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+1/2,z+1/2,+1	{ 6⁺₀₀₁ \| 0 1/2 1/2 }
3	-y+1/2,x-y+1/2,z,+1	{ 3⁺₀₀₁ \| 1/2 1/2 0 }
4	-x,-y,z+1/2,+1	{ 2₀₀₁ \| 0 0 1/2 }
5	-x+y,-x+1/2,z,+1	{ 3^-₀₀₁ \| 0 1/2 0 }
6	y+1/2,-x+y+1/2,z+1/2,+1	{ 6^-₀₀₁ \| 1/2 1/2 1/2 }
7	x-y,-y,-z,-1	{ 2'₁₀₀ \| 0 }
8	y+1/2,x+1/2,-z,-1	{ 2'₁₁₀ \| 1/2 1/2 0 }
9	-x,-x+y+1/2,-z,-1	{ 2'₀₁₀ \| 0 1/2 0 }
10	x,x-y+1/2,-z+1/2,-1	{ 2'₂₁₀ \| 0 1/2 1/2 }
11	-x+y,y,-z+1/2,-1	{ 2'₁₂₀ \| 0 0 1/2 }
12	-y+1/2,-x+1/2,-z+1/2,-1	{ 2'_1-10 \| 1/2 1/2 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,-y,-z,-1	2'₁₀₀
8	y,x,-z,-1	2'₁₁₀
9	-x,-x+y,-z,-1	2'₀₁₀
10	x,x-y,-z,-1	2'₂₁₀
11	-x+y,y,-z,-1	2'₁₂₀
12	-y,-x,-z,-1	2'_1-10

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1_1	Co	0.00000	0.00000	0.25000	1.00000	6	m_x,0,m_z	2.312(4)	0.0	-0.5	2.37
Co1_2	Co	0.50000	0.00000	0.25000	1.00000	2	0,0,m_z	0.0	0.0	0.5	0.50
Co2_1	Co	0.33333	0.16667	0.25000	1.00000	6	m_x,m_x,m_z	2.312(4)	2.312(4)	0.5	2.37
Co2_2	Co	0.16667	0.33333	0.75000	1.00000	2	0,0,m_z	0.0	0.0	-0.5	0.50

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Te1_1	Te	0.16667	0.33333	0.25000	1.00000	2
Te1_2	Te	0.33333	0.16667	0.75000	1.00000	6
O1_1	O	0.32455	0.48875	0.34540	1.00000	12
O1_2	O	0.51125	0.83580	0.34540	1.00000	12
O1_3	O	0.16420	0.67545	0.34540	1.00000	12
O1_4	O	0.82455	0.48875	0.34540	1.00000	12
Na1_1	Na	0.21500	0.29700	0.92300	0.09300	12
Na1_2	Na	0.70300	0.91800	0.92300	0.09300	12
Na1_3	Na	0.08200	0.78500	0.92300	0.09300	12
Na1_4	Na	0.71500	0.29700	0.92300	0.09300	12
Na2_1	Na	0.00000	0.00000	0.00000	0.36999	6
Na2_2	Na	0.50000	0.00000	0.00000	0.36995	2
Na3_1	Na	0.34950	0.03325	0.99790	0.25799	12
Na3_2	Na	0.96675	0.31625	0.99790	0.25799	12
Na3_3	Na	0.68375	0.65050	0.99790	0.25799	12
Na3_4	Na	0.84950	0.03325	0.99790	0.25799	12

[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 Co1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.25000	m_x,0,m_z	2.31200	0.00000	-0.50000
2	0.00000	0.50000	0.75000	m_x,m_x,m_z	2.31200	2.31200	-0.50000
3	0.50000	0.50000	0.25000	0,m_x,m_z	0.00000	2.31200	-0.50000
4	0.00000	0.00000	0.75000	-m_x,0,m_z	-2.31200	0.00000	-0.50000
5	0.00000	0.50000	0.25000	-m_x,-m_x,m_z	-2.31200	-2.31200	-0.50000
6	0.50000	0.50000	0.75000	0,-m_x,m_z	0.00000	-2.31200	-0.50000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.25000	0,0,m_z	0.00000	0.00000	0.50000
2	0.50000	0.00000	0.75000	0,0,m_z	0.00000	0.00000	0.50000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co2_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.33333	0.16667	0.25000	m_x,m_x,m_z	2.31200	2.31200	0.50000
2	0.16666	0.83333	0.75000	0,m_x,m_z	0.00000	2.31200	0.50000
3	0.33333	0.66666	0.25000	-m_x,0,m_z	-2.31200	0.00000	0.50000
4	0.66667	0.83333	0.75000	-m_x,-m_x,m_z	-2.31200	-2.31200	0.50000
5	0.83334	0.16667	0.25000	0,-m_x,m_z	0.00000	-2.31200	0.50000
6	0.66667	0.33334	0.75000	m_x,0,m_z	2.31200	0.00000	0.50000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co2_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.16667	0.33333	0.75000	0,0,m_z	0.00000	0.00000	-0.50000
2	0.83334	0.66667	0.25000	0,0,m_z	0.00000	0.00000	-0.50000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Te1_1:

Atom	x	y	z
1	0.16667	0.33333	0.25000
2	0.83334	0.66667	0.75000

Set of atoms in the unit cell related by symmetry with the atom Te1_2:

Atom	x	y	z
1	0.33333	0.16667	0.75000
2	0.16666	0.83333	0.25000
3	0.33333	0.66666	0.75000
4	0.66667	0.83333	0.25000
5	0.83334	0.16667	0.75000
6	0.66667	0.33334	0.25000

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

Atom	x	y	z
1	0.32455	0.48875	0.34540
2	0.83580	0.82455	0.84540
3	0.01125	0.33580	0.34540
4	0.67545	0.51125	0.84540
5	0.16420	0.17545	0.34540
6	0.98875	0.66420	0.84540
7	0.83580	0.51125	0.65460
8	0.98875	0.82455	0.65460
9	0.67545	0.66420	0.65460
10	0.32455	0.33580	0.15460
11	0.16420	0.48875	0.15460
12	0.01125	0.17545	0.15460

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

Atom	x	y	z
1	0.51125	0.83580	0.34540
2	0.67545	0.01125	0.84540
3	0.66420	0.17545	0.34540
4	0.48875	0.16420	0.84540
5	0.32455	0.98875	0.34540
6	0.33580	0.82455	0.84540
7	0.67545	0.16420	0.65460
8	0.33580	0.01125	0.65460
9	0.48875	0.82455	0.65460
10	0.51125	0.17545	0.15460
11	0.32455	0.83580	0.15460
12	0.66420	0.98875	0.15460

Set of atoms in the unit cell related by symmetry with the atom O1_3:

Atom	x	y	z
1	0.16420	0.67545	0.34540
2	0.48875	0.66420	0.84540
3	0.82455	0.98875	0.34540
4	0.83580	0.32455	0.84540
5	0.51125	0.33580	0.34540
6	0.17545	0.01125	0.84540
7	0.48875	0.32455	0.65460
8	0.17545	0.66420	0.65460
9	0.83580	0.01125	0.65460
10	0.16420	0.98875	0.15460
11	0.51125	0.67545	0.15460
12	0.82455	0.33580	0.15460

Set of atoms in the unit cell related by symmetry with the atom O1_4:

Atom	x	y	z
1	0.82455	0.48875	0.34540
2	0.33580	0.32455	0.84540
3	0.01125	0.83580	0.34540
4	0.17545	0.51125	0.84540
5	0.66420	0.67545	0.34540
6	0.98875	0.16420	0.84540
7	0.33580	0.51125	0.65460
8	0.98875	0.32455	0.65460
9	0.17545	0.16420	0.65460
10	0.82455	0.83580	0.15460
11	0.66420	0.48875	0.15460
12	0.01125	0.67545	0.15460

Set of atoms in the unit cell related by symmetry with the atom Na1_1:

Atom	x	y	z
1	0.21500	0.29700	0.92300
2	0.91800	0.71500	0.42300
3	0.20300	0.41800	0.92300
4	0.78500	0.70300	0.42300
5	0.08200	0.28500	0.92300
6	0.79700	0.58200	0.42300
7	0.91800	0.70300	0.07700
8	0.79700	0.71500	0.07700
9	0.78500	0.58200	0.07700
10	0.21500	0.41800	0.57700
11	0.08200	0.29700	0.57700
12	0.20300	0.28500	0.57700

Set of atoms in the unit cell related by symmetry with the atom Na1_2:

Atom	x	y	z
1	0.70300	0.91800	0.92300
2	0.78500	0.20300	0.42300
3	0.58200	0.28500	0.92300
4	0.29700	0.08200	0.42300
5	0.21500	0.79700	0.92300
6	0.41800	0.71500	0.42300
7	0.78500	0.08200	0.07700
8	0.41800	0.20300	0.07700
9	0.29700	0.71500	0.07700
10	0.70300	0.28500	0.57700
11	0.21500	0.91800	0.57700
12	0.58200	0.79700	0.57700

Set of atoms in the unit cell related by symmetry with the atom Na1_3:

Atom	x	y	z
1	0.08200	0.78500	0.92300
2	0.29700	0.58200	0.42300
3	0.71500	0.79700	0.92300
4	0.91800	0.21500	0.42300
5	0.70300	0.41800	0.92300
6	0.28500	0.20300	0.42300
7	0.29700	0.21500	0.07700
8	0.28500	0.58200	0.07700
9	0.91800	0.20300	0.07700
10	0.08200	0.79700	0.57700
11	0.70300	0.78500	0.57700
12	0.71500	0.41800	0.57700

Set of atoms in the unit cell related by symmetry with the atom Na1_4:

Atom	x	y	z
1	0.71500	0.29700	0.92300
2	0.41800	0.21500	0.42300
3	0.20300	0.91800	0.92300
4	0.28500	0.70300	0.42300
5	0.58200	0.78500	0.92300
6	0.79700	0.08200	0.42300
7	0.41800	0.70300	0.07700
8	0.79700	0.21500	0.07700
9	0.28500	0.08200	0.07700
10	0.71500	0.91800	0.57700
11	0.58200	0.29700	0.57700
12	0.20300	0.78500	0.57700

Set of atoms in the unit cell related by symmetry with the atom Na2_1:

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

Set of atoms in the unit cell related by symmetry with the atom Na2_2:

Atom	x	y	z
1	0.50000	0.00000	0.00000
2	0.50000	0.00000	0.50000

Set of atoms in the unit cell related by symmetry with the atom Na3_1:

Atom	x	y	z
1	0.34950	0.03325	0.99790
2	0.31625	0.84950	0.49790
3	0.46675	0.81625	0.99790
4	0.65050	0.96675	0.49790
5	0.68375	0.15050	0.99790
6	0.53325	0.18375	0.49790
7	0.31625	0.96675	0.00210
8	0.53325	0.84950	0.00210
9	0.65050	0.18375	0.00210
10	0.34950	0.81625	0.50210
11	0.68375	0.03325	0.50210
12	0.46675	0.15050	0.50210

Set of atoms in the unit cell related by symmetry with the atom Na3_2:

Atom	x	y	z
1	0.96675	0.31625	0.99790
2	0.65050	0.46675	0.49790
3	0.18375	0.15050	0.99790
4	0.03325	0.68375	0.49790
5	0.34950	0.53325	0.99790
6	0.81625	0.84950	0.49790
7	0.65050	0.68375	0.00210
8	0.81625	0.46675	0.00210
9	0.03325	0.84950	0.00210
10	0.96675	0.15050	0.50210
11	0.34950	0.31625	0.50210
12	0.18375	0.53325	0.50210

Set of atoms in the unit cell related by symmetry with the atom Na3_3:

Atom	x	y	z
1	0.68375	0.65050	0.99790
2	0.03325	0.18375	0.49790
3	0.84950	0.53325	0.99790
4	0.31625	0.34950	0.49790
5	0.96675	0.81625	0.99790
6	0.15050	0.46675	0.49790
7	0.03325	0.34950	0.00210
8	0.15050	0.18375	0.00210
9	0.31625	0.46675	0.00210
10	0.68375	0.53325	0.50210
11	0.96675	0.65050	0.50210
12	0.84950	0.81625	0.50210

Set of atoms in the unit cell related by symmetry with the atom Na3_4:

Atom	x	y	z
1	0.84950	0.03325	0.99790
2	0.81625	0.34950	0.49790
3	0.46675	0.31625	0.99790
4	0.15050	0.96675	0.49790
5	0.18375	0.65050	0.99790
6	0.53325	0.68375	0.49790
7	0.81625	0.96675	0.00210
8	0.53325	0.34950	0.00210
9	0.15050	0.68375	0.00210
10	0.84950	0.31625	0.50210
11	0.18375	0.03325	0.50210
12	0.46675	0.65050	0.50210

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1_1	Co	0.00000	0.00000	0.25000	6	m_x,0,m_z	2.312(4)	0.0	-0.5	2.37
Co1_2	Co	0.50000	0.00000	0.25000	2	0,0,m_z	0.0	0.0	0.5	0.50
Co2_1	Co	0.33333	0.16667	0.25000	6	m_x,m_x,m_z	2.312(4)	2.312(4)	0.5	2.37
Co2_2	Co	0.16667	0.33333	0.75000	2	0,0,m_z	0.0	0.0	-0.5	0.50

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes	presence
mM2	3	1	special-2	primary	4
mGM2	1	1		secondary	2	yes

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

Na₂Co₂TeO₆ (#3.29)

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

Na2Co2TeO6 (#3.29)

Na₂Co₂TeO₆ (#3.29)