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,x,z+1/2,+1	{ 6⁺₀₀₁ \| 0 0 1/2 }
3	-y,x-y,z,+1	{ 3⁺₀₀₁ \| 0 }
4	-x,-y,z+1/2,+1	{ 2₀₀₁ \| 0 0 1/2 }
5	-x+y,-x,z,+1	{ 3^-₀₀₁ \| 0 }
6	y,-x+y,z+1/2,+1	{ 6^-₀₀₁ \| 0 0 1/2 }
7	-x,-y,-z,+1	{ -1 \| 0 }
8	-x+y,-x,-z+1/2,+1	{ -6⁺₀₀₁ \| 0 0 1/2 }
9	y,-x+y,-z,+1	{ -3⁺₀₀₁ \| 0 }
10	x,y,-z+1/2,+1	{ m₀₀₁ \| 0 0 1/2 }
11	x-y,x,-z,+1	{ -3^-₀₀₁ \| 0 }
12	-y,x-y,-z+1/2,+1	{ -6^-₀₀₁ \| 0 0 1/2 }
13	x-y,-y,-z,-1	{ 2'₁₀₀ \| 0 }
14	y,x,-z,-1	{ 2'₁₁₀ \| 0 }
15	-x,-x+y,-z,-1	{ 2'₀₁₀ \| 0 }
16	x,x-y,-z+1/2,-1	{ 2'₂₁₀ \| 0 0 1/2 }
17	-x+y,y,-z+1/2,-1	{ 2'₁₂₀ \| 0 0 1/2 }
18	-y,-x,-z+1/2,-1	{ 2'_1-10 \| 0 0 1/2 }
19	-x+y,y,z,-1	{ m'₁₀₀ \| 0 }
20	-y,-x,z,-1	{ m'₁₁₀ \| 0 }
21	x,x-y,z,-1	{ m'₀₁₀ \| 0 }
22	-x,-x+y,z+1/2,-1	{ m'₂₁₀ \| 0 0 1/2 }
23	x-y,-y,z+1/2,-1	{ m'₁₂₀ \| 0 0 1/2 }
24	y,x,z+1/2,-1	{ m'_1-10 \| 0 0 1/2 }

[Hide]

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x-y,x,z,+1	6⁺₀₀₁
3	-y,x-y,z,+1	3⁺₀₀₁
4	-x,-y,z,+1	2₀₀₁
5	-x+y,-x,z,+1	3^-₀₀₁
6	y,-x+y,z,+1	6^-₀₀₁
7	-x,-y,-z,+1	-1
8	-x+y,-x,-z,+1	-6⁺₀₀₁
9	y,-x+y,-z,+1	-3⁺₀₀₁
10	x,y,-z,+1	m₀₀₁
11	x-y,x,-z,+1	-3^-₀₀₁
12	-y,x-y,-z,+1	-6^-₀₀₁
13	x-y,-y,-z,-1	2'₁₀₀
14	y,x,-z,-1	2'₁₁₀
15	-x,-x+y,-z,-1	2'₀₁₀
16	x,x-y,-z,-1	2'₂₁₀
17	-x+y,y,-z,-1	2'₁₂₀
18	-y,-x,-z,-1	2'_1-10
19	-x+y,y,z,-1	m'₁₀₀
20	-y,-x,z,-1	m'₁₁₀
21	x,x-y,z,-1	m'₀₁₀
22	-x,-x+y,z,-1	m'₂₁₀
23	x-y,-y,z,-1	m'₁₂₀
24	y,x,z,-1	m'_1-10

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Fe7PR	Fe	0.33333	0.66667	0.74543	0.5	4	0,0,m_z	3.6(4)	3.60
Fe4OS	Fe	0.33333	0.66667	0.92560	0.9	4	0,0,m_z	3.6(3)	3.60
Fe3OSS	Fe	0.50000	0.00000	0.00000	0.5417	6	m_x,2m_x,m_z	2.0(6)	2.00
Fe1TS	Fe	0.00000	0.00000	0.05569	0.965	4	0,0,m_z	-4.5(4)	4.50
Fe2TS	Fe	0.33333	0.66667	0.09273	0.977	4	0,0,m_z	-4.2(3)	4.20
Fe5ORS	Fe	0.16439	0.32878	0.65106	1.	12	m_x,2m_x,m_z	3.5(2)	3.50
Fe6OR	Fe	0.33333	0.66667	0.20831	1.	4	0,0,m_z	-4.7(3)(1)	4.70

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Sr1	Sr	0.00000	0.00000	0.25000	1.	2
Mg4OS	Mg	0.33333	0.66667	0.92560	0.099	4
Mg3OSS	Mg	0.50000	0.00000	0.00000	0.4583	6
Mg1TS	Mg	0.00000	0.00000	0.05569	0.035	4
Mg2TS	Mg	0.33333	0.66667	0.09273	0.023	4
Mg5ORS	Mg	0.16439	0.32878	0.65106	0	12
Mg6OR	Mg	0.33333	0.66667	0.20831	0	4
O1	O	0.82480	0.64960	0.03633	1.	12
O2	O	0.33333	0.66667	0.03394	1.	4
O3	O	0.51160	0.02300	0.11083	1.	12
O4	O	0.00000	0.00000	0.11318	1.	4
O5	O	0.16200	0.32400	0.18008	1.	12
O6	O	0.33333	0.66667	0.81837	1.	4
O7	O	0.48390	0.96780	0.25000	1.	6

[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 Fe7PR:

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.33333	0.66667	0.74543	0,0,m_z	3.60000
2	0.66666	0.33333	0.24543	0,0,m_z	3.60000
3	0.66667	0.33333	0.25457	0,0,m_z	3.60000
4	0.33334	0.66667	0.75457	0,0,m_z	3.60000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe4OS:

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.33333	0.66667	0.92560	0,0,m_z	3.60000
2	0.66666	0.33333	0.42560	0,0,m_z	3.60000
3	0.66667	0.33333	0.07440	0,0,m_z	3.60000
4	0.33334	0.66667	0.57440	0,0,m_z	3.60000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe3OSS:

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.50000	0.00000	0.00000	m_x,2m_x,m_z	2.00000
2	0.50000	0.50000	0.50000	-m_x,m_x,m_z	2.00000
3	0.00000	0.50000	0.00000	-2m_x,-m_x,m_z	2.00000
4	0.50000	0.00000	0.50000	-m_x,-2m_x,m_z	2.00000
5	0.50000	0.50000	0.00000	m_x,-m_x,m_z	2.00000
6	0.00000	0.50000	0.50000	2m_x,m_x,m_z	2.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1TS:

Atom	z	Symmetry constraints on M	M_z
1	0.05569	0,0,m_z	-4.50000
2	0.55569	0,0,m_z	-4.50000
3	0.94431	0,0,m_z	-4.50000
4	0.44431	0,0,m_z	-4.50000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2TS:

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.33333	0.66667	0.09273	0,0,m_z	-4.20000
2	0.66666	0.33333	0.59273	0,0,m_z	-4.20000
3	0.66667	0.33333	0.90727	0,0,m_z	-4.20000
4	0.33334	0.66667	0.40727	0,0,m_z	-4.20000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe5ORS:

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.16439	0.32878	0.65106	m_x,2m_x,m_z	3.50000
2	0.83561	0.16439	0.15106	-m_x,m_x,m_z	3.50000
3	0.67122	0.83561	0.65106	-2m_x,-m_x,m_z	3.50000
4	0.83561	0.67122	0.15106	-m_x,-2m_x,m_z	3.50000
5	0.16439	0.83561	0.65106	m_x,-m_x,m_z	3.50000
6	0.32878	0.16439	0.15106	2m_x,m_x,m_z	3.50000
7	0.83561	0.67122	0.34894	m_x,2m_x,m_z	3.50000
8	0.16439	0.83561	0.84894	-m_x,m_x,m_z	3.50000
9	0.32878	0.16439	0.34894	-2m_x,-m_x,m_z	3.50000
10	0.16439	0.32878	0.84894	-m_x,-2m_x,m_z	3.50000
11	0.83561	0.16439	0.34894	m_x,-m_x,m_z	3.50000
12	0.67122	0.83561	0.84894	2m_x,m_x,m_z	3.50000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe6OR:

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.33333	0.66667	0.20831	0,0,m_z	-4.70000
2	0.66666	0.33333	0.70831	0,0,m_z	-4.70000
3	0.66667	0.33333	0.79169	0,0,m_z	-4.70000
4	0.33334	0.66667	0.29169	0,0,m_z	-4.70000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Sr1:

Atom	x	y	z
1	0.00000	0.00000	0.25000
2	0.00000	0.00000	0.75000

Set of atoms in the unit cell related by symmetry with the atom Mg4OS:

Atom	x	y	z
1	0.33333	0.66667	0.92560
2	0.66666	0.33333	0.42560
3	0.66667	0.33333	0.07440
4	0.33334	0.66667	0.57440

Set of atoms in the unit cell related by symmetry with the atom Mg3OSS:

Atom	x	y	z
1	0.50000	0.00000	0.00000
2	0.50000	0.50000	0.50000
3	0.00000	0.50000	0.00000
4	0.50000	0.00000	0.50000
5	0.50000	0.50000	0.00000
6	0.00000	0.50000	0.50000

Set of atoms in the unit cell related by symmetry with the atom Mg1TS:

Atom	x	y	z
1	0.00000	0.00000	0.05569
2	0.00000	0.00000	0.55569
3	0.00000	0.00000	0.94431
4	0.00000	0.00000	0.44431

Set of atoms in the unit cell related by symmetry with the atom Mg2TS:

Atom	x	y	z
1	0.33333	0.66667	0.09273
2	0.66666	0.33333	0.59273
3	0.66667	0.33333	0.90727
4	0.33334	0.66667	0.40727

Set of atoms in the unit cell related by symmetry with the atom Mg5ORS:

Atom	x	y	z
1	0.16439	0.32878	0.65106
2	0.83561	0.16439	0.15106
3	0.67122	0.83561	0.65106
4	0.83561	0.67122	0.15106
5	0.16439	0.83561	0.65106
6	0.32878	0.16439	0.15106
7	0.83561	0.67122	0.34894
8	0.16439	0.83561	0.84894
9	0.32878	0.16439	0.34894
10	0.16439	0.32878	0.84894
11	0.83561	0.16439	0.34894
12	0.67122	0.83561	0.84894

Set of atoms in the unit cell related by symmetry with the atom Mg6OR:

Atom	x	y	z
1	0.33333	0.66667	0.20831
2	0.66666	0.33333	0.70831
3	0.66667	0.33333	0.79169
4	0.33334	0.66667	0.29169

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

Atom	x	y	z
1	0.82480	0.64960	0.03633
2	0.17520	0.82480	0.53633
3	0.35040	0.17520	0.03633
4	0.17520	0.35040	0.53633
5	0.82480	0.17520	0.03633
6	0.64960	0.82480	0.53633
7	0.17520	0.35040	0.96367
8	0.82480	0.17520	0.46367
9	0.64960	0.82480	0.96367
10	0.82480	0.64960	0.46367
11	0.17520	0.82480	0.96367
12	0.35040	0.17520	0.46367

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

Atom	x	y	z
1	0.33333	0.66667	0.03394
2	0.66666	0.33333	0.53394
3	0.66667	0.33333	0.96606
4	0.33334	0.66667	0.46606

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

Atom	x	y	z
1	0.51160	0.02300	0.11083
2	0.48860	0.51160	0.61083
3	0.97700	0.48860	0.11083
4	0.48840	0.97700	0.61083
5	0.51140	0.48840	0.11083
6	0.02300	0.51140	0.61083
7	0.48840	0.97700	0.88917
8	0.51140	0.48840	0.38917
9	0.02300	0.51140	0.88917
10	0.51160	0.02300	0.38917
11	0.48860	0.51160	0.88917
12	0.97700	0.48860	0.38917

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

Atom	x	y	z
1	0.00000	0.00000	0.11318
2	0.00000	0.00000	0.61318
3	0.00000	0.00000	0.88682
4	0.00000	0.00000	0.38682

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

Atom	x	y	z
1	0.16200	0.32400	0.18008
2	0.83800	0.16200	0.68008
3	0.67600	0.83800	0.18008
4	0.83800	0.67600	0.68008
5	0.16200	0.83800	0.18008
6	0.32400	0.16200	0.68008
7	0.83800	0.67600	0.81992
8	0.16200	0.83800	0.31992
9	0.32400	0.16200	0.81992
10	0.16200	0.32400	0.31992
11	0.83800	0.16200	0.81992
12	0.67600	0.83800	0.31992

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

Atom	x	y	z
1	0.33333	0.66667	0.81837
2	0.66666	0.33333	0.31837
3	0.66667	0.33333	0.18163
4	0.33334	0.66667	0.68163

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

Atom	x	y	z
1	0.48390	0.96780	0.25000
2	0.51610	0.48390	0.75000
3	0.03220	0.51610	0.25000
4	0.51610	0.03220	0.75000
5	0.48390	0.51610	0.25000
6	0.96780	0.48390	0.75000

[Hide]

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Fe7PR	Fe	0.33333	0.66667	0.74543	0.5	4	0,0,m_z	3.6(4)	3.60
Fe4OS	Fe	0.33333	0.66667	0.92560	0.9	4	0,0,m_z	3.6(3)	3.60
Fe3OSS	Fe	0.50000	0.00000	0.00000	0.5417	6	m_x,2m_x,m_z	2.0(6)	2.00
Fe1TS	Fe	0.00000	0.00000	0.05569	0.965	4	0,0,m_z	-4.5(4)	4.50
Fe2TS	Fe	0.33333	0.66667	0.09273	0.977	4	0,0,m_z	-4.2(3)	4.20
Fe5ORS	Fe	0.16439	0.32878	0.65106	1.	12	m_x,2m_x,m_z	3.5(2)	3.50
Fe6OR	Fe	0.33333	0.66667	0.20831	1.	4	0,0,m_z	-4.7(3)(1)	4.70

[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: