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

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Symmetry operations of the magnetic point group in the setting used:

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

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cu1	Cu	0.00000	0.00000	0.00000	8	m_x,m_y,0	-0.69(6)	0.0	0.0	0.69

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Sr1	Sr	0.00000	0.25000	0.25000	16
Te1	Te	0.00000	0.00000	0.50000	8
O1_1	O	0.15130	0.10365	0.00000	16
O1_2	O	0.89635	0.15130	0.00000	16
O2	O	0.00000	0.00000	0.27500	16

[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 Cu1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_y,0	-0.69000	0.00000	0.00000
(1/4,3/4,1/2) + set click here to show and hide
2	0.25000	0.75000	0.50000	m_x,m_y,0	-0.69000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.50000	0.00000	m_x,m_y,0	-0.69000	0.00000	0.00000
(3/4,1/4,1/2) + set click here to show and hide
4	0.75000	0.25000	0.50000	m_x,m_y,0	-0.69000	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
5	0.50000	0.00000	0.00000	-m_x,-m_y,0	0.69000	0.00000	0.00000
(3/4,3/4,1/2)' + set click here to show and hide
6	0.75000	0.75000	0.50000	-m_x,-m_y,0	0.69000	0.00000	0.00000
(0,1/2,0)' + set click here to show and hide
7	0.00000	0.50000	0.00000	-m_x,-m_y,0	0.69000	0.00000	0.00000
(1/4,1/4,1/2)' + set click here to show and hide
8	0.25000	0.25000	0.50000	-m_x,-m_y,0	0.69000	0.00000	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	0.25000	0.25000
2	0.00000	0.75000	0.75000
(1/4,3/4,1/2) + set click here to show and hide
3	0.25000	0.00000	0.75000
4	0.25000	0.50000	0.25000
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.75000	0.25000
6	0.50000	0.25000	0.75000
(3/4,1/4,1/2) + set click here to show and hide
7	0.75000	0.50000	0.75000
8	0.75000	0.00000	0.25000
(1/2,0,0)' + set click here to show and hide
9	0.50000	0.25000	0.25000
10	0.50000	0.75000	0.75000
(3/4,3/4,1/2)' + set click here to show and hide
11	0.75000	0.00000	0.75000
12	0.75000	0.50000	0.25000
(0,1/2,0)' + set click here to show and hide
13	0.00000	0.75000	0.25000
14	0.00000	0.25000	0.75000
(1/4,1/4,1/2)' + set click here to show and hide
15	0.25000	0.50000	0.75000
16	0.25000	0.00000	0.25000

Set of atoms in the unit cell related by symmetry with the atom Te1:

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

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

Atom	x	y	z
1	0.15130	0.10365	0.00000
2	0.34870	0.89635	0.00000
(1/4,3/4,1/2) + set click here to show and hide
3	0.40130	0.85365	0.50000
4	0.59870	0.64635	0.50000
(1/2,1/2,0) + set click here to show and hide
5	0.65130	0.60365	0.00000
6	0.84870	0.39635	0.00000
(3/4,1/4,1/2) + set click here to show and hide
7	0.90130	0.35365	0.50000
8	0.09870	0.14635	0.50000
(1/2,0,0)' + set click here to show and hide
9	0.65130	0.10365	0.00000
10	0.84870	0.89635	0.00000
(3/4,3/4,1/2)' + set click here to show and hide
11	0.90130	0.85365	0.50000
12	0.09870	0.64635	0.50000
(0,1/2,0)' + set click here to show and hide
13	0.15130	0.60365	0.00000
14	0.34870	0.39635	0.00000
(1/4,1/4,1/2)' + set click here to show and hide
15	0.40130	0.35365	0.50000
16	0.59870	0.14635	0.50000

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

Atom	x	y	z
1	0.89635	0.15130	0.00000
2	0.60365	0.84870	0.00000
(1/4,3/4,1/2) + set click here to show and hide
3	0.14635	0.90130	0.50000
4	0.85365	0.59870	0.50000
(1/2,1/2,0) + set click here to show and hide
5	0.39635	0.65130	0.00000
6	0.10365	0.34870	0.00000
(3/4,1/4,1/2) + set click here to show and hide
7	0.64635	0.40130	0.50000
8	0.35365	0.09870	0.50000
(1/2,0,0)' + set click here to show and hide
9	0.39635	0.15130	0.00000
10	0.10365	0.84870	0.00000
(3/4,3/4,1/2)' + set click here to show and hide
11	0.64635	0.90130	0.50000
12	0.35365	0.59870	0.50000
(0,1/2,0)' + set click here to show and hide
13	0.89635	0.65130	0.00000
14	0.60365	0.34870	0.00000
(1/4,1/4,1/2)' + set click here to show and hide
15	0.14635	0.40130	0.50000
16	0.85365	0.09870	0.50000

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

Atom	x	y	z
1	0.00000	0.00000	0.27500
2	0.00000	0.00000	0.72500
(1/4,3/4,1/2) + set click here to show and hide
3	0.25000	0.75000	0.77500
4	0.25000	0.75000	0.22500
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.50000	0.27500
6	0.50000	0.50000	0.72500
(3/4,1/4,1/2) + set click here to show and hide
7	0.75000	0.25000	0.77500
8	0.75000	0.25000	0.22500
(1/2,0,0)' + set click here to show and hide
9	0.50000	0.00000	0.27500
10	0.50000	0.00000	0.72500
(3/4,3/4,1/2)' + set click here to show and hide
11	0.75000	0.75000	0.77500
12	0.75000	0.75000	0.22500
(0,1/2,0)' + set click here to show and hide
13	0.00000	0.50000	0.27500
14	0.00000	0.50000	0.72500
(1/4,1/4,1/2)' + set click here to show and hide
15	0.25000	0.25000	0.77500
16	0.25000	0.25000	0.22500

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cu1	Cu	0.00000	0.00000	0.00000	8	m_x,m_y,0	-0.69(6)	0.0	0.0	0.69

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

label	dim. small irrep	dim. full irrep	action	number of modes
mX2+	1	2	primary	2

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

Sr₂CuTeO₆ (#1.168)

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

Sr2CuTeO6 (#1.168)

Sr₂CuTeO₆ (#1.168)