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	0.74525	0.5	4	0,0,m_z	3.5(6)	3.50
Fe4OS	Fe	0.33333	0.66667	0.92472	0.972	4	0,0,m_z	3.4(5)	3.40
Fe3OSS	Fe	0.50000	0.00000	0.00000	1.	6	m_x,2m_x,m_z	2.4(5)	2.40
Fe1TS	Fe	0.00000	0.00000	0.05650	0.448	1	0,0,m_z	-1.6(1.3)	1.60
Fe2TS	Fe	0.33333	0.66667	0.09400	0.764	4	0,0,m_z	-3.5(6)	3.50
Fe6OR	Fe	0.33333	0.66667	0.20856	0.968	4	0,0,m_z	-4.4(4)	4.40
Fe5ORS	Fe	0.83606	0.67212	0.15139	0.965	12	m_x,2m_x,m_z	2.9(3)	2.90

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Sr1	Sr	0.00000	0.00000	0.25000	1.	2
Zn4OS	Zn	0.33333	0.66667	0.92472	0.028	4
Zn3OSS	Zn	0.50000	0.00000	0.00000	0	6
Zn1TS	Zn	0.00000	0.00000	0.05650	0.552	4
Zn2TS	Zn	0.33333	0.66667	0.09400	0.236	4
Zn6OR	Zn	0.33333	0.66667	0.20856	0.032	4
Zn5ORS	Zn	0.83606	0.67212	0.15139	0.035	12
O1	O	0.82235	0.64470	0.03517	1.	12
O2	O	0.33333	0.66667	0.03394	1.	4
O3	O	0.51220	0.02440	0.11054	1.	12
O4	O	0.00000	0.00000	0.11473	1.	4
O5	O	0.16173	0.32346	0.18037	1.	12
O6	O	0.33333	0.66667	0.81945	1.	4
O7	O	0.48415	0.96830	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	0.74525	0,0,m_z	3.50000
2	0.66666	0.33333	0.24525	0,0,m_z	3.50000
3	0.66667	0.33333	0.25475	0,0,m_z	3.50000
4	0.33334	0.66667	0.75475	0,0,m_z	3.50000

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	0.92472	0,0,m_z	3.40000
2	0.66666	0.33333	0.42472	0,0,m_z	3.40000
3	0.66667	0.33333	0.07528	0,0,m_z	3.40000
4	0.33334	0.66667	0.57528	0,0,m_z	3.40000

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	2.40000
2	0.50000	0.50000	0.50000	-m_x,m_x,m_z	2.40000
3	0.00000	0.50000	0.00000	-2m_x,-m_x,m_z	2.40000
4	0.50000	0.00000	0.50000	-m_x,-2m_x,m_z	2.40000
5	0.50000	0.50000	0.00000	m_x,-m_x,m_z	2.40000
6	0.00000	0.50000	0.50000	2m_x,m_x,m_z	2.40000

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

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1

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	0.09400	0,0,m_z	-3.50000
2	0.66666	0.33333	0.59400	0,0,m_z	-3.50000
3	0.66667	0.33333	0.90600	0,0,m_z	-3.50000
4	0.33334	0.66667	0.40600	0,0,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	0.20856	0,0,m_z	-4.40000
2	0.66666	0.33333	0.70856	0,0,m_z	-4.40000
3	0.66667	0.33333	0.79144	0,0,m_z	-4.40000
4	0.33334	0.66667	0.29144	0,0,m_z	-4.40000

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	0.83606	0.67212	0.15139	m_x,2m_x,m_z	2.90000
2	0.16394	0.83606	0.65139	-m_x,m_x,m_z	2.90000
3	0.32788	0.16394	0.15139	-2m_x,-m_x,m_z	2.90000
4	0.16394	0.32788	0.65139	-m_x,-2m_x,m_z	2.90000
5	0.83606	0.16394	0.15139	m_x,-m_x,m_z	2.90000
6	0.67212	0.83606	0.65139	2m_x,m_x,m_z	2.90000
7	0.16394	0.32788	0.84861	m_x,2m_x,m_z	2.90000
8	0.83606	0.16394	0.34861	-m_x,m_x,m_z	2.90000
9	0.67212	0.83606	0.84861	-2m_x,-m_x,m_z	2.90000
10	0.83606	0.67212	0.34861	-m_x,-2m_x,m_z	2.90000
11	0.16394	0.83606	0.84861	m_x,-m_x,m_z	2.90000
12	0.32788	0.16394	0.34861	2m_x,m_x,m_z	2.90000

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 Zn4OS:

Atom	x	y	z
1	0.33333	0.66667	0.92472
2	0.66666	0.33333	0.42472
3	0.66667	0.33333	0.07528
4	0.33334	0.66667	0.57528

Set of atoms in the unit cell related by symmetry with the atom Zn3OSS:

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 Zn1TS:

Atom	x	y	z
1	0.00000	0.00000	0.05650
2	0.00000	0.00000	0.55650
3	0.00000	0.00000	0.94350
4	0.00000	0.00000	0.44350

Set of atoms in the unit cell related by symmetry with the atom Zn2TS:

Atom	x	y	z
1	0.33333	0.66667	0.09400
2	0.66666	0.33333	0.59400
3	0.66667	0.33333	0.90600
4	0.33334	0.66667	0.40600

Set of atoms in the unit cell related by symmetry with the atom Zn6OR:

Atom	x	y	z
1	0.33333	0.66667	0.20856
2	0.66666	0.33333	0.70856
3	0.66667	0.33333	0.79144
4	0.33334	0.66667	0.29144

Set of atoms in the unit cell related by symmetry with the atom Zn5ORS:

Atom	x	y	z
1	0.83606	0.67212	0.15139
2	0.16394	0.83606	0.65139
3	0.32788	0.16394	0.15139
4	0.16394	0.32788	0.65139
5	0.83606	0.16394	0.15139
6	0.67212	0.83606	0.65139
7	0.16394	0.32788	0.84861
8	0.83606	0.16394	0.34861
9	0.67212	0.83606	0.84861
10	0.83606	0.67212	0.34861
11	0.16394	0.83606	0.84861
12	0.32788	0.16394	0.34861

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

Atom	x	y	z
1	0.82235	0.64470	0.03517
2	0.17765	0.82235	0.53517
3	0.35530	0.17765	0.03517
4	0.17765	0.35530	0.53517
5	0.82235	0.17765	0.03517
6	0.64470	0.82235	0.53517
7	0.17765	0.35530	0.96483
8	0.82235	0.17765	0.46483
9	0.64470	0.82235	0.96483
10	0.82235	0.64470	0.46483
11	0.17765	0.82235	0.96483
12	0.35530	0.17765	0.46483

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	0.51220	0.02440	0.11054
2	0.48780	0.51220	0.61054
3	0.97560	0.48780	0.11054
4	0.48780	0.97560	0.61054
5	0.51220	0.48780	0.11054
6	0.02440	0.51220	0.61054
7	0.48780	0.97560	0.88946
8	0.51220	0.48780	0.38946
9	0.02440	0.51220	0.88946
10	0.51220	0.02440	0.38946
11	0.48780	0.51220	0.88946
12	0.97560	0.48780	0.38946

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

Atom	x	y	z
1	0.00000	0.00000	0.11473
2	0.00000	0.00000	0.61473
3	0.00000	0.00000	0.88527
4	0.00000	0.00000	0.38527

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

Atom	x	y	z
1	0.16173	0.32346	0.18037
2	0.83827	0.16173	0.68037
3	0.67654	0.83827	0.18037
4	0.83827	0.67654	0.68037
5	0.16173	0.83827	0.18037
6	0.32346	0.16173	0.68037
7	0.83827	0.67654	0.81963
8	0.16173	0.83827	0.31963
9	0.32346	0.16173	0.81963
10	0.16173	0.32346	0.31963
11	0.83827	0.16173	0.81963
12	0.67654	0.83827	0.31963

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

Atom	x	y	z
1	0.33333	0.66667	0.81945
2	0.66666	0.33333	0.31945
3	0.66667	0.33333	0.18055
4	0.33334	0.66667	0.68055

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

Atom	x	y	z
1	0.48415	0.96830	0.25000
2	0.51585	0.48415	0.75000
3	0.03170	0.51585	0.25000
4	0.51585	0.03170	0.75000
5	0.48415	0.51585	0.25000
6	0.96830	0.48415	0.75000

[Hide]

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Fe7PR	Fe	0.33333	0.66667	0.74525	0.5	4	0,0,m_z	3.5(6)	3.50
Fe4OS	Fe	0.33333	0.66667	0.92472	0.972	4	0,0,m_z	3.4(5)	3.40
Fe3OSS	Fe	0.50000	0.00000	0.00000	1.	6	m_x,2m_x,m_z	2.4(5)	2.40
Fe1TS	Fe	0.00000	0.00000	0.05650	0.448	1	0,0,m_z	-1.6(1.3)	1.60
Fe2TS	Fe	0.33333	0.66667	0.09400	0.764	4	0,0,m_z	-3.5(6)	3.50
Fe6OR	Fe	0.33333	0.66667	0.20856	0.968	4	0,0,m_z	-4.4(4)	4.40
Fe5ORS	Fe	0.83606	0.67212	0.15139	0.965	12	m_x,2m_x,m_z	2.9(3)	2.90

[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: