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+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
4	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-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_1	Fe	0.8320(4)	0.4948(7)	0.6887(2)	4	m_x,m_y,m_z	3.57(2)	1.1(1)	-0.86(4)	3.85
Fe1_2	Fe	0.1706(3)	0.5028(7)	0.8070(2)	4	m_x,m_y,m_z	-3.21(2)	-1.1(1)	1.48(4)	3.73
Fe2_1	Fe	0.8337(3)	0.4915(7)	0.4840(2)	4	m_x,m_y,m_z	4.37(3)	0.0(1)	-1.94(4)	4.82
Fe2_2	Fe	0.1647(3)	0.5094(6)	0.0143(2)	4	m_x,m_y,m_z	-5.43(3)	0.0(1)	1.87(3)	5.78

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Nb1_1	Nb	0.00100	0.99960	0.64284	4
Nb1_2	Nb	0.99900	0.99960	0.85716	4
O1_1	O	0.84500	0.82100	0.08630	4
O1_2	O	0.15500	0.82100	0.41370	4
O2_1	O	0.67200	0.35500	0.08580	4
O2_2	O	0.32800	0.35500	0.41420	4
O3_1	O	0.98600	0.32800	0.08330	4
O3_2	O	0.01400	0.32800	0.41670	4
O4	O	0.00000	0.72200	0.25000	4
O5_1	O	0.14100	0.14500	0.25000	4
O5_2	O	0.85900	0.14500	0.25000	4

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	0.83200	0.49480	0.68870	m_x,m_y,m_z	3.57000	1.10000	-0.86000
2	0.16800	0.50520	0.31130	-m_x,-m_y,-m_z	-3.57000	-1.10000	0.86000
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3	0.33200	0.99480	0.68870	m_x,m_y,m_z	3.57000	1.10000	-0.86000
4	0.66800	0.00520	0.31130	-m_x,-m_y,-m_z	-3.57000	-1.10000	0.86000

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	0.17060	0.50280	0.80700	m_x,m_y,m_z	-3.21000	-1.10000	1.48000
2	0.82940	0.49720	0.19300	-m_x,-m_y,-m_z	3.21000	1.10000	-1.48000
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3	0.67060	0.00280	0.80700	m_x,m_y,m_z	-3.21000	-1.10000	1.48000
4	0.32940	0.99720	0.19300	-m_x,-m_y,-m_z	3.21000	1.10000	-1.48000

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	0.83370	0.49150	0.48400	m_x,m_y,m_z	4.37000	0.00000	-1.94000
2	0.16630	0.50850	0.51600	-m_x,-m_y,-m_z	-4.37000	0.00000	1.94000
(1/2,1/2,0) + set click here to show and hide
3	0.33370	0.99150	0.48400	m_x,m_y,m_z	4.37000	0.00000	-1.94000
4	0.66630	0.00850	0.51600	-m_x,-m_y,-m_z	-4.37000	0.00000	1.94000

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	0.16470	0.50940	0.01430	m_x,m_y,m_z	-5.43000	0.00000	1.87000
2	0.83530	0.49060	0.98570	-m_x,-m_y,-m_z	5.43000	0.00000	-1.87000
(1/2,1/2,0) + set click here to show and hide
3	0.66470	0.00940	0.01430	m_x,m_y,m_z	-5.43000	0.00000	1.87000
4	0.33530	0.99060	0.98570	-m_x,-m_y,-m_z	5.43000	0.00000	-1.87000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.00100	0.99960	0.64284
2	0.99900	0.00040	0.35716
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3	0.50100	0.49960	0.64284
4	0.49900	0.50040	0.35716

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

Atom	x	y	z
1	0.99900	0.99960	0.85716
2	0.00100	0.00040	0.14284
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3	0.49900	0.49960	0.85716
4	0.50100	0.50040	0.14284

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

Atom	x	y	z
1	0.84500	0.82100	0.08630
2	0.15500	0.17900	0.91370
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3	0.34500	0.32100	0.08630
4	0.65500	0.67900	0.91370

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

Atom	x	y	z
1	0.15500	0.82100	0.41370
2	0.84500	0.17900	0.58630
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3	0.65500	0.32100	0.41370
4	0.34500	0.67900	0.58630

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

Atom	x	y	z
1	0.67200	0.35500	0.08580
2	0.32800	0.64500	0.91420
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3	0.17200	0.85500	0.08580
4	0.82800	0.14500	0.91420

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

Atom	x	y	z
1	0.32800	0.35500	0.41420
2	0.67200	0.64500	0.58580
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3	0.82800	0.85500	0.41420
4	0.17200	0.14500	0.58580

Set of atoms in the unit cell related by symmetry with the atom O3_1:

Atom	x	y	z
1	0.98600	0.32800	0.08330
2	0.01400	0.67200	0.91670
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3	0.48600	0.82800	0.08330
4	0.51400	0.17200	0.91670

Set of atoms in the unit cell related by symmetry with the atom O3_2:

Atom	x	y	z
1	0.01400	0.32800	0.41670
2	0.98600	0.67200	0.58330
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3	0.51400	0.82800	0.41670
4	0.48600	0.17200	0.58330

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

Atom	x	y	z
1	0.00000	0.72200	0.25000
2	0.00000	0.27800	0.75000
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3	0.50000	0.22200	0.25000
4	0.50000	0.77800	0.75000

Set of atoms in the unit cell related by symmetry with the atom O5_1:

Atom	x	y	z
1	0.14100	0.14500	0.25000
2	0.85900	0.85500	0.75000
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3	0.64100	0.64500	0.25000
4	0.35900	0.35500	0.75000

Set of atoms in the unit cell related by symmetry with the atom O5_2:

Atom	x	y	z
1	0.85900	0.14500	0.25000
2	0.14100	0.85500	0.75000
(1/2,1/2,0) + set click here to show and hide
3	0.35900	0.64500	0.25000
4	0.64100	0.35500	0.75000

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1_1	Fe	0.8320(4)	0.4948(7)	0.6887(2)	4	m_x,m_y,m_z	3.57(2)	1.1(1)	-0.86(4)	3.85
Fe1_2	Fe	0.1706(3)	0.5028(7)	0.8070(2)	4	m_x,m_y,m_z	-3.21(2)	-1.1(1)	1.48(4)	3.73
Fe2_1	Fe	0.8337(3)	0.4915(7)	0.4840(2)	4	m_x,m_y,m_z	4.37(3)	0.0(1)	-1.94(4)	4.82
Fe2_2	Fe	0.1647(3)	0.5094(6)	0.0143(2)	4	m_x,m_y,m_z	-5.43(3)	0.0(1)	1.87(3)	5.78

MAGNDATA: A Collection of magnetic structures with portable cif-type files