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,-z,-1	{ -1' \| 0 }
3	x,y,-z,+1	{ m₀₀₁ \| 0 }
4	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
(1/2,1/2,0) + set click here to show and hide
5	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
6	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }
7	x+1/2,y+1/2,-z,+1	{ m₀₀₁ \| 1/2 1/2 0 }
8	-x+1/2,-y+1/2,z,-1	{ 2'₀₀₁ \| 1/2 1/2 0 }
(1/4,3/4,1/2) + set click here to show and hide
9	x+1/4,y+3/4,z+1/2,+1	{ 1 \| 1/4 3/4 1/2 }
10	-x+1/4,-y+3/4,-z+1/2,-1	{ -1' \| 1/4 3/4 1/2 }
11	x+1/4,y+3/4,-z+1/2,+1	{ m₀₀₁ \| 1/4 3/4 1/2 }
12	-x+1/4,-y+3/4,z+1/2,-1	{ 2'₀₀₁ \| 1/4 3/4 1/2 }
(3/4,1/4,1/2) + set click here to show and hide
13	x+3/4,y+1/4,z+1/2,+1	{ 1 \| 3/4 1/4 1/2 }
14	-x+3/4,-y+1/4,-z+1/2,-1	{ -1' \| 3/4 1/4 1/2 }
15	x+3/4,y+1/4,-z+1/2,+1	{ m₀₀₁ \| 3/4 1/4 1/2 }
16	-x+3/4,-y+1/4,z+1/2,-1	{ 2'₀₀₁ \| 3/4 1/4 1/2 }
(0,1/2,0)' + set click here to show and hide
17	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
18	-x,-y+1/2,-z,+1	{ -1 \| 0 1/2 0 }
19	x,y+1/2,-z,-1	{ m'₀₀₁ \| 0 1/2 0 }
20	-x,-y+1/2,z,+1	{ 2₀₀₁ \| 0 1/2 0 }
(1/2,0,0)' + set click here to show and hide
21	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
22	-x+1/2,-y,-z,+1	{ -1 \| 1/2 0 0 }
23	x+1/2,y,-z,-1	{ m'₀₀₁ \| 1/2 0 0 }
24	-x+1/2,-y,z,+1	{ 2₀₀₁ \| 1/2 0 0 }
(1/4,1/4,1/2)' + set click here to show and hide
25	x+1/4,y+1/4,z+1/2,-1	{ 1' \| 1/4 1/4 1/2 }
26	-x+1/4,-y+1/4,-z+1/2,+1	{ -1 \| 1/4 1/4 1/2 }
27	x+1/4,y+1/4,-z+1/2,-1	{ m'₀₀₁ \| 1/4 1/4 1/2 }
28	-x+1/4,-y+1/4,z+1/2,+1	{ 2₀₀₁ \| 1/4 1/4 1/2 }
(3/4,3/4,1/2)' + set click here to show and hide
29	x+3/4,y+3/4,z+1/2,-1	{ 1' \| 3/4 3/4 1/2 }
30	-x+3/4,-y+3/4,-z+1/2,+1	{ -1 \| 3/4 3/4 1/2 }
31	x+3/4,y+3/4,-z+1/2,-1	{ m'₀₀₁ \| 3/4 3/4 1/2 }
32	-x+3/4,-y+3/4,z+1/2,+1	{ 2₀₀₁ \| 3/4 3/4 1/2 }

[Hide]

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
3	x,y,-z,+1	m₀₀₁
6	-x,-y,-z,+1	-1
8	-x,-y,z,+1	2₀₀₁
1' + set click here to show and hide
5	x,y,z,-1	1'
6	x,y,-z,-1	m'₀₀₁
7	-x,-y,-z,-1	-1'
8	-x,-y,z,-1	2'₀₀₁

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.07843(9)	16	m_x,m_y,0	3.05(3)	0.46(5)	0.0	3.08

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Sr1	Sr	0.00000	0.00000	0.50000	8
Sr2	Sr	0.00000	0.00000	0.34295(11)	16
Cl1	Cl	0.00000	0.00000	0.20476(9)	16
O1_1	O	0.00000	0.25000	0.08957(9)	16
O1_2	O	0.25000	0.00000	0.08957(9)	16
O2	O	0.00000	0.00000	0.00000	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:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.07843	m_x,m_y,0	3.05000	0.46000	0.00000
2	0.00000	0.00000	0.92157	-m_x,-m_y,0	-3.05000	-0.46000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.50000	0.07843	m_x,m_y,0	3.05000	0.46000	0.00000
4	0.50000	0.50000	0.92157	-m_x,-m_y,0	-3.05000	-0.46000	0.00000
(1/4,3/4,1/2) + set click here to show and hide
5	0.25000	0.75000	0.57843	m_x,m_y,0	3.05000	0.46000	0.00000
6	0.25000	0.75000	0.42157	-m_x,-m_y,0	-3.05000	-0.46000	0.00000
(3/4,1/4,1/2) + set click here to show and hide
7	0.75000	0.25000	0.57843	m_x,m_y,0	3.05000	0.46000	0.00000
8	0.75000	0.25000	0.42157	-m_x,-m_y,0	-3.05000	-0.46000	0.00000
(0,1/2,0)' + set click here to show and hide
9	0.00000	0.50000	0.07843	-m_x,-m_y,0	-3.05000	-0.46000	0.00000
10	0.00000	0.50000	0.92157	m_x,m_y,0	3.05000	0.46000	0.00000
(1/2,0,0)' + set click here to show and hide
11	0.50000	0.00000	0.07843	-m_x,-m_y,0	-3.05000	-0.46000	0.00000
12	0.50000	0.00000	0.92157	m_x,m_y,0	3.05000	0.46000	0.00000
(1/4,1/4,1/2)' + set click here to show and hide
13	0.25000	0.25000	0.57843	-m_x,-m_y,0	-3.05000	-0.46000	0.00000
14	0.25000	0.25000	0.42157	m_x,m_y,0	3.05000	0.46000	0.00000
(3/4,3/4,1/2)' + set click here to show and hide
15	0.75000	0.75000	0.57843	-m_x,-m_y,0	-3.05000	-0.46000	0.00000
16	0.75000	0.75000	0.42157	m_x,m_y,0	3.05000	0.46000	0.00000

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	0.50000
(1/2,1/2,0) + set click here to show and hide
2	0.50000	0.50000	0.50000
(1/4,3/4,1/2) + set click here to show and hide
3	0.25000	0.75000	0.00000
(3/4,1/4,1/2) + set click here to show and hide
4	0.75000	0.25000	0.00000
(0,1/2,0)' + set click here to show and hide
5	0.00000	0.50000	0.50000
(1/2,0,0)' + set click here to show and hide
6	0.50000	0.00000	0.50000
(1/4,1/4,1/2)' + set click here to show and hide
7	0.25000	0.25000	0.00000
(3/4,3/4,1/2)' + set click here to show and hide
8	0.75000	0.75000	0.00000

Set of atoms in the unit cell related by symmetry with the atom Sr2:

Atom	x	y	z
1	0.00000	0.00000	0.34295
2	0.00000	0.00000	0.65705
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.50000	0.34295
4	0.50000	0.50000	0.65705
(1/4,3/4,1/2) + set click here to show and hide
5	0.25000	0.75000	0.84295
6	0.25000	0.75000	0.15705
(3/4,1/4,1/2) + set click here to show and hide
7	0.75000	0.25000	0.84295
8	0.75000	0.25000	0.15705
(0,1/2,0)' + set click here to show and hide
9	0.00000	0.50000	0.34295
10	0.00000	0.50000	0.65705
(1/2,0,0)' + set click here to show and hide
11	0.50000	0.00000	0.34295
12	0.50000	0.00000	0.65705
(1/4,1/4,1/2)' + set click here to show and hide
13	0.25000	0.25000	0.84295
14	0.25000	0.25000	0.15705
(3/4,3/4,1/2)' + set click here to show and hide
15	0.75000	0.75000	0.84295
16	0.75000	0.75000	0.15705

Set of atoms in the unit cell related by symmetry with the atom Cl1:

Atom	x	y	z
1	0.00000	0.00000	0.20476
2	0.00000	0.00000	0.79524
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.50000	0.20476
4	0.50000	0.50000	0.79524
(1/4,3/4,1/2) + set click here to show and hide
5	0.25000	0.75000	0.70476
6	0.25000	0.75000	0.29524
(3/4,1/4,1/2) + set click here to show and hide
7	0.75000	0.25000	0.70476
8	0.75000	0.25000	0.29524
(0,1/2,0)' + set click here to show and hide
9	0.00000	0.50000	0.20476
10	0.00000	0.50000	0.79524
(1/2,0,0)' + set click here to show and hide
11	0.50000	0.00000	0.20476
12	0.50000	0.00000	0.79524
(1/4,1/4,1/2)' + set click here to show and hide
13	0.25000	0.25000	0.70476
14	0.25000	0.25000	0.29524
(3/4,3/4,1/2)' + set click here to show and hide
15	0.75000	0.75000	0.70476
16	0.75000	0.75000	0.29524

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

Atom	x	y	z
1	0.00000	0.25000	0.08957
2	0.00000	0.75000	0.91043
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.75000	0.08957
4	0.50000	0.25000	0.91043
(1/4,3/4,1/2) + set click here to show and hide
5	0.25000	0.00000	0.58957
6	0.25000	0.50000	0.41043
(3/4,1/4,1/2) + set click here to show and hide
7	0.75000	0.50000	0.58957
8	0.75000	0.00000	0.41043
(0,1/2,0)' + set click here to show and hide
9	0.00000	0.75000	0.08957
10	0.00000	0.25000	0.91043
(1/2,0,0)' + set click here to show and hide
11	0.50000	0.25000	0.08957
12	0.50000	0.75000	0.91043
(1/4,1/4,1/2)' + set click here to show and hide
13	0.25000	0.50000	0.58957
14	0.25000	0.00000	0.41043
(3/4,3/4,1/2)' + set click here to show and hide
15	0.75000	0.00000	0.58957
16	0.75000	0.50000	0.41043

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

Atom	x	y	z
1	0.25000	0.00000	0.08957
2	0.75000	0.00000	0.91043
(1/2,1/2,0) + set click here to show and hide
3	0.75000	0.50000	0.08957
4	0.25000	0.50000	0.91043
(1/4,3/4,1/2) + set click here to show and hide
5	0.50000	0.75000	0.58957
6	0.00000	0.75000	0.41043
(3/4,1/4,1/2) + set click here to show and hide
7	0.00000	0.25000	0.58957
8	0.50000	0.25000	0.41043
(0,1/2,0)' + set click here to show and hide
9	0.25000	0.50000	0.08957
10	0.75000	0.50000	0.91043
(1/2,0,0)' + set click here to show and hide
11	0.75000	0.00000	0.08957
12	0.25000	0.00000	0.91043
(1/4,1/4,1/2)' + set click here to show and hide
13	0.50000	0.25000	0.58957
14	0.00000	0.25000	0.41043
(3/4,3/4,1/2)' + set click here to show and hide
15	0.00000	0.75000	0.58957
16	0.50000	0.75000	0.41043

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

Atom	x	y	z
1	0.00000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
2	0.50000	0.50000	0.00000
(1/4,3/4,1/2) + set click here to show and hide
3	0.25000	0.75000	0.50000
(3/4,1/4,1/2) + set click here to show and hide
4	0.75000	0.25000	0.50000
(0,1/2,0)' + set click here to show and hide
5	0.00000	0.50000	0.00000
(1/2,0,0)' + set click here to show and hide
6	0.50000	0.00000	0.00000
(1/4,1/4,1/2)' + set click here to show and hide
7	0.25000	0.25000	0.50000
(3/4,3/4,1/2)' + set click here to show and hide
8	0.75000	0.75000	0.50000

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.07843(9)	16	m_x,m_y,0	3.05(3)	0.46(5)	0.0	3.08

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

label	dim. small irrep	dim. full irrep	action	number of modes
mX3-	1	2	primary	1
mX4-	1	2	primary	1

MAGNDATA: A Collection of magnetic structures with portable cif-type files

Sr₃Fe₂O₅Cl₂ (#1.841)

MAGNDATA: A Collection of magnetic structures with portable cif-type files

Sr3Fe2O5Cl2 (#1.841)

Sr₃Fe₂O₅Cl₂ (#1.841)