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	{ 2₀₁₀ \| 0 }
3	x,-y+1/2,-z+1/2,+1	{ 2₁₀₀ \| 0 1/2 1/2 }
4	-x,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 0 1/2 1/2 }
5	-x,-y,-z,+1	{ -1 \| 0 }
6	x,-y,z,+1	{ m₀₁₀ \| 0 }
7	-x,y+1/2,z+1/2,+1	{ m₁₀₀ \| 0 1/2 1/2 }
8	x,y+1/2,-z+1/2,+1	{ m₀₀₁ \| 0 1/2 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+1/2,y+1/2,-z,+1	{ 2₀₁₀ \| 1/2 1/2 0 }
11	x+1/2,-y,-z+1/2,+1	{ 2₁₀₀ \| 1/2 0 1/2 }
12	-x+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
13	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
14	x+1/2,-y+1/2,z,+1	{ m₀₁₀ \| 1/2 1/2 0 }
15	-x+1/2,y,z+1/2,+1	{ m₁₀₀ \| 1/2 0 1/2 }
16	x+1/2,y,-z+1/2,+1	{ m₀₀₁ \| 1/2 0 1/2 }
(0,1/2,1/2)' + set click here to show and hide
17	x,y+1/2,z+1/2,-1	{ 1' \| 0 1/2 1/2 }
18	-x,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 0 1/2 1/2 }
19	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
20	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
21	-x,-y+1/2,-z+1/2,-1	{ -1' \| 0 1/2 1/2 }
22	x,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 0 1/2 1/2 }
23	-x,y,z,-1	{ m'₁₀₀ \| 0 }
24	x,y,-z,-1	{ m'₀₀₁ \| 0 }
(1/2,0,1/2)' + set click here to show and hide
25	x+1/2,y,z+1/2,-1	{ 1' \| 1/2 0 1/2 }
26	-x+1/2,y,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 0 1/2 }
27	x+1/2,-y+1/2,-z,-1	{ 2'₁₀₀ \| 1/2 1/2 0 }
28	-x+1/2,-y+1/2,z,-1	{ 2'₀₀₁ \| 1/2 1/2 0 }
29	-x+1/2,-y,-z+1/2,-1	{ -1' \| 1/2 0 1/2 }
30	x+1/2,-y,z+1/2,-1	{ m'₀₁₀ \| 1/2 0 1/2 }
31	-x+1/2,y+1/2,z,-1	{ m'₁₀₀ \| 1/2 1/2 0 }
32	x+1/2,y+1/2,-z,-1	{ m'₀₀₁ \| 1/2 1/2 0 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
3	x,-y,-z,+1	2₁₀₀
4	-x,-y,z,+1	2₀₀₁
5	-x,-y,-z,+1	-1
6	x,-y,z,+1	m₀₁₀
7	-x,y,z,+1	m₁₀₀
8	x,y,-z,+1	m₀₀₁
1' + set click here to show and hide
9	x,y,z,-1	1'
10	-x,y,-z,-1	2'₀₁₀
11	x,-y,-z,-1	2'₁₀₀
12	-x,-y,z,-1	2'₀₀₁
13	-x,-y,-z,-1	-1'
14	x,-y,z,-1	m'₀₁₀
15	-x,y,z,-1	m'₁₀₀
16	x,y,-z,-1	m'₀₀₁

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_y	\|M\|
Mn1_1	Mn	0.6969(3)	0.00000	0.00000	8	0,m_y,0	-4.45(5)	4.45
Mn1_2	Mn	0.00000	0.6969	0.00000	8	0,m_y,0	4.45	4.45
Mn1_3	Mn	0.00000	0.00000	0.69690	8	0,m_y,0	0.0	0.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ni1	Ni	0.33322(11)	0.33322	0.33322	32
Ni2	Ni	0.11780(12)	0.11780	0.11780	32
Si1	Si	0.00000	0.00000	0.00000	4
Si2_1	Si	0.00000	0.25000	0.25000	8
Si2_2	Si	0.25000	0.00000	0.25000	8
Si2_3	Si	0.25000	0.25000	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 Mn1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.69690	0.00000	0.00000	0,m_y,0	0.00000	-4.45000	0.00000
2	0.30310	0.00000	0.00000	0,m_y,0	0.00000	-4.45000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.19690	0.50000	0.00000	0,m_y,0	0.00000	-4.45000	0.00000
4	0.80310	0.50000	0.00000	0,m_y,0	0.00000	-4.45000	0.00000
(0,1/2,1/2)' + set click here to show and hide
5	0.69690	0.50000	0.50000	0,-m_y,0	0.00000	4.45000	0.00000
6	0.30310	0.50000	0.50000	0,-m_y,0	0.00000	4.45000	0.00000
(1/2,0,1/2)' + set click here to show and hide
7	0.19690	0.00000	0.50000	0,-m_y,0	0.00000	4.45000	0.00000
8	0.80310	0.00000	0.50000	0,-m_y,0	0.00000	4.45000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.69690	0.00000	0,m_y,0	0.00000	4.45000	0.00000
2	0.00000	0.80310	0.50000	0,-m_y,0	0.00000	-4.45000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.19690	0.00000	0,m_y,0	0.00000	4.45000	0.00000
4	0.50000	0.30310	0.50000	0,-m_y,0	0.00000	-4.45000	0.00000
(0,1/2,1/2)' + set click here to show and hide
5	0.00000	0.19690	0.50000	0,-m_y,0	0.00000	-4.45000	0.00000
6	0.00000	0.30310	0.00000	0,m_y,0	0.00000	4.45000	0.00000
(1/2,0,1/2)' + set click here to show and hide
7	0.50000	0.69690	0.50000	0,-m_y,0	0.00000	-4.45000	0.00000
8	0.50000	0.80310	0.00000	0,m_y,0	0.00000	4.45000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.69690	0,m_y,0	0.00000	0.00000	0.00000
2	0.00000	0.00000	0.30310	0,m_y,0	0.00000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.50000	0.69690	0,m_y,0	0.00000	0.00000	0.00000
4	0.50000	0.50000	0.30310	0,m_y,0	0.00000	0.00000	0.00000
(0,1/2,1/2)' + set click here to show and hide
5	0.00000	0.50000	0.19690	0,-m_y,0	0.00000	0.00000	0.00000
6	0.00000	0.50000	0.80310	0,-m_y,0	0.00000	0.00000	0.00000
(1/2,0,1/2)' + set click here to show and hide
7	0.50000	0.00000	0.19690	0,-m_y,0	0.00000	0.00000	0.00000
8	0.50000	0.00000	0.80310	0,-m_y,0	0.00000	0.00000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ni1:

Atom	x	y	z
1	0.33322	0.33322	0.33322
2	0.66678	0.33322	0.66678
3	0.33322	0.16678	0.16678
4	0.66678	0.16678	0.83322
5	0.66678	0.66678	0.66678
6	0.33322	0.66678	0.33322
7	0.66678	0.83322	0.83322
8	0.33322	0.83322	0.16678
(1/2,1/2,0) + set click here to show and hide
9	0.83322	0.83322	0.33322
10	0.16678	0.83322	0.66678
11	0.83322	0.66678	0.16678
12	0.16678	0.66678	0.83322
13	0.16678	0.16678	0.66678
14	0.83322	0.16678	0.33322
15	0.16678	0.33322	0.83322
16	0.83322	0.33322	0.16678
(0,1/2,1/2)' + set click here to show and hide
17	0.33322	0.83322	0.83322
18	0.66678	0.83322	0.16678
19	0.33322	0.66678	0.66678
20	0.66678	0.66678	0.33322
21	0.66678	0.16678	0.16678
22	0.33322	0.16678	0.83322
23	0.66678	0.33322	0.33322
24	0.33322	0.33322	0.66678
(1/2,0,1/2)' + set click here to show and hide
25	0.83322	0.33322	0.83322
26	0.16678	0.33322	0.16678
27	0.83322	0.16678	0.66678
28	0.16678	0.16678	0.33322
29	0.16678	0.66678	0.16678
30	0.83322	0.66678	0.83322
31	0.16678	0.83322	0.33322
32	0.83322	0.83322	0.66678

Set of atoms in the unit cell related by symmetry with the atom Ni2:

Atom	x	y	z
1	0.11780	0.11780	0.11780
2	0.88220	0.11780	0.88220
3	0.11780	0.38220	0.38220
4	0.88220	0.38220	0.61780
5	0.88220	0.88220	0.88220
6	0.11780	0.88220	0.11780
7	0.88220	0.61780	0.61780
8	0.11780	0.61780	0.38220
(1/2,1/2,0) + set click here to show and hide
9	0.61780	0.61780	0.11780
10	0.38220	0.61780	0.88220
11	0.61780	0.88220	0.38220
12	0.38220	0.88220	0.61780
13	0.38220	0.38220	0.88220
14	0.61780	0.38220	0.11780
15	0.38220	0.11780	0.61780
16	0.61780	0.11780	0.38220
(0,1/2,1/2)' + set click here to show and hide
17	0.11780	0.61780	0.61780
18	0.88220	0.61780	0.38220
19	0.11780	0.88220	0.88220
20	0.88220	0.88220	0.11780
21	0.88220	0.38220	0.38220
22	0.11780	0.38220	0.61780
23	0.88220	0.11780	0.11780
24	0.11780	0.11780	0.88220
(1/2,0,1/2)' + set click here to show and hide
25	0.61780	0.11780	0.61780
26	0.38220	0.11780	0.38220
27	0.61780	0.38220	0.88220
28	0.38220	0.38220	0.11780
29	0.38220	0.88220	0.38220
30	0.61780	0.88220	0.61780
31	0.38220	0.61780	0.11780
32	0.61780	0.61780	0.88220

Set of atoms in the unit cell related by symmetry with the atom Si1:

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
(0,1/2,1/2)' + set click here to show and hide
3	0.00000	0.50000	0.50000
(1/2,0,1/2)' + set click here to show and hide
4	0.50000	0.00000	0.50000

Set of atoms in the unit cell related by symmetry with the atom Si2_1:

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

Set of atoms in the unit cell related by symmetry with the atom Si2_2:

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

Set of atoms in the unit cell related by symmetry with the atom Si2_3:

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

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_y	\|M\|
Mn1_1	Mn	0.6969(3)	0.00000	0.00000	8	0,m_y,0	-4.45(5)	4.45
Mn1_2	Mn	0.00000	0.6969	0.00000	8	0,m_y,0	4.45	4.45
Mn1_3	Mn	0.00000	0.00000	0.69690	8	0,m_y,0	0.0	0.00

[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:

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.69690	0.00000	0.00000	0,m_y,0	0.00000	-4.45000	0.00000
2	0.30310	0.00000	0.00000	0,m_y,0	0.00000	-4.45000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.19690	0.50000	0.00000	0,m_y,0	0.00000	-4.45000	0.00000
4	0.80310	0.50000	0.00000	0,m_y,0	0.00000	-4.45000	0.00000
(0,1/2,1/2)' + set click here to show and hide
5	0.69690	0.50000	0.50000	0,-m_y,0	0.00000	4.45000	0.00000
6	0.30310	0.50000	0.50000	0,-m_y,0	0.00000	4.45000	0.00000
(1/2,0,1/2)' + set click here to show and hide
7	0.19690	0.00000	0.50000	0,-m_y,0	0.00000	4.45000	0.00000
8	0.80310	0.00000	0.50000	0,-m_y,0	0.00000	4.45000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.69690	0.00000	0,m_y,0	0.00000	4.45000	0.00000
2	0.00000	0.80310	0.50000	0,-m_y,0	0.00000	-4.45000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.19690	0.00000	0,m_y,0	0.00000	4.45000	0.00000
4	0.50000	0.30310	0.50000	0,-m_y,0	0.00000	-4.45000	0.00000
(0,1/2,1/2)' + set click here to show and hide
5	0.00000	0.19690	0.50000	0,-m_y,0	0.00000	-4.45000	0.00000
6	0.00000	0.30310	0.00000	0,m_y,0	0.00000	4.45000	0.00000
(1/2,0,1/2)' + set click here to show and hide
7	0.50000	0.69690	0.50000	0,-m_y,0	0.00000	-4.45000	0.00000
8	0.50000	0.80310	0.00000	0,m_y,0	0.00000	4.45000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.69690	0,m_y,0	0.00000	0.00000	0.00000
2	0.00000	0.00000	0.30310	0,m_y,0	0.00000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.50000	0.69690	0,m_y,0	0.00000	0.00000	0.00000
4	0.50000	0.50000	0.30310	0,m_y,0	0.00000	0.00000	0.00000
(0,1/2,1/2)' + set click here to show and hide
5	0.00000	0.50000	0.19690	0,-m_y,0	0.00000	0.00000	0.00000
6	0.00000	0.50000	0.80310	0,-m_y,0	0.00000	0.00000	0.00000
(1/2,0,1/2)' + set click here to show and hide
7	0.50000	0.00000	0.19690	0,-m_y,0	0.00000	0.00000	0.00000
8	0.50000	0.00000	0.80310	0,-m_y,0	0.00000	0.00000	0.00000

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label	dim. full irrep	dim. small irrep	direction	action	number of modes
mX5+	6	2	special	primary	3

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

Mn₆Ni₁₆Si₇ (#1.454)

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

Mn6Ni16Si7 (#1.454)

Mn₆Ni₁₆Si₇ (#1.454)