MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-y+1/2,x+1/2,z+1/2,+1	{ 4⁺₀₀₁ \| 1/2 1/2 1/2 }
3	y+1/2,-x+1/2,z+1/2,+1	{ 4^-₀₀₁ \| 1/2 1/2 1/2 }
4	-x,-y,z,+1	{ 2₀₀₁ \| 0 }
5	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
6	y,-x,-z+1/2,+1	{ -4⁺₀₀₁ \| 0 0 1/2 }
7	-y,x,-z+1/2,+1	{ -4^-₀₀₁ \| 0 0 1/2 }
8	x+1/2,y+1/2,-z,+1	{ m₀₀₁ \| 1/2 1/2 0 }
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9	x+1/2,y+1/2,z,-1	{ 1' \| 1/2 1/2 0 }
10	-y,x,z+1/2,-1	{ 4'⁺₀₀₁ \| 0 0 1/2 }
11	y,-x,z+1/2,-1	{ 4'^-₀₀₁ \| 0 0 1/2 }
12	-x+1/2,-y+1/2,z,-1	{ 2'₀₀₁ \| 1/2 1/2 0 }
13	-x,-y,-z,-1	{ -1' \| 0 }
14	y+1/2,-x+1/2,-z+1/2,-1	{ -4'⁺₀₀₁ \| 1/2 1/2 1/2 }
15	-y+1/2,x+1/2,-z+1/2,-1	{ -4'^-₀₀₁ \| 1/2 1/2 1/2 }
16	x,y,-z,-1	{ m'₀₀₁ \| 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-y,x,z,+1	4⁺₀₀₁
3	y,-x,z,+1	4^-₀₀₁
4	-x,-y,z,+1	2₀₀₁
5	-x,-y,-z,+1	-1
6	y,-x,-z,+1	-4⁺₀₀₁
7	-y,x,-z,+1	-4^-₀₀₁
8	x,y,-z,+1	m₀₀₁
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9	x,y,z,-1	1'
10	-y,x,z,-1	4'⁺₀₀₁
11	y,-x,z,-1	4'^-₀₀₁
12	-x,-y,z,-1	2'₀₀₁
13	-x,-y,-z,-1	-1'
14	y,-x,-z,-1	-4'⁺₀₀₁
15	-y,x,-z,-1	-4'^-₀₀₁
16	x,y,-z,-1	m'₀₀₁

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	\|M\|
Fe1_1	Fe	0.25000	0.25000	0.0783	1.0000	8	m_x,m_y,0	-1.15	3.55	3.73
Fe1_2	Fe	0.25000	0.75000	0.0783	1.0000	8	m_x,m_y,0	-2.02	2.49	3.21
Fe2_1	Fe	0.0057	0.8429	0.00000	1.0000	8	m_x,m_y,0	0.27	1.07	1.10
Fe2_2	Fe	0.3429	0.0057	0.00000	1.0000	8	m_x,m_y,0	1.34	-3.48	3.73
Fe3	Fe	0.25000	0.25000	0.25000	1.0000	8	m_x,m_y,0	-0.74	-1.09	1.32

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Bi1_1	Bi	0.00501	0.66439	0.15718	1.0000	16
Bi1_2	Bi	0.00501	0.83561	0.34282	1.0000	16
O1_1	O	0.00000	0.00000	0.00000	0.5000	4
O1_2	O	0.00000	0.50000	0.50000	0.5000	4
O2_1	O	0.70772	0.58406	0.58635	1.0000	16
O2_2	O	0.70772	0.91594	0.91365	1.0000	16
O3_1	O	0.77220	0.36270	0.00000	1.0000	8
O3_2	O	0.77220	0.13730	0.50000	1.0000	8
O4	O	0.74370	0.57620	0.75000	1.0000	16
O5_1	O	0.86070	0.72073	0.33318	1.0000	16
O5_2	O	0.86070	0.77927	0.16682	1.0000	16
F1_1	F	0.00000	0.00000	0.25840	0.2500	8
F1_2	F	0.00000	0.50000	0.25840	0.2500	8

[Show all atoms in unit cell and their moment relations]

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	0.25000	0.25000	0.07830	m_x,m_y,0	-1.15000	3.55000	0.00000
2	0.25000	0.75000	0.57830	-m_y,m_x,0	-3.55000	-1.15000	0.00000
3	0.25000	0.25000	0.92170	m_x,m_y,0	-1.15000	3.55000	0.00000
4	0.25000	0.75000	0.42170	-m_y,m_x,0	-3.55000	-1.15000	0.00000
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5	0.75000	0.75000	0.07830	-m_x,-m_y,0	1.15000	-3.55000	0.00000
6	0.75000	0.25000	0.57830	m_y,-m_x,0	3.55000	1.15000	0.00000
7	0.75000	0.75000	0.92170	-m_x,-m_y,0	1.15000	-3.55000	0.00000
8	0.75000	0.25000	0.42170	m_y,-m_x,0	3.55000	1.15000	0.00000

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	0.25000	0.75000	0.07830	m_x,m_y,0	-2.02000	2.49000	0.00000
2	0.75000	0.75000	0.57830	-m_y,m_x,0	-2.49000	-2.02000	0.00000
3	0.25000	0.75000	0.92170	m_x,m_y,0	-2.02000	2.49000	0.00000
4	0.75000	0.75000	0.42170	-m_y,m_x,0	-2.49000	-2.02000	0.00000
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5	0.75000	0.25000	0.07830	-m_x,-m_y,0	2.02000	-2.49000	0.00000
6	0.25000	0.25000	0.57830	m_y,-m_x,0	2.49000	2.02000	0.00000
7	0.75000	0.25000	0.92170	-m_x,-m_y,0	2.02000	-2.49000	0.00000
8	0.25000	0.25000	0.42170	m_y,-m_x,0	2.49000	2.02000	0.00000

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	0.00570	0.84290	0.00000	m_x,m_y,0	0.27000	1.07000	0.00000
2	0.65710	0.50570	0.50000	-m_y,m_x,0	-1.07000	0.27000	0.00000
3	0.34290	0.49430	0.50000	m_y,-m_x,0	1.07000	-0.27000	0.00000
4	0.99430	0.15710	0.00000	-m_x,-m_y,0	-0.27000	-1.07000	0.00000
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5	0.50570	0.34290	0.00000	-m_x,-m_y,0	-0.27000	-1.07000	0.00000
6	0.15710	0.00570	0.50000	m_y,-m_x,0	1.07000	-0.27000	0.00000
7	0.84290	0.99430	0.50000	-m_y,m_x,0	-1.07000	0.27000	0.00000
8	0.49430	0.65710	0.00000	m_x,m_y,0	0.27000	1.07000	0.00000

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	0.34290	0.00570	0.00000	m_x,m_y,0	1.34000	-3.48000	0.00000
2	0.49430	0.84290	0.50000	-m_y,m_x,0	3.48000	1.34000	0.00000
3	0.50570	0.15710	0.50000	m_y,-m_x,0	-3.48000	-1.34000	0.00000
4	0.65710	0.99430	0.00000	-m_x,-m_y,0	-1.34000	3.48000	0.00000
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5	0.84290	0.50570	0.00000	-m_x,-m_y,0	-1.34000	3.48000	0.00000
6	0.99430	0.34290	0.50000	m_y,-m_x,0	-3.48000	-1.34000	0.00000
7	0.00570	0.65710	0.50000	-m_y,m_x,0	3.48000	1.34000	0.00000
8	0.15710	0.49430	0.00000	m_x,m_y,0	1.34000	-3.48000	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	0.25000	0.25000	0.25000	m_x,m_y,0	-0.74000	-1.09000	0.00000
2	0.25000	0.75000	0.75000	-m_y,m_x,0	1.09000	-0.74000	0.00000
3	0.25000	0.25000	0.75000	m_x,m_y,0	-0.74000	-1.09000	0.00000
4	0.25000	0.75000	0.25000	-m_y,m_x,0	1.09000	-0.74000	0.00000
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5	0.75000	0.75000	0.25000	-m_x,-m_y,0	0.74000	1.09000	0.00000
6	0.75000	0.25000	0.75000	m_y,-m_x,0	-1.09000	0.74000	0.00000
7	0.75000	0.75000	0.75000	-m_x,-m_y,0	0.74000	1.09000	0.00000
8	0.75000	0.25000	0.25000	m_y,-m_x,0	-1.09000	0.74000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Bi1_1:

Atom	x	y	z
1	0.00501	0.66439	0.15718
2	0.83561	0.50501	0.65718
3	0.16439	0.49499	0.65718
4	0.99499	0.33561	0.15718
5	0.49499	0.83561	0.84282
6	0.66439	0.99499	0.34282
7	0.33561	0.00501	0.34282
8	0.50501	0.16439	0.84282
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9	0.50501	0.16439	0.15718
10	0.33561	0.00501	0.65718
11	0.66439	0.99499	0.65718
12	0.49499	0.83561	0.15718
13	0.99499	0.33561	0.84282
14	0.16439	0.49499	0.34282
15	0.83561	0.50501	0.34282
16	0.00501	0.66439	0.84282

Set of atoms in the unit cell related by symmetry with the atom Bi1_2:

Atom	x	y	z
1	0.00501	0.83561	0.34282
2	0.66439	0.50501	0.84282
3	0.33561	0.49499	0.84282
4	0.99499	0.16439	0.34282
5	0.49499	0.66439	0.65718
6	0.83561	0.99499	0.15718
7	0.16439	0.00501	0.15718
8	0.50501	0.33561	0.65718
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9	0.50501	0.33561	0.34282
10	0.16439	0.00501	0.84282
11	0.83561	0.99499	0.84282
12	0.49499	0.66439	0.34282
13	0.99499	0.16439	0.65718
14	0.33561	0.49499	0.15718
15	0.66439	0.50501	0.15718
16	0.00501	0.83561	0.65718

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

Atom	x	y	z
1	0.00000	0.00000	0.00000
2	0.50000	0.50000	0.50000
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3	0.50000	0.50000	0.00000
4	0.00000	0.00000	0.50000

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

Atom	x	y	z
1	0.00000	0.50000	0.50000
2	0.00000	0.50000	0.00000
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3	0.50000	0.00000	0.50000
4	0.50000	0.00000	0.00000

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

Atom	x	y	z
1	0.70772	0.58406	0.58635
2	0.91594	0.20772	0.08635
3	0.08406	0.79228	0.08635
4	0.29228	0.41594	0.58635
5	0.79228	0.91594	0.41365
6	0.58406	0.29228	0.91365
7	0.41594	0.70772	0.91365
8	0.20772	0.08406	0.41365
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9	0.20772	0.08406	0.58635
10	0.41594	0.70772	0.08635
11	0.58406	0.29228	0.08635
12	0.79228	0.91594	0.58635
13	0.29228	0.41594	0.41365
14	0.08406	0.79228	0.91365
15	0.91594	0.20772	0.91365
16	0.70772	0.58406	0.41365

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

Atom	x	y	z
1	0.70772	0.91594	0.91365
2	0.58406	0.20772	0.41365
3	0.41594	0.79228	0.41365
4	0.29228	0.08406	0.91365
5	0.79228	0.58406	0.08635
6	0.91594	0.29228	0.58635
7	0.08406	0.70772	0.58635
8	0.20772	0.41594	0.08635
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9	0.20772	0.41594	0.91365
10	0.08406	0.70772	0.41365
11	0.91594	0.29228	0.41365
12	0.79228	0.58406	0.91365
13	0.29228	0.08406	0.08635
14	0.41594	0.79228	0.58635
15	0.58406	0.20772	0.58635
16	0.70772	0.91594	0.08635

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

Atom	x	y	z
1	0.77220	0.36270	0.00000
2	0.13730	0.27220	0.50000
3	0.86270	0.72780	0.50000
4	0.22780	0.63730	0.00000
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5	0.27220	0.86270	0.00000
6	0.63730	0.77220	0.50000
7	0.36270	0.22780	0.50000
8	0.72780	0.13730	0.00000

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

Atom	x	y	z
1	0.77220	0.13730	0.50000
2	0.36270	0.27220	0.00000
3	0.63730	0.72780	0.00000
4	0.22780	0.86270	0.50000
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5	0.27220	0.63730	0.50000
6	0.86270	0.77220	0.00000
7	0.13730	0.22780	0.00000
8	0.72780	0.36270	0.50000

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

Atom	x	y	z
1	0.74370	0.57620	0.75000
2	0.92380	0.24370	0.25000
3	0.07620	0.75630	0.25000
4	0.25630	0.42380	0.75000
5	0.75630	0.92380	0.25000
6	0.57620	0.25630	0.75000
7	0.42380	0.74370	0.75000
8	0.24370	0.07620	0.25000
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9	0.24370	0.07620	0.75000
10	0.42380	0.74370	0.25000
11	0.57620	0.25630	0.25000
12	0.75630	0.92380	0.75000
13	0.25630	0.42380	0.25000
14	0.07620	0.75630	0.75000
15	0.92380	0.24370	0.75000
16	0.74370	0.57620	0.25000

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

Atom	x	y	z
1	0.86070	0.72073	0.33318
2	0.77927	0.36070	0.83318
3	0.22073	0.63930	0.83318
4	0.13930	0.27927	0.33318
5	0.63930	0.77927	0.66682
6	0.72073	0.13930	0.16682
7	0.27927	0.86070	0.16682
8	0.36070	0.22073	0.66682
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9	0.36070	0.22073	0.33318
10	0.27927	0.86070	0.83318
11	0.72073	0.13930	0.83318
12	0.63930	0.77927	0.33318
13	0.13930	0.27927	0.66682
14	0.22073	0.63930	0.16682
15	0.77927	0.36070	0.16682
16	0.86070	0.72073	0.66682

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

Atom	x	y	z
1	0.86070	0.77927	0.16682
2	0.72073	0.36070	0.66682
3	0.27927	0.63930	0.66682
4	0.13930	0.22073	0.16682
5	0.63930	0.72073	0.83318
6	0.77927	0.13930	0.33318
7	0.22073	0.86070	0.33318
8	0.36070	0.27927	0.83318
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9	0.36070	0.27927	0.16682
10	0.22073	0.86070	0.66682
11	0.77927	0.13930	0.66682
12	0.63930	0.72073	0.16682
13	0.13930	0.22073	0.83318
14	0.27927	0.63930	0.33318
15	0.72073	0.36070	0.33318
16	0.86070	0.77927	0.83318

Set of atoms in the unit cell related by symmetry with the atom F1_1:

Atom	x	y	z
1	0.00000	0.00000	0.25840
2	0.50000	0.50000	0.75840
3	0.50000	0.50000	0.74160
4	0.00000	0.00000	0.24160
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5	0.50000	0.50000	0.25840
6	0.00000	0.00000	0.75840
7	0.00000	0.00000	0.74160
8	0.50000	0.50000	0.24160

Set of atoms in the unit cell related by symmetry with the atom F1_2:

Atom	x	y	z
1	0.00000	0.50000	0.25840
2	0.00000	0.50000	0.75840
3	0.50000	0.00000	0.74160
4	0.50000	0.00000	0.24160
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5	0.50000	0.00000	0.25840
6	0.50000	0.00000	0.75840
7	0.00000	0.50000	0.74160
8	0.00000	0.50000	0.24160

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	\|M\|
Fe1_1	Fe	0.25000	0.25000	0.0783	8	m_x,m_y,0	-1.15	3.55	3.73
Fe1_2	Fe	0.25000	0.75000	0.0783	8	m_x,m_y,0	-2.02	2.49	3.21
Fe2_1	Fe	0.0057	0.8429	0.00000	8	m_x,m_y,0	0.27	1.07	1.10
Fe2_2	Fe	0.3429	0.0057	0.00000	8	m_x,m_y,0	1.34	-3.48	3.73
Fe3	Fe	0.25000	0.25000	0.25000	8	m_x,m_y,0	-0.74	-1.09	1.32

[Show all magnetic atoms in unit cell and their moment relations]

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given: