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_x	M_y	M_z	\|M\|
Fe1	Fe	0	0	0.056509(16)	0.421(2)	4	0,0,m_z	0.0	0.0	-3.99(4)	3.99
Fe2	Fe	0.3333333	0.6666667	0.593990(13)	0.860(3)	4	0,0,m_z	0.0	0.0	-4.511(17)	4.51
Fe3	Fe	0.5	0	0	0.9023(19)	6	m_x,2m_x,m_z	-0.159(9)	-0.319(18)	2.991(17)	3.00
Fe4	Fe	0.3333333	0.6666667	0.424857(13)	1.000(3)	4	0,0,m_z	0.0	0.0	-3.554(13)	3.55
Fe5	Fe	0.16376(3)	0.32752(5)	0.151305(6)	1.000(2)	12	m_x,2m_x,m_z	0.162(7)	0.324(13)	3.091(5)	3.10
Fe6	Fe	0.3333333	0.6666667	0.708565(12)	0.966(3)	4	0,0,m_z	0.0	0.0	-4.353(15)	4.35
Fe7	Fe	0.3333333	0.6666667	0.24507(3)	0.5	4	0,0,m_z	0.0	0.0	3.786(14)	3.79

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Sr1	Sr	0	0	0.25	1	2
Zn1	Zn	0	0	0.056509(16)	0.579(2)	4
Zn2	Zn	0.3333333	0.6666667	0.593990(13)	0.140(3)	4
Zn3	Zn	0.5	0	0	0.0977(19)	6
Zn4	Zn	0.3333333	0.6666667	0.424857(13)	0.000(3)	4
Zn5	Zn	0.16376(3)	0.32752(5)	0.151305(6)	0.000(2)	12
Zn6	Zn	0.3333333	0.6666667	0.708565(12)	0.034(3)	4
O1	O	0.17811(5)	0.35622(11)	0.035224(12)	1	12
O2	O	0.3333333	0.6666667	0.53490(2)	1	4
O3	O	0.48905(6)	-0.02189(12)	0.110539(13)	1	12
O4	O	0	0	0.11473(2)	1	4
O5	O	0.83720(6)	0.67441(12)	0.180521(11)	1	12
O6	O	0.3333333	0.6666667	0.31943(2)	1	4
O7	O	0.51523(8)	0.03045(17)	0.25	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 Fe1:

Atom	z	Symmetry constraints on M	M_z
1	0.05651	0,0,m_z	-3.99000
2	0.55651	0,0,m_z	-3.99000
3	0.94349	0,0,m_z	-3.99000
4	0.44349	0,0,m_z	-3.99000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2:

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.33333	0.66667	0.59399	0,0,m_z	-4.51100
2	0.66667	0.33333	0.09399	0,0,m_z	-4.51100
3	0.66667	0.33333	0.40601	0,0,m_z	-4.51100
4	0.33333	0.66667	0.90601	0,0,m_z	-4.51100

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	0.50000	0.00000	0.00000	m_x,2m_x,m_z	-0.15900	-0.31900	2.99100
2	0.50000	0.50000	0.50000	-m_x,m_x,m_z	0.16000	-0.15900	2.99100
3	0.00000	0.50000	0.00000	-2m_x,-m_x,m_z	0.31900	0.16000	2.99100
4	0.50000	0.00000	0.50000	-m_x,-2m_x,m_z	0.15900	0.31900	2.99100
5	0.50000	0.50000	0.00000	m_x,-m_x,m_z	-0.16000	0.15900	2.99100
6	0.00000	0.50000	0.50000	2m_x,m_x,m_z	-0.31900	-0.16000	2.99100

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe4:

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.33333	0.66667	0.42486	0,0,m_z	-3.55400
2	0.66667	0.33333	0.92486	0,0,m_z	-3.55400
3	0.66667	0.33333	0.57514	0,0,m_z	-3.55400
4	0.33333	0.66667	0.07514	0,0,m_z	-3.55400

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe5:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.16376	0.32752	0.15131	m_x,2m_x,m_z	0.16200	0.32400	3.09100
2	0.83624	0.16376	0.65131	-m_x,m_x,m_z	-0.16200	0.16200	3.09100
3	0.67248	0.83624	0.15131	-2m_x,-m_x,m_z	-0.32400	-0.16200	3.09100
4	0.83624	0.67248	0.65131	-m_x,-2m_x,m_z	-0.16200	-0.32400	3.09100
5	0.16376	0.83624	0.15131	m_x,-m_x,m_z	0.16200	-0.16200	3.09100
6	0.32752	0.16376	0.65131	2m_x,m_x,m_z	0.32400	0.16200	3.09100
7	0.83624	0.67248	0.84870	m_x,2m_x,m_z	0.16200	0.32400	3.09100
8	0.16376	0.83624	0.34870	-m_x,m_x,m_z	-0.16200	0.16200	3.09100
9	0.32752	0.16376	0.84870	-2m_x,-m_x,m_z	-0.32400	-0.16200	3.09100
10	0.16376	0.32752	0.34870	-m_x,-2m_x,m_z	-0.16200	-0.32400	3.09100
11	0.83624	0.16376	0.84870	m_x,-m_x,m_z	0.16200	-0.16200	3.09100
12	0.67248	0.83624	0.34870	2m_x,m_x,m_z	0.32400	0.16200	3.09100

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe6:

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.33333	0.66667	0.70857	0,0,m_z	-4.35300
2	0.66667	0.33333	0.20857	0,0,m_z	-4.35300
3	0.66667	0.33333	0.29144	0,0,m_z	-4.35300
4	0.33333	0.66667	0.79144	0,0,m_z	-4.35300

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe7:

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.33333	0.66667	0.24507	0,0,m_z	3.78600
2	0.66667	0.33333	0.74507	0,0,m_z	3.78600
3	0.66667	0.33333	0.75493	0,0,m_z	3.78600
4	0.33333	0.66667	0.25493	0,0,m_z	3.78600

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 Zn1:

Atom	x	y	z
1	0.00000	0.00000	0.05651
2	0.00000	0.00000	0.55651
3	0.00000	0.00000	0.94349
4	0.00000	0.00000	0.44349

Set of atoms in the unit cell related by symmetry with the atom Zn2:

Atom	x	y	z
1	0.33333	0.66667	0.59399
2	0.66667	0.33333	0.09399
3	0.66667	0.33333	0.40601
4	0.33333	0.66667	0.90601

Set of atoms in the unit cell related by symmetry with the atom Zn3:

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 Zn4:

Atom	x	y	z
1	0.33333	0.66667	0.42486
2	0.66667	0.33333	0.92486
3	0.66667	0.33333	0.57514
4	0.33333	0.66667	0.07514

Set of atoms in the unit cell related by symmetry with the atom Zn5:

Atom	x	y	z
1	0.16376	0.32752	0.15130
2	0.83624	0.16376	0.65131
3	0.67248	0.83624	0.15130
4	0.83624	0.67248	0.65131
5	0.16376	0.83624	0.15130
6	0.32752	0.16376	0.65131
7	0.83624	0.67248	0.84869
8	0.16376	0.83624	0.34869
9	0.32752	0.16376	0.84869
10	0.16376	0.32752	0.34869
11	0.83624	0.16376	0.84869
12	0.67248	0.83624	0.34869

Set of atoms in the unit cell related by symmetry with the atom Zn6:

Atom	x	y	z
1	0.33333	0.66667	0.70857
2	0.66667	0.33333	0.20857
3	0.66667	0.33333	0.29143
4	0.33333	0.66667	0.79143

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

Atom	x	y	z
1	0.17811	0.35622	0.03522
2	0.82189	0.17811	0.53522
3	0.64378	0.82189	0.03522
4	0.82189	0.64378	0.53522
5	0.17811	0.82189	0.03522
6	0.35622	0.17811	0.53522
7	0.82189	0.64378	0.96478
8	0.17811	0.82189	0.46478
9	0.35622	0.17811	0.96478
10	0.17811	0.35622	0.46478
11	0.82189	0.17811	0.96478
12	0.64378	0.82189	0.46478

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

Atom	x	y	z
1	0.33333	0.66667	0.53490
2	0.66667	0.33333	0.03490
3	0.66667	0.33333	0.46510
4	0.33333	0.66667	0.96510

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

Atom	x	y	z
1	0.48905	0.97811	0.11054
2	0.51094	0.48905	0.61054
3	0.02189	0.51094	0.11054
4	0.51095	0.02189	0.61054
5	0.48906	0.51095	0.11054
6	0.97811	0.48906	0.61054
7	0.51095	0.02189	0.88946
8	0.48906	0.51095	0.38946
9	0.97811	0.48906	0.88946
10	0.48905	0.97811	0.38946
11	0.51094	0.48905	0.88946
12	0.02189	0.51094	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	0.83720	0.67441	0.18052
2	0.16279	0.83720	0.68052
3	0.32559	0.16279	0.18052
4	0.16280	0.32559	0.68052
5	0.83721	0.16280	0.18052
6	0.67441	0.83721	0.68052
7	0.16280	0.32559	0.81948
8	0.83721	0.16280	0.31948
9	0.67441	0.83721	0.81948
10	0.83720	0.67441	0.31948
11	0.16279	0.83720	0.81948
12	0.32559	0.16279	0.31948

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

Atom	x	y	z
1	0.33333	0.66667	0.31943
2	0.66667	0.33333	0.81943
3	0.66667	0.33333	0.68057
4	0.33333	0.66667	0.18057

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

Atom	x	y	z
1	0.51523	0.03045	0.25000
2	0.48478	0.51523	0.75000
3	0.96955	0.48478	0.25000
4	0.48477	0.96955	0.75000
5	0.51522	0.48477	0.25000
6	0.03045	0.51522	0.75000

[Hide]

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0	0	0.056509(16)	0.421(2)	4	0,0,m_z	0.0	0.0	-3.99(4)	3.99
Fe2	Fe	0.3333333	0.6666667	0.593990(13)	0.860(3)	4	0,0,m_z	0.0	0.0	-4.511(17)	4.51
Fe3	Fe	0.5	0	0	0.9023(19)	6	m_x,2m_x,m_z	-0.159(9)	-0.319(18)	2.991(17)	3.00
Fe4	Fe	0.3333333	0.6666667	0.424857(13)	1.000(3)	4	0,0,m_z	0.0	0.0	-3.554(13)	3.55
Fe5	Fe	0.16376(3)	0.32752(5)	0.151305(6)	1.000(2)	12	m_x,2m_x,m_z	0.162(7)	0.324(13)	3.091(5)	3.10
Fe6	Fe	0.3333333	0.6666667	0.708565(12)	0.966(3)	4	0,0,m_z	0.0	0.0	-4.353(15)	4.35
Fe7	Fe	0.3333333	0.6666667	0.24507(3)	0.5	4	0,0,m_z	0.0	0.0	3.786(14)	3.79

[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: