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	-y,x-y,z+2/3,+1	{ 3⁺₀₀₁ \| 0 0 2/3 }
3	-x+y,-x,z+1/3,+1	{ 3^-₀₀₁ \| 0 0 1/3 }
4	x-y,-y,-z+5/6,+1	{ 2₁₀₀ \| 0 0 5/6 }
5	y,x,-z+1/2,+1	{ 2₁₁₀ \| 0 0 1/2 }
6	-x,-x+y,-z+1/6,+1	{ 2₀₁₀ \| 0 0 1/6 }
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7	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
8	-y,x-y,z+1/6,-1	{ 3'⁺₀₀₁ \| 0 0 1/6 }
9	-x+y,-x,z+5/6,-1	{ 3'^-₀₀₁ \| 0 0 5/6 }
10	x-y,-y,-z+1/3,-1	{ 2'₁₀₀ \| 0 0 1/3 }
11	y,x,-z,-1	{ 2'₁₁₀ \| 0 }
12	-x,-x+y,-z+2/3,-1	{ 2'₀₁₀ \| 0 0 2/3 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-y,x-y,z,+1	3⁺₀₀₁
3	-x+y,-x,z,+1	3^-₀₀₁
4	x-y,-y,-z,+1	2₁₀₀
5	y,x,-z,+1	2₁₁₀
6	-x,-x+y,-z,+1	2₀₁₀
1' + set click here to show and hide
7	x,y,z,-1	1'
8	-y,x-y,z,-1	3'⁺₀₀₁
9	-x+y,-x,z,-1	3'^-₀₀₁
10	x-y,-y,-z,-1	2'₁₀₀
11	y,x,-z,-1	2'₁₁₀
12	-x,-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\|
Ho1	Ho	0.33560	0.00000	0.16667	6	m_x,2m_x,m_z	1.15	2.3	-4.6	5.01
Fe1	Fe	0.88380	0.00000	0.16667	6	m_x,2m_x,m_z	0.0	0.0	4.4	4.40
Fe2	Fe	0.78730	0.44960	0.17265	12	m_x,m_y,m_z	0.0	0.0	4.4	4.40

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
O1	O	0.92500	0.00000	0.41667	6
O2	O	0.41900	0.72200	0.06250	12
O3	O	0.87300	0.69400	0.41150	12
O4	O	0.85700	0.63900	0.09450	12
O5	O	0.47500	0.14400	0.42050	12
O6	O	0.18400	0.00000	0.41667	6
O7	O	0.47520	0.46400	0.40800	12
B1	B	0.32900	0.00000	0.41667	6
B2	B	0.54900	0.87740	0.07450	12
B3	B	0.77900	0.00000	0.41667	6

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 Ho1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.33560	0.00000	0.16667	m_x,2m_x,m_z	1.15000	2.30000	-4.60000
2	0.00000	0.33560	0.83334	-2m_x,-m_x,m_z	-2.30000	-1.15000	-4.60000
3	0.66440	0.66440	0.50000	m_x,-m_x,m_z	1.15000	-1.15000	-4.60000
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4	0.33560	0.00000	0.66667	-m_x,-2m_x,-m_z	-1.15000	-2.30000	4.60000
5	0.00000	0.33560	0.33334	2m_x,m_x,-m_z	2.30000	1.15000	4.60000
6	0.66440	0.66440	0.00000	-m_x,m_x,-m_z	-1.15000	1.15000	4.60000

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	0.88380	0.00000	0.16667	m_x,2m_x,m_z	0.00000	0.00000	4.40000
2	0.00000	0.88380	0.83334	-2m_x,-m_x,m_z	0.00000	0.00000	4.40000
3	0.11620	0.11620	0.50000	m_x,-m_x,m_z	0.00000	0.00000	4.40000
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4	0.88380	0.00000	0.66667	-m_x,-2m_x,-m_z	0.00000	0.00000	-4.40000
5	0.00000	0.88380	0.33334	2m_x,m_x,-m_z	0.00000	0.00000	-4.40000
6	0.11620	0.11620	0.00000	-m_x,m_x,-m_z	0.00000	0.00000	-4.40000

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	0.78730	0.44960	0.17265	m_x,m_y,m_z	0.00000	0.00000	4.40000
2	0.55040	0.33770	0.83932	-m_y,m_x-m_y,m_z	0.00000	0.00000	4.40000
3	0.66230	0.21270	0.50598	-m_x+m_y,-m_x,m_z	0.00000	0.00000	4.40000
4	0.33770	0.55040	0.66068	m_x-m_y,-m_y,-m_z	0.00000	0.00000	-4.40000
5	0.44960	0.78730	0.32735	m_y,m_x,-m_z	0.00000	0.00000	-4.40000
6	0.21270	0.66230	0.99402	-m_x,-m_x+m_y,-m_z	0.00000	0.00000	-4.40000
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7	0.78730	0.44960	0.67265	-m_x,-m_y,-m_z	0.00000	0.00000	-4.40000
8	0.55040	0.33770	0.33932	m_y,-m_x+m_y,-m_z	0.00000	0.00000	-4.40000
9	0.66230	0.21270	0.00598	m_x-m_y,m_x,-m_z	0.00000	0.00000	-4.40000
10	0.33770	0.55040	0.16068	-m_x+m_y,m_y,m_z	0.00000	0.00000	4.40000
11	0.44960	0.78730	0.82735	-m_y,-m_x,m_z	0.00000	0.00000	4.40000
12	0.21270	0.66230	0.49402	m_x,m_x-m_y,m_z	0.00000	0.00000	4.40000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.92500	0.00000	0.41667
2	0.00000	0.92500	0.08334
3	0.07500	0.07500	0.75000
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4	0.92500	0.00000	0.91667
5	0.00000	0.92500	0.58334
6	0.07500	0.07500	0.25000

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

Atom	x	y	z
1	0.41900	0.72200	0.06250
2	0.27800	0.69700	0.72917
3	0.30300	0.58100	0.39583
4	0.69700	0.27800	0.77083
5	0.72200	0.41900	0.43750
6	0.58100	0.30300	0.10417
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7	0.41900	0.72200	0.56250
8	0.27800	0.69700	0.22917
9	0.30300	0.58100	0.89583
10	0.69700	0.27800	0.27083
11	0.72200	0.41900	0.93750
12	0.58100	0.30300	0.60417

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

Atom	x	y	z
1	0.87300	0.69400	0.41150
2	0.30600	0.17900	0.07817
3	0.82100	0.12700	0.74483
4	0.17900	0.30600	0.42183
5	0.69400	0.87300	0.08850
6	0.12700	0.82100	0.75517
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7	0.87300	0.69400	0.91150
8	0.30600	0.17900	0.57817
9	0.82100	0.12700	0.24483
10	0.17900	0.30600	0.92183
11	0.69400	0.87300	0.58850
12	0.12700	0.82100	0.25517

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

Atom	x	y	z
1	0.85700	0.63900	0.09450
2	0.36100	0.21800	0.76117
3	0.78200	0.14300	0.42783
4	0.21800	0.36100	0.73883
5	0.63900	0.85700	0.40550
6	0.14300	0.78200	0.07217
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7	0.85700	0.63900	0.59450
8	0.36100	0.21800	0.26117
9	0.78200	0.14300	0.92783
10	0.21800	0.36100	0.23883
11	0.63900	0.85700	0.90550
12	0.14300	0.78200	0.57217

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

Atom	x	y	z
1	0.47500	0.14400	0.42050
2	0.85600	0.33100	0.08717
3	0.66900	0.52500	0.75383
4	0.33100	0.85600	0.41283
5	0.14400	0.47500	0.07950
6	0.52500	0.66900	0.74617
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7	0.47500	0.14400	0.92050
8	0.85600	0.33100	0.58717
9	0.66900	0.52500	0.25383
10	0.33100	0.85600	0.91283
11	0.14400	0.47500	0.57950
12	0.52500	0.66900	0.24617

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

Atom	x	y	z
1	0.18400	0.00000	0.41667
2	0.00000	0.18400	0.08334
3	0.81600	0.81600	0.75000
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4	0.18400	0.00000	0.91667
5	0.00000	0.18400	0.58334
6	0.81600	0.81600	0.25000

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

Atom	x	y	z
1	0.47520	0.46400	0.40800
2	0.53600	0.01120	0.07467
3	0.98880	0.52480	0.74133
4	0.01120	0.53600	0.42533
5	0.46400	0.47520	0.09200
6	0.52480	0.98880	0.75867
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7	0.47520	0.46400	0.90800
8	0.53600	0.01120	0.57467
9	0.98880	0.52480	0.24133
10	0.01120	0.53600	0.92533
11	0.46400	0.47520	0.59200
12	0.52480	0.98880	0.25867

Set of atoms in the unit cell related by symmetry with the atom B1:

Atom	x	y	z
1	0.32900	0.00000	0.41667
2	0.00000	0.32900	0.08334
3	0.67100	0.67100	0.75000
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4	0.32900	0.00000	0.91667
5	0.00000	0.32900	0.58334
6	0.67100	0.67100	0.25000

Set of atoms in the unit cell related by symmetry with the atom B2:

Atom	x	y	z
1	0.54900	0.87740	0.07450
2	0.12260	0.67160	0.74117
3	0.32840	0.45100	0.40783
4	0.67160	0.12260	0.75883
5	0.87740	0.54900	0.42550
6	0.45100	0.32840	0.09217
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7	0.54900	0.87740	0.57450
8	0.12260	0.67160	0.24117
9	0.32840	0.45100	0.90783
10	0.67160	0.12260	0.25883
11	0.87740	0.54900	0.92550
12	0.45100	0.32840	0.59217

Set of atoms in the unit cell related by symmetry with the atom B3:

Atom	x	y	z
1	0.77900	0.00000	0.41667
2	0.00000	0.77900	0.08334
3	0.22100	0.22100	0.75000
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4	0.77900	0.00000	0.91667
5	0.00000	0.77900	0.58334
6	0.22100	0.22100	0.25000

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ho1	Ho	0.33560	0.00000	0.16667	6	m_x,2m_x,m_z	1.15	2.3	-4.6	5.01
Fe1	Fe	0.88380	0.00000	0.16667	6	m_x,2m_x,m_z	0.0	0.0	4.4	4.40
Fe2	Fe	0.78730	0.44960	0.17265	12	m_x,m_y,m_z	0.0	0.0	4.4	4.40

label	dim. small irrep	dim. full irrep	action	number of modes
mA2	1	1	primary	7

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