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\|
Dy1	Dy	0.33580	0.00000	0.16665	6	m_x,2m_x,m_z	-1.28(8)	-2.56	6.27(7)	6.65
Fe1	Fe	0.88250	0.00000	0.16665	6	m_x,2m_x,m_z	-0.09(14)	-0.18	-4.45	4.45
Fe2	Fe	0.78410	0.45430	0.17070	12	m_x,m_y,m_z	0.00(1)	0.27(12)	-4.45(5)	4.46

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
O1	O	0.92380	0.00000	0.41665	6
O2	O	0.41800	0.72440	0.06365	12
O3	O	0.87790	0.69510	0.40765	12
O4	O	0.84950	0.63570	0.09020	12
O5	O	0.47600	0.14640	0.42265	12
O6	O	0.18630	0.00000	0.41665	6
O7	O	0.47170	0.46520	0.40905	12
B1	B	0.33520	0.00000	0.41665	6
B2	B	0.55360	0.88060	0.07490	12
B3	B	0.78280	0.00000	0.41665	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 Dy1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.33580	0.00000	0.16665	m_x,2m_x,m_z	-1.28000	-2.56000	6.27000
2	0.00000	0.33580	0.83332	-2m_x,-m_x,m_z	2.56000	1.28000	6.27000
3	0.66420	0.66420	0.49998	m_x,-m_x,m_z	-1.28000	1.28000	6.27000
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4	0.33580	0.00000	0.66665	-m_x,-2m_x,-m_z	1.28000	2.56000	-6.27000
5	0.00000	0.33580	0.33332	2m_x,m_x,-m_z	-2.56000	-1.28000	-6.27000
6	0.66420	0.66420	0.00000	-m_x,m_x,-m_z	1.28000	-1.28000	-6.27000

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	0.88250	0.00000	0.16665	m_x,2m_x,m_z	-0.09000	-0.18000	-4.45000
2	0.00000	0.88250	0.83332	-2m_x,-m_x,m_z	0.18000	0.09000	-4.45000
3	0.11750	0.11750	0.49998	m_x,-m_x,m_z	-0.09000	0.09000	-4.45000
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4	0.88250	0.00000	0.66665	-m_x,-2m_x,-m_z	0.09000	0.18000	4.45000
5	0.00000	0.88250	0.33332	2m_x,m_x,-m_z	-0.18000	-0.09000	4.45000
6	0.11750	0.11750	0.00000	-m_x,m_x,-m_z	0.09000	-0.09000	4.45000

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	0.78410	0.45430	0.17070	m_x,m_y,m_z	0.00000	0.27000	-4.45000
2	0.54570	0.32980	0.83737	-m_y,m_x-m_y,m_z	-0.27000	-0.27000	-4.45000
3	0.67020	0.21590	0.50403	-m_x+m_y,-m_x,m_z	0.27000	0.00000	-4.45000
4	0.32980	0.54570	0.66263	m_x-m_y,-m_y,-m_z	-0.27000	-0.27000	4.45000
5	0.45430	0.78410	0.32930	m_y,m_x,-m_z	0.27000	0.00000	4.45000
6	0.21590	0.67020	0.99597	-m_x,-m_x+m_y,-m_z	0.00000	0.27000	4.45000
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7	0.78410	0.45430	0.67070	-m_x,-m_y,-m_z	0.00000	-0.27000	4.45000
8	0.54570	0.32980	0.33737	m_y,-m_x+m_y,-m_z	0.27000	0.27000	4.45000
9	0.67020	0.21590	0.00403	m_x-m_y,m_x,-m_z	-0.27000	0.00000	4.45000
10	0.32980	0.54570	0.16263	-m_x+m_y,m_y,m_z	0.27000	0.27000	-4.45000
11	0.45430	0.78410	0.82930	-m_y,-m_x,m_z	-0.27000	0.00000	-4.45000
12	0.21590	0.67020	0.49597	m_x,m_x-m_y,m_z	0.00000	-0.27000	-4.45000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.92380	0.00000	0.41665
2	0.00000	0.92380	0.08332
3	0.07620	0.07620	0.74998
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4	0.92380	0.00000	0.91665
5	0.00000	0.92380	0.58332
6	0.07620	0.07620	0.24998

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

Atom	x	y	z
1	0.41800	0.72440	0.06365
2	0.27560	0.69360	0.73032
3	0.30640	0.58200	0.39698
4	0.69360	0.27560	0.76968
5	0.72440	0.41800	0.43635
6	0.58200	0.30640	0.10302
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7	0.41800	0.72440	0.56365
8	0.27560	0.69360	0.23032
9	0.30640	0.58200	0.89698
10	0.69360	0.27560	0.26968
11	0.72440	0.41800	0.93635
12	0.58200	0.30640	0.60302

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

Atom	x	y	z
1	0.87790	0.69510	0.40765
2	0.30490	0.18280	0.07432
3	0.81720	0.12210	0.74098
4	0.18280	0.30490	0.42568
5	0.69510	0.87790	0.09235
6	0.12210	0.81720	0.75902
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7	0.87790	0.69510	0.90765
8	0.30490	0.18280	0.57432
9	0.81720	0.12210	0.24098
10	0.18280	0.30490	0.92568
11	0.69510	0.87790	0.59235
12	0.12210	0.81720	0.25902

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

Atom	x	y	z
1	0.84950	0.63570	0.09020
2	0.36430	0.21380	0.75687
3	0.78620	0.15050	0.42353
4	0.21380	0.36430	0.74313
5	0.63570	0.84950	0.40980
6	0.15050	0.78620	0.07647
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7	0.84950	0.63570	0.59020
8	0.36430	0.21380	0.25687
9	0.78620	0.15050	0.92353
10	0.21380	0.36430	0.24313
11	0.63570	0.84950	0.90980
12	0.15050	0.78620	0.57647

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

Atom	x	y	z
1	0.47600	0.14640	0.42265
2	0.85360	0.32960	0.08932
3	0.67040	0.52400	0.75598
4	0.32960	0.85360	0.41068
5	0.14640	0.47600	0.07735
6	0.52400	0.67040	0.74402
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7	0.47600	0.14640	0.92265
8	0.85360	0.32960	0.58932
9	0.67040	0.52400	0.25598
10	0.32960	0.85360	0.91068
11	0.14640	0.47600	0.57735
12	0.52400	0.67040	0.24402

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

Atom	x	y	z
1	0.18630	0.00000	0.41665
2	0.00000	0.18630	0.08332
3	0.81370	0.81370	0.74998
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4	0.18630	0.00000	0.91665
5	0.00000	0.18630	0.58332
6	0.81370	0.81370	0.24998

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

Atom	x	y	z
1	0.47170	0.46520	0.40905
2	0.53480	0.00650	0.07572
3	0.99350	0.52830	0.74238
4	0.00650	0.53480	0.42428
5	0.46520	0.47170	0.09095
6	0.52830	0.99350	0.75762
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7	0.47170	0.46520	0.90905
8	0.53480	0.00650	0.57572
9	0.99350	0.52830	0.24238
10	0.00650	0.53480	0.92428
11	0.46520	0.47170	0.59095
12	0.52830	0.99350	0.25762

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

Atom	x	y	z
1	0.33520	0.00000	0.41665
2	0.00000	0.33520	0.08332
3	0.66480	0.66480	0.74998
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4	0.33520	0.00000	0.91665
5	0.00000	0.33520	0.58332
6	0.66480	0.66480	0.24998

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

Atom	x	y	z
1	0.55360	0.88060	0.07490
2	0.11940	0.67300	0.74157
3	0.32700	0.44640	0.40823
4	0.67300	0.11940	0.75843
5	0.88060	0.55360	0.42510
6	0.44640	0.32700	0.09177
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7	0.55360	0.88060	0.57490
8	0.11940	0.67300	0.24157
9	0.32700	0.44640	0.90823
10	0.67300	0.11940	0.25843
11	0.88060	0.55360	0.92510
12	0.44640	0.32700	0.59177

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

Atom	x	y	z
1	0.78280	0.00000	0.41665
2	0.00000	0.78280	0.08332
3	0.21720	0.21720	0.74998
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4	0.78280	0.00000	0.91665
5	0.00000	0.78280	0.58332
6	0.21720	0.21720	0.24998

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Dy1	Dy	0.33580	0.00000	0.16665	6	m_x,2m_x,m_z	-1.28(8)	-2.56	6.27(7)	6.65
Fe1	Fe	0.88250	0.00000	0.16665	6	m_x,2m_x,m_z	-0.09(14)	-0.18	-4.45	4.45
Fe2	Fe	0.78410	0.45430	0.17070	12	m_x,m_y,m_z	0.00(1)	0.27(12)	-4.45(5)	4.46

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