MAGNDATA - Collection of Magnetic Structures

Symmetry operations of the magnetic space group in the setting used:

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 0 1/2 1/2 }
3	-x,-y,-z+1/2,+1	{ -1 \| 0 0 1/2 }
4	x,-y+1/2,z,+1	{ m₀₁₀ \| 0 1/2 0 }
(0,0,1/2)' + set click here to show and hide
5	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
6	-x,y+1/2,-z,-1	{ 2'₀₁₀ \| 0 1/2 0 }
7	-x,-y,-z,-1	{ -1' \| 0 }
8	x,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 0 1/2 1/2 }

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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
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,y,-z,-1	2'₀₁₀
7	-x,-y,-z,-1	-1'
8	x,-y,z,-1	m'₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_y	\|M\|
Fe1	Fe	0.26360	0.25000	0.24760	1.	4	0,m_y,0	3.7(1)	3.70
Fe2	Fe	0.88080	0.25000	0.11165	1.	4	0,m_y,0	-3.5(1)	3.50
Fe3	Fe	0.60030	0.25000	0.41435	1.	4	0,m_y,0	-3.8(1)	3.80

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Ba1	Ba	0.26500	0.25000	0.49055	1.	4
Ba2	Ba	0.91670	0.25000	0.35465	1.	4
Ba3	Ba	0.57400	0.25000	0.17135	1.	4
X11	X	0.75600	0.25000	0.00400	0.4	4
X12	X	0.74000	0.25000	0.01550	0.6	4
X2	X	0.50000	0.00000	0.00000	1.	4
X3	X	0.42400	0.25000	0.33465	1.	4
X41	X	0.03670	0.25000	0.06090	0.69	4
X42	X	0.06890	0.25000	0.12400	0.31	4
X5	X	0.67270	0.99650	0.33765	1.	8
X6	X	0.84250	0.98950	0.18735	1.	8

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	0.26360	0.25000	0.24760	0,m_y,0	0.00000	3.70000	0.00000
2	0.73640	0.75000	0.25240	0,m_y,0	0.00000	3.70000	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.26360	0.25000	0.74760	0,-m_y,0	0.00000	-3.70000	0.00000
4	0.73640	0.75000	0.75240	0,-m_y,0	0.00000	-3.70000	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	0.88080	0.25000	0.11165	0,m_y,0	0.00000	-3.50000	0.00000
2	0.11920	0.75000	0.38835	0,m_y,0	0.00000	-3.50000	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.88080	0.25000	0.61165	0,-m_y,0	0.00000	3.50000	0.00000
4	0.11920	0.75000	0.88835	0,-m_y,0	0.00000	3.50000	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	0.60030	0.25000	0.41435	0,m_y,0	0.00000	-3.80000	0.00000
2	0.39970	0.75000	0.08565	0,m_y,0	0.00000	-3.80000	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.60030	0.25000	0.91435	0,-m_y,0	0.00000	3.80000	0.00000
4	0.39970	0.75000	0.58565	0,-m_y,0	0.00000	3.80000	0.00000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.26500	0.25000	0.49055
2	0.73500	0.75000	0.00945
(0,0,1/2)' + set click here to show and hide
3	0.26500	0.25000	0.99055
4	0.73500	0.75000	0.50945

Set of atoms in the unit cell related by symmetry with the atom Ba2:

Atom	x	y	z
1	0.91670	0.25000	0.35465
2	0.08330	0.75000	0.14535
(0,0,1/2)' + set click here to show and hide
3	0.91670	0.25000	0.85465
4	0.08330	0.75000	0.64535

Set of atoms in the unit cell related by symmetry with the atom Ba3:

Atom	x	y	z
1	0.57400	0.25000	0.17135
2	0.42600	0.75000	0.32865
(0,0,1/2)' + set click here to show and hide
3	0.57400	0.25000	0.67135
4	0.42600	0.75000	0.82865

Set of atoms in the unit cell related by symmetry with the atom X11:

Atom	x	y	z
1	0.75600	0.25000	0.00400
2	0.24400	0.75000	0.49600
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3	0.75600	0.25000	0.50400
4	0.24400	0.75000	0.99600

Set of atoms in the unit cell related by symmetry with the atom X12:

Atom	x	y	z
1	0.74000	0.25000	0.01550
2	0.26000	0.75000	0.48450
(0,0,1/2)' + set click here to show and hide
3	0.74000	0.25000	0.51550
4	0.26000	0.75000	0.98450

Set of atoms in the unit cell related by symmetry with the atom X2:

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

Set of atoms in the unit cell related by symmetry with the atom X3:

Atom	x	y	z
1	0.42400	0.25000	0.33465
2	0.57600	0.75000	0.16535
(0,0,1/2)' + set click here to show and hide
3	0.42400	0.25000	0.83465
4	0.57600	0.75000	0.66535

Set of atoms in the unit cell related by symmetry with the atom X41:

Atom	x	y	z
1	0.03670	0.25000	0.06090
2	0.96330	0.75000	0.43910
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3	0.03670	0.25000	0.56090
4	0.96330	0.75000	0.93910

Set of atoms in the unit cell related by symmetry with the atom X42:

Atom	x	y	z
1	0.06890	0.25000	0.12400
2	0.93110	0.75000	0.37600
(0,0,1/2)' + set click here to show and hide
3	0.06890	0.25000	0.62400
4	0.93110	0.75000	0.87600

Set of atoms in the unit cell related by symmetry with the atom X5:

Atom	x	y	z
1	0.67270	0.99650	0.33765
2	0.32730	0.49650	0.16235
3	0.32730	0.00350	0.16235
4	0.67270	0.50350	0.33765
(0,0,1/2)' + set click here to show and hide
5	0.67270	0.99650	0.83765
6	0.32730	0.49650	0.66235
7	0.32730	0.00350	0.66235
8	0.67270	0.50350	0.83765

Set of atoms in the unit cell related by symmetry with the atom X6:

Atom	x	y	z
1	0.84250	0.98950	0.18735
2	0.15750	0.48950	0.31265
3	0.15750	0.01050	0.31265
4	0.84250	0.51050	0.18735
(0,0,1/2)' + set click here to show and hide
5	0.84250	0.98950	0.68735
6	0.15750	0.48950	0.81265
7	0.15750	0.01050	0.81265
8	0.84250	0.51050	0.68735

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_y	\|M\|
Fe1	Fe	0.26360	0.25000	0.24760	4	0,m_y,0	3.7(1)	3.70
Fe2	Fe	0.88080	0.25000	0.11165	4	0,m_y,0	-3.5(1)	3.50
Fe3	Fe	0.60030	0.25000	0.41435	4	0,m_y,0	-3.8(1)	3.80

label	dim. small irrep	dim. full irrep	action	number of modes
mB2-	1	1	primary	3

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