4
O13	O	-0.00567	0.87443	-0.03986	4
O14	O	0.49433	0.37443	-0.03986	4
O15	O	0.24570	0.12554	0.58044	4
O16	O	0.74570	0.62554	0.58044	4
O17	O	0.72442	0.74362	0.67123	4
O18	O	0.22442	0.24362	0.67123	4
O19	O	0.30994	-0.05646	0.75366	4
O20	O	0.80994	0.44354	0.75366	4
O21	O	0.74395	0.51821	-0.03016	4
O22	O	0.24395	0.01821	-0.03016	4
O23	O	0.22919	0.01817	0.85271	4
O24	O	0.72919	0.51817	0.85271	4

[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	-0.07600	-4.41300	0.37200
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2	0.00000	0.00000	0.50000	-m_x,-m_y,-m_z	0.07600	4.41300	-0.37200

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	0.50000	0.50000	0.00000	m_x,m_y,m_z	-1.58000	-5.26600	2.91300
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2	0.50000	0.50000	0.50000	-m_x,-m_y,-m_z	1.58000	5.26600	-2.91300

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	0.40212	0.12112	0.64377	m_x,m_y,m_z	-2.03600	-3.37900	0.26900
2	0.59788	0.87888	0.35623	m_x,m_y,m_z	-2.03600	-3.37900	0.26900
(0,0,1/2)' + set click here to show and hide
3	0.40212	0.12112	0.14377	-m_x,-m_y,-m_z	2.03600	3.37900	-0.26900
4	0.59788	0.87888	0.85623	-m_x,-m_y,-m_z	2.03600	3.37900	-0.26900

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	0.90212	0.62112	0.64377	m_x,m_y,m_z	-3.04800	-3.58400	1.63100
2	0.09788	0.37888	0.35623	m_x,m_y,m_z	-3.04800	-3.58400	1.63100
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3	0.90212	0.62112	0.14377	-m_x,-m_y,-m_z	3.04800	3.58400	-1.63100
4	0.09788	0.37888	0.85623	-m_x,-m_y,-m_z	3.04800	3.58400	-1.63100

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe5:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.36074	0.97792	0.55704	m_x,m_y,m_z	2.50000	-2.35300	-2.39200
2	0.63926	0.02208	0.44296	m_x,m_y,m_z	2.50000	-2.35300	-2.39200
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3	0.36074	0.97792	0.05704	-m_x,-m_y,-m_z	-2.50000	2.35300	2.39200
4	0.63926	0.02208	0.94296	-m_x,-m_y,-m_z	-2.50000	2.35300	2.39200

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe6:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.86074	0.47792	0.55704	m_x,m_y,m_z	-4.00000	0.52300	2.39200
2	0.13926	0.52208	0.44296	m_x,m_y,m_z	-4.00000	0.52300	2.39200
(0,0,1/2)' + set click here to show and hide
3	0.86074	0.47792	0.05704	-m_x,-m_y,-m_z	4.00000	-0.52300	-2.39200
4	0.13926	0.52208	0.94296	-m_x,-m_y,-m_z	4.00000	-0.52300	-2.39200

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe7:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.11891	0.07465	0.76453	m_x,m_y,m_z	2.75400	-2.97300	-1.74500
2	0.88109	0.92535	0.23547	m_x,m_y,m_z	2.75400	-2.97300	-1.74500
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3	0.11891	0.07465	0.26453	-m_x,-m_y,-m_z	-2.75400	2.97300	1.74500
4	0.88109	0.92535	0.73547	-m_x,-m_y,-m_z	-2.75400	2.97300	1.74500

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe8:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.61891	0.57465	0.76453	m_x,m_y,m_z	-3.94800	1.51600	1.74500
2	0.38109	0.42535	0.23547	m_x,m_y,m_z	-3.94800	1.51600	1.74500
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3	0.61891	0.57465	0.26453	-m_x,-m_y,-m_z	3.94800	-1.51600	-1.74500
4	0.38109	0.42535	0.73547	-m_x,-m_y,-m_z	3.94800	-1.51600	-1.74500

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom P1:

Atom	x	y	z
1	0.92858	0.83212	0.91653
2	0.07142	0.16788	0.08347
(0,0,1/2)' + set click here to show and hide
3	0.92858	0.83212	0.41653
4	0.07142	0.16788	0.58347

Set of atoms in the unit cell related by symmetry with the atom P2:

Atom	x	y	z
1	0.42858	0.33212	0.91653
2	0.57142	0.66788	0.08347
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3	0.42858	0.33212	0.41653
4	0.57142	0.66788	0.58347

Set of atoms in the unit cell related by symmetry with the atom P3:

Atom	x	y	z
1	0.13000	0.73120	0.68529
2	0.87000	0.26880	0.31471
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3	0.13000	0.73120	0.18529
4	0.87000	0.26880	0.81471

Set of atoms in the unit cell related by symmetry with the atom P4:

Atom	x	y	z
1	0.63000	0.23120	0.68529
2	0.37000	0.76880	0.31471
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3	0.63000	0.23120	0.18529
4	0.37000	0.76880	0.81471

Set of atoms in the unit cell related by symmetry with the atom P5:

Atom	x	y	z
1	0.80638	0.57790	0.88336
2	0.19362	0.42210	0.11664
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3	0.80638	0.57790	0.38336
4	0.19362	0.42210	0.61664

Set of atoms in the unit cell related by symmetry with the atom P6:

Atom	x	y	z
1	0.30638	0.07790	0.88336
2	0.69362	0.92210	0.11664
(0,0,1/2)' + set click here to show and hide
3	0.30638	0.07790	0.38336
4	0.69362	0.92210	0.61664

Set of atoms in the unit cell related by symmetry with the atom O1:

Atom	x	y	z
1	0.03701	0.76171	0.62053
2	0.96299	0.23829	0.37947
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3	0.03701	0.76171	0.12053
4	0.96299	0.23829	0.87947

Set of atoms in the unit cell related by symmetry with the atom O2:

Atom	x	y	z
1	0.53701	0.26171	0.62053
2	0.46299	0.73829	0.37947
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3	0.53701	0.26171	0.12053
4	0.46299	0.73829	0.87947

Set of atoms in the unit cell related by symmetry with the atom O3:

Atom	x	y	z
1	0.96716	0.65516	0.95848
2	0.03284	0.34484	0.04152
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3	0.96716	0.65516	0.45848
4	0.03284	0.34484	0.54152

Set of atoms in the unit cell related by symmetry with the atom O4:

Atom	x	y	z
1	0.46716	0.15516	0.95848
2	0.53284	0.84484	0.04152
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3	0.46716	0.15516	0.45848
4	0.53284	0.84484	0.54152

Set of atoms in the unit cell related by symmetry with the atom O5:

Atom	x	y	z
1	0.03622	0.78224	0.73254
2	0.96378	0.21776	0.26746
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3	0.03622	0.78224	0.23254
4	0.96378	0.21776	0.76746

Set of atoms in the unit cell related by symmetry with the atom O6:

Atom	x	y	z
1	0.53622	0.28224	0.73254
2	0.46378	0.71776	0.26746
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3	0.53622	0.28224	0.23254
4	0.46378	0.71776	0.76746

Set of atoms in the unit cell related by symmetry with the atom O7:

Atom	x	y	z
1	0.26503	0.81559	0.64276
2	0.73497	0.18441	0.35724
(0,0,1/2)' + set click here to show and hide
3	0.26503	0.81559	0.14276
4	0.73497	0.18441	0.85724

Set of atoms in the unit cell related by symmetry with the atom O8:

Atom	x	y	z
1	0.76503	0.31559	0.64276
2	0.23497	0.68441	0.35724
(0,0,1/2)' + set click here to show and hide
3	0.76503	0.31559	0.14276
4	0.23497	0.68441	0.85724

Set of atoms in the unit cell related by symmetry with the atom O9:

Atom	x	y	z
1	0.97781	0.52035	0.88638
2	0.02219	0.47965	0.11362
(0,0,1/2)' + set click here to show and hide
3	0.97781	0.52035	0.38638
4	0.02219	0.47965	0.61362

Set of atoms in the unit cell related by symmetry with the atom O10:

Atom	x	y	z
1	0.47781	0.02035	0.88638
2	0.52219	0.97965	0.11362
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3	0.47781	0.02035	0.38638
4	0.52219	0.97965	0.61362

Set of atoms in the unit cell related by symmetry with the atom O11:

Atom	x	y	z
1	0.98136	0.91486	0.82693
2	0.01864	0.08514	0.17307
(0,0,1/2)' + set click here to show and hide
3	0.98136	0.91486	0.32693
4	0.01864	0.08514	0.67307

Set of atoms in the unit cell related by symmetry with the atom O12:

Atom	x	y	z
1	0.48136	0.41486	0.82693
2	0.51864	0.58514	0.17307
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3	0.48136	0.41486	0.32693
4	0.51864	0.58514	0.67307

Set of atoms in the unit cell related by symmetry with the atom O13:

Atom	x	y	z
1	0.99433	0.87443	0.96014
2	0.00567	0.12557	0.03986
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3	0.99433	0.87443	0.46014
4	0.00567	0.12557	0.53986

Set of atoms in the unit cell related by symmetry with the atom O14:

Atom	x	y	z
1	0.49433	0.37443	0.96014
2	0.50567	0.62557	0.03986
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3	0.49433	0.37443	0.46014
4	0.50567	0.62557	0.53986

Set of atoms in the unit cell related by symmetry with the atom O15:

Atom	x	y	z
1	0.24570	0.12554	0.58044
2	0.75430	0.87446	0.41956
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3	0.24570	0.12554	0.08044
4	0.75430	0.87446	0.91956

Set of atoms in the unit cell related by symmetry with the atom O16:

Atom	x	y	z
1	0.74570	0.62554	0.58044
2	0.25430	0.37446	0.41956
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3	0.74570	0.62554	0.08044
4	0.25430	0.37446	0.91956

Set of atoms in the unit cell related by symmetry with the atom O17:

Atom	x	y	z
1	0.72442	0.74362	0.67123
2	0.27558	0.25638	0.32877
(0,0,1/2)' + set click here to show and hide
3	0.72442	0.74362	0.17123
4	0.27558	0.25638	0.82877

Set of atoms in the unit cell related by symmetry with the atom O18:

Atom	x	y	z
1	0.22442	0.24362	0.67123
2	0.77558	0.75638	0.32877
(0,0,1/2)' + set click here to show and hide
3	0.22442	0.24362	0.17123
4	0.77558	0.75638	0.82877

Set of atoms in the unit cell related by symmetry with the atom O19:

Atom	x	y	z
1	0.30994	0.94354	0.75366
2	0.69006	0.05646	0.24634
(0,0,1/2)' + set click here to show and hide
3	0.30994	0.94354	0.25366
4	0.69006	0.05646	0.74634

Set of atoms in the unit cell related by symmetry with the atom O20:

Atom	x	y	z
1	0.80994	0.44354	0.75366
2	0.19006	0.55646	0.24634
(0,0,1/2)' + set click here to show and hide
3	0.80994	0.44354	0.25366
4	0.19006	0.55646	0.74634

Set of atoms in the unit cell related by symmetry with the atom O21:

Atom	x	y	z
1	0.74395	0.51821	0.96984
2	0.25605	0.48179	0.03016
(0,0,1/2)' + set click here to show and hide
3	0.74395	0.51821	0.46984
4	0.25605	0.48179	0.53016

Set of atoms in the unit cell related by symmetry with the atom O22:

Atom	x	y	z
1	0.24395	0.01821	0.96984
2	0.75605	0.98179	0.03016
(0,0,1/2)' + set click here to show and hide
3	0.24395	0.01821	0.46984
4	0.75605	0.98179	0.53016

Set of atoms in the unit cell related by symmetry with the atom O23:

Atom	x	y	z
1	0.22919	0.01817	0.85271
2	0.77081	0.98183	0.14729
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3	0.22919	0.01817	0.35271
4	0.77081	0.98183	0.64729

Set of atoms in the unit cell related by symmetry with the atom O24:

Atom	x	y	z
1	0.72919	0.51817	0.85271
2	0.27081	0.48183	0.14729
(0,0,1/2)' + set click here to show and hide
3	0.72919	0.51817	0.35271
4	0.27081	0.48183	0.64729

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	2	M_x,M_y,M_z	-0.076	-4.413	0.372	4.21
Fe2	Fe	0.50000	0.50000	0.00000	2	M_x,M_y,M_z	-1.58	-5.266	2.913	4.69
Fe3	Fe	0.40212	0.12112	0.64377	4	M_x,M_y,M_z	-2.036	-3.379	0.269	4.18
Fe4	Fe	-0.09788	0.62112	0.64377	4	M_x,M_y,M_z	-3.048	-3.584	1.631	4.58
Fe5	Fe	0.36074	-0.02208	0.55704	4	M_x,M_y,M_z	2.5	-2.353	-2.392	4.46
Fe6	Fe	0.86074	0.47792	0.55704	4	M_x,M_y,M_z	-4.	0.523	2.392	4.42
Fe7	Fe	0.11891	0.07465	0.76453	4	M_x,M_y,M_z	2.754	-2.973	-1.745	4.55
Fe8	Fe	0.61891	0.57465	0.76453	4	M_x,M_y,M_z	-3.948	1.516	1.745	4.40

[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: