MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x,y+1/2,-z,+1	{ 2₀₁₀ \| 0 1/2 0 }
(0,0,1/2)' + set click here to show and hide
3	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
4	-x,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 0 1/2 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
1' + set click here to show and hide
3	x,y,z,-1	1'
4	-x,y,-z,-1	2'₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.73500	0.13000	0.00200	4	m_x,m_y,m_z	0.0	-2.63(16)	0.0	2.63
Fe2	Fe	0.49100	0.37800	0.13500	4	m_x,m_y,m_z	0.0	-3.11(16)	0.0	3.11
Fe3	Fe	0.98100	0.36900	0.11600	4	m_x,m_y,m_z	0.0	2.58(11)	0.0	2.58
Fe4	Fe	0.77400	0.14000	0.23450	4	m_x,m_y,m_z	-1.20(15)	-1.66(16)	1.24(32)	2.39

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Y1	Y	0.75000	0.75000	0.12700	4
Ba1	Ba	0.73600	0.50000	0.37650	4
O1	O	0.74900	0.50000	0.11750	4
O2	O	0.73500	0.00000	0.12450	4
O3	O	0.53600	0.26400	0.26250	4
O4	O	0.94700	0.28400	0.46850	4
O5	O	0.06300	0.21400	0.22450	4
O6	O	0.47000	0.23400	0.02150	4
O7	O	0.75000	0.00700	0.37500	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:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.73500	0.13000	0.00200	m_x,m_y,m_z	0.00000	-2.63000	0.00000
2	0.26500	0.63000	0.99800	-m_x,m_y,-m_z	0.00000	-2.63000	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.73500	0.13000	0.50200	-m_x,-m_y,-m_z	0.00000	2.63000	0.00000
4	0.26500	0.63000	0.49800	m_x,-m_y,m_z	0.00000	2.63000	0.00000

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	0.49100	0.37800	0.13500	m_x,m_y,m_z	0.00000	-3.11000	0.00000
2	0.50900	0.87800	0.86500	-m_x,m_y,-m_z	0.00000	-3.11000	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.49100	0.37800	0.63500	-m_x,-m_y,-m_z	0.00000	3.11000	0.00000
4	0.50900	0.87800	0.36500	m_x,-m_y,m_z	0.00000	3.11000	0.00000

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	0.98100	0.36900	0.11600	m_x,m_y,m_z	0.00000	2.58000	0.00000
2	0.01900	0.86900	0.88400	-m_x,m_y,-m_z	0.00000	2.58000	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.98100	0.36900	0.61600	-m_x,-m_y,-m_z	0.00000	-2.58000	0.00000
4	0.01900	0.86900	0.38400	m_x,-m_y,m_z	0.00000	-2.58000	0.00000

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	0.77400	0.14000	0.23450	m_x,m_y,m_z	-1.20000	-1.66000	1.24000
2	0.22600	0.64000	0.76550	-m_x,m_y,-m_z	1.20000	-1.66000	-1.24000
(0,0,1/2)' + set click here to show and hide
3	0.77400	0.14000	0.73450	-m_x,-m_y,-m_z	1.20000	1.66000	-1.24000
4	0.22600	0.64000	0.26550	m_x,-m_y,m_z	-1.20000	1.66000	1.24000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Y1:

Atom	x	y	z
1	0.75000	0.75000	0.12700
2	0.25000	0.25000	0.87300
(0,0,1/2)' + set click here to show and hide
3	0.75000	0.75000	0.62700
4	0.25000	0.25000	0.37300

Set of atoms in the unit cell related by symmetry with the atom Ba1:

Atom	x	y	z
1	0.73600	0.50000	0.37650
2	0.26400	0.00000	0.62350
(0,0,1/2)' + set click here to show and hide
3	0.73600	0.50000	0.87650
4	0.26400	0.00000	0.12350

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

Atom	x	y	z
1	0.74900	0.50000	0.11750
2	0.25100	0.00000	0.88250
(0,0,1/2)' + set click here to show and hide
3	0.74900	0.50000	0.61750
4	0.25100	0.00000	0.38250

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

Atom	x	y	z
1	0.73500	0.00000	0.12450
2	0.26500	0.50000	0.87550
(0,0,1/2)' + set click here to show and hide
3	0.73500	0.00000	0.62450
4	0.26500	0.50000	0.37550

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

Atom	x	y	z
1	0.53600	0.26400	0.26250
2	0.46400	0.76400	0.73750
(0,0,1/2)' + set click here to show and hide
3	0.53600	0.26400	0.76250
4	0.46400	0.76400	0.23750

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

Atom	x	y	z
1	0.94700	0.28400	0.46850
2	0.05300	0.78400	0.53150
(0,0,1/2)' + set click here to show and hide
3	0.94700	0.28400	0.96850
4	0.05300	0.78400	0.03150

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

Atom	x	y	z
1	0.06300	0.21400	0.22450
2	0.93700	0.71400	0.77550
(0,0,1/2)' + set click here to show and hide
3	0.06300	0.21400	0.72450
4	0.93700	0.71400	0.27550

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

Atom	x	y	z
1	0.47000	0.23400	0.02150
2	0.53000	0.73400	0.97850
(0,0,1/2)' + set click here to show and hide
3	0.47000	0.23400	0.52150
4	0.53000	0.73400	0.47850

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

Atom	x	y	z
1	0.75000	0.00700	0.37500
2	0.25000	0.50700	0.62500
(0,0,1/2)' + set click here to show and hide
3	0.75000	0.00700	0.87500
4	0.25000	0.50700	0.12500

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.73500	0.13000	0.00200	4	m_x,m_y,m_z	0.0	-2.63(16)	0.0	2.63
Fe2	Fe	0.49100	0.37800	0.13500	4	m_x,m_y,m_z	0.0	-3.11(16)	0.0	3.11
Fe3	Fe	0.98100	0.36900	0.11600	4	m_x,m_y,m_z	0.0	2.58(11)	0.0	2.58
Fe4	Fe	0.77400	0.14000	0.23450	4	m_x,m_y,m_z	-1.20(15)	-1.66(16)	1.24(32)	2.39

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