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+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x+1/2,y,-z+1/2,+1	{ m₀₀₁ \| 1/2 0 1/2 }
(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,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 0 1/2 1/2 }
7	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
8	x,y+1/2,-z+1/2,+1	{ m₀₀₁ \| 0 1/2 1/2 }
(1/2,0,1/2)' + set click here to show and hide
9	x+1/2,y,z+1/2,-1	{ 1' \| 1/2 0 1/2 }
10	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
11	-x+1/2,-y,-z+1/2,-1	{ -1' \| 1/2 0 1/2 }
12	x,y,-z,-1	{ m'₀₀₁ \| 0 }
(0,1/2,1/2)' + set click here to show and hide
13	x,y+1/2,z+1/2,-1	{ 1' \| 0 1/2 1/2 }
14	-x+1/2,-y+1/2,z,-1	{ 2'₀₀₁ \| 1/2 1/2 0 }
15	-x,-y+1/2,-z+1/2,-1	{ -1' \| 0 1/2 1/2 }
16	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	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

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	\|M\|
Mn1_1	Mn	0.6969(3)	0.00000	0.00000	8	m_x,m_y,0	-0.74	-4.68	4.74
Mn1_2	Mn	0.00000	0.69690	0.00000	8	m_x,m_y,0	-0.74	4.68	4.74
Mn1_3	Mn	0.00000	0.00000	0.69690	8	m_x,m_y,0	0.0	0.65	0.65

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ni1_1	Ni	0.33322(11)	0.33322	0.33322	16
Ni1_2	Ni	0.66678	0.33322	0.66678	16
Ni2_1	Ni	0.11780(12)	0.11780	0.11780	16
Ni2_2	Ni	0.88220	0.11780	0.88220	16
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	4
Si2_4	Si	0.75000	0.25000	0.00000	4

[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	m_x,m_y,0	-0.74000	-4.68000	0.00000
2	0.80310	0.00000	0.50000	-m_x,-m_y,0	0.74000	4.68000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.19690	0.50000	0.00000	m_x,m_y,0	-0.74000	-4.68000	0.00000
4	0.30310	0.50000	0.50000	-m_x,-m_y,0	0.74000	4.68000	0.00000
(1/2,0,1/2)' + set click here to show and hide
5	0.19690	0.00000	0.50000	-m_x,-m_y,0	0.74000	4.68000	0.00000
6	0.30310	0.00000	0.00000	m_x,m_y,0	-0.74000	-4.68000	0.00000
(0,1/2,1/2)' + set click here to show and hide
7	0.69690	0.50000	0.50000	-m_x,-m_y,0	0.74000	4.68000	0.00000
8	0.80310	0.50000	0.00000	m_x,m_y,0	-0.74000	-4.68000	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	m_x,m_y,0	-0.74000	4.68000	0.00000
2	0.50000	0.30310	0.50000	-m_x,-m_y,0	0.74000	-4.68000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.19690	0.00000	m_x,m_y,0	-0.74000	4.68000	0.00000
4	0.00000	0.80310	0.50000	-m_x,-m_y,0	0.74000	-4.68000	0.00000
(1/2,0,1/2)' + set click here to show and hide
5	0.50000	0.69690	0.50000	-m_x,-m_y,0	0.74000	-4.68000	0.00000
6	0.00000	0.30310	0.00000	m_x,m_y,0	-0.74000	4.68000	0.00000
(0,1/2,1/2)' + set click here to show and hide
7	0.00000	0.19690	0.50000	-m_x,-m_y,0	0.74000	-4.68000	0.00000
8	0.50000	0.80310	0.00000	m_x,m_y,0	-0.74000	4.68000	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	m_x,m_y,0	0.00000	0.65000	0.00000
2	0.00000	0.00000	0.30310	m_x,m_y,0	0.00000	0.65000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.50000	0.69690	m_x,m_y,0	0.00000	0.65000	0.00000
4	0.50000	0.50000	0.30310	m_x,m_y,0	0.00000	0.65000	0.00000
(1/2,0,1/2)' + set click here to show and hide
5	0.50000	0.00000	0.19690	-m_x,-m_y,0	0.00000	-0.65000	0.00000
6	0.50000	0.00000	0.80310	-m_x,-m_y,0	0.00000	-0.65000	0.00000
(0,1/2,1/2)' + set click here to show and hide
7	0.00000	0.50000	0.19690	-m_x,-m_y,0	0.00000	-0.65000	0.00000
8	0.00000	0.50000	0.80310	-m_x,-m_y,0	0.00000	-0.65000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ni1_1:

Atom	x	y	z
1	0.33322	0.33322	0.33322
2	0.16678	0.66678	0.83322
3	0.66678	0.66678	0.66678
4	0.83322	0.33322	0.16678
(1/2,1/2,0) + set click here to show and hide
5	0.83322	0.83322	0.33322
6	0.66678	0.16678	0.83322
7	0.16678	0.16678	0.66678
8	0.33322	0.83322	0.16678
(1/2,0,1/2)' + set click here to show and hide
9	0.83322	0.33322	0.83322
10	0.66678	0.66678	0.33322
11	0.16678	0.66678	0.16678
12	0.33322	0.33322	0.66678
(0,1/2,1/2)' + set click here to show and hide
13	0.33322	0.83322	0.83322
14	0.16678	0.16678	0.33322
15	0.66678	0.16678	0.16678
16	0.83322	0.83322	0.66678

Set of atoms in the unit cell related by symmetry with the atom Ni1_2:

Atom	x	y	z
1	0.66678	0.33322	0.66678
2	0.83322	0.66678	0.16678
3	0.33322	0.66678	0.33322
4	0.16678	0.33322	0.83322
(1/2,1/2,0) + set click here to show and hide
5	0.16678	0.83322	0.66678
6	0.33322	0.16678	0.16678
7	0.83322	0.16678	0.33322
8	0.66678	0.83322	0.83322
(1/2,0,1/2)' + set click here to show and hide
9	0.16678	0.33322	0.16678
10	0.33322	0.66678	0.66678
11	0.83322	0.66678	0.83322
12	0.66678	0.33322	0.33322
(0,1/2,1/2)' + set click here to show and hide
13	0.66678	0.83322	0.16678
14	0.83322	0.16678	0.66678
15	0.33322	0.16678	0.83322
16	0.16678	0.83322	0.33322

Set of atoms in the unit cell related by symmetry with the atom Ni2_1:

Atom	x	y	z
1	0.11780	0.11780	0.11780
2	0.38220	0.88220	0.61780
3	0.88220	0.88220	0.88220
4	0.61780	0.11780	0.38220
(1/2,1/2,0) + set click here to show and hide
5	0.61780	0.61780	0.11780
6	0.88220	0.38220	0.61780
7	0.38220	0.38220	0.88220
8	0.11780	0.61780	0.38220
(1/2,0,1/2)' + set click here to show and hide
9	0.61780	0.11780	0.61780
10	0.88220	0.88220	0.11780
11	0.38220	0.88220	0.38220
12	0.11780	0.11780	0.88220
(0,1/2,1/2)' + set click here to show and hide
13	0.11780	0.61780	0.61780
14	0.38220	0.38220	0.11780
15	0.88220	0.38220	0.38220
16	0.61780	0.61780	0.88220

Set of atoms in the unit cell related by symmetry with the atom Ni2_2:

Atom	x	y	z
1	0.88220	0.11780	0.88220
2	0.61780	0.88220	0.38220
3	0.11780	0.88220	0.11780
4	0.38220	0.11780	0.61780
(1/2,1/2,0) + set click here to show and hide
5	0.38220	0.61780	0.88220
6	0.11780	0.38220	0.38220
7	0.61780	0.38220	0.11780
8	0.88220	0.61780	0.61780
(1/2,0,1/2)' + set click here to show and hide
9	0.38220	0.11780	0.38220
10	0.11780	0.88220	0.88220
11	0.61780	0.88220	0.61780
12	0.88220	0.11780	0.11780
(0,1/2,1/2)' + set click here to show and hide
13	0.88220	0.61780	0.38220
14	0.61780	0.38220	0.88220
15	0.11780	0.38220	0.61780
16	0.38220	0.61780	0.11780

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

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

Set of atoms in the unit cell related by symmetry with the atom Si2_4:

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

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	\|M\|
Mn1_1	Mn	0.6969(3)	0.00000	0.00000	8	m_x,m_y,0	-0.74	-4.68	4.74
Mn1_2	Mn	0.00000	0.69690	0.00000	8	m_x,m_y,0	-0.74	4.68	4.74
Mn1_3	Mn	0.00000	0.00000	0.69690	8	m_x,m_y,0	0.0	0.65	0.65

[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	m_x,m_y,0	-0.74000	-4.68000	0.00000
2	0.80310	0.00000	0.50000	-m_x,-m_y,0	0.74000	4.68000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.19690	0.50000	0.00000	m_x,m_y,0	-0.74000	-4.68000	0.00000
4	0.30310	0.50000	0.50000	-m_x,-m_y,0	0.74000	4.68000	0.00000
(1/2,0,1/2)' + set click here to show and hide
5	0.19690	0.00000	0.50000	-m_x,-m_y,0	0.74000	4.68000	0.00000
6	0.30310	0.00000	0.00000	m_x,m_y,0	-0.74000	-4.68000	0.00000
(0,1/2,1/2)' + set click here to show and hide
7	0.69690	0.50000	0.50000	-m_x,-m_y,0	0.74000	4.68000	0.00000
8	0.80310	0.50000	0.00000	m_x,m_y,0	-0.74000	-4.68000	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	m_x,m_y,0	-0.74000	4.68000	0.00000
2	0.50000	0.30310	0.50000	-m_x,-m_y,0	0.74000	-4.68000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.19690	0.00000	m_x,m_y,0	-0.74000	4.68000	0.00000
4	0.00000	0.80310	0.50000	-m_x,-m_y,0	0.74000	-4.68000	0.00000
(1/2,0,1/2)' + set click here to show and hide
5	0.50000	0.69690	0.50000	-m_x,-m_y,0	0.74000	-4.68000	0.00000
6	0.00000	0.30310	0.00000	m_x,m_y,0	-0.74000	4.68000	0.00000
(0,1/2,1/2)' + set click here to show and hide
7	0.00000	0.19690	0.50000	-m_x,-m_y,0	0.74000	-4.68000	0.00000
8	0.50000	0.80310	0.00000	m_x,m_y,0	-0.74000	4.68000	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	m_x,m_y,0	0.00000	0.65000	0.00000
2	0.00000	0.00000	0.30310	m_x,m_y,0	0.00000	0.65000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.50000	0.69690	m_x,m_y,0	0.00000	0.65000	0.00000
4	0.50000	0.50000	0.30310	m_x,m_y,0	0.00000	0.65000	0.00000
(1/2,0,1/2)' + set click here to show and hide
5	0.50000	0.00000	0.19690	-m_x,-m_y,0	0.00000	-0.65000	0.00000
6	0.50000	0.00000	0.80310	-m_x,-m_y,0	0.00000	-0.65000	0.00000
(0,1/2,1/2)' + set click here to show and hide
7	0.00000	0.50000	0.19690	-m_x,-m_y,0	0.00000	-0.65000	0.00000
8	0.00000	0.50000	0.80310	-m_x,-m_y,0	0.00000	-0.65000	0.00000

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

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

Mn₆Ni₁₆Si₇ (#1.455)

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

Mn6Ni16Si7 (#1.455)

Mn₆Ni₁₆Si₇ (#1.455)