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+1/2,+1	{ 2₀₀₁ \| 0 0 1/2 }
3	x-y,-y,-z+2/3,-1	{ 2'₁₀₀ \| 0 0 2/3 }
4	-x+y,y,-z+1/6,-1	{ 2'₁₂₀ \| 0 0 1/6 }

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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,-y,-z,-1	2'₁₀₀
4	-x+y,y,-z,-1	2'₁₂₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
V1_1	V	0.33333	0.66667	0.08333	2	m_x,0,m_z	0.90(5)	0.0	1.21(12)	1.51
V1_2	V	0.66667	0.33333	0.25000	4	m_x,m_y,m_z	-0.9	0.0	-0.61(6)	1.09

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Nb1_1	Nb	0.00000	0.00000	0.00000	4
Nb1_2	Nb	0.00000	0.00000	0.33333	2
Nb2_1	Nb	0.33333	0.66667	0.33200	4
Nb2_2	Nb	0.66667	0.33333	0.49867	4
Nb2_3	Nb	0.33333	0.66667	0.66533	4
S1_1	S	0.66330	0.00110	0.04327	4
S1_2	S	0.99890	0.66220	0.04327	4
S1_3	S	0.33780	0.33670	0.04327	4
S1_4	S	0.33670	0.99890	0.20993	4
S1_5	S	0.00110	0.33780	0.20993	4
S1_6	S	0.66220	0.66330	0.20993	4
S1_7	S	0.66330	0.00110	0.37660	4
S1_8	S	0.99890	0.66220	0.37660	4
S1_9	S	0.33780	0.33670	0.37660	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 V1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.33333	0.66667	0.08333	m_x,0,m_z	0.90000	0.00000	1.21000
2	0.66667	0.33333	0.58333	-m_x,0,m_z	-0.90000	0.00000	1.21000

Set of atoms in the unit cell related by symmetry with the magnetic atom V1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.66667	0.33333	0.25000	m_x,m_y,m_z	-0.90000	-0.61000
2	0.33333	0.66667	0.75000	-m_x,-m_y,m_z	0.90000	-0.61000
3	0.33334	0.66667	0.41667	-m_x+m_y,m_y,m_z	0.90000	-0.61000
4	0.66666	0.33333	0.91667	m_x-m_y,-m_y,m_z	-0.90000	-0.61000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Nb1_1:

Atom	x	y	z
1	0.00000	0.00000	0.00000
2	0.00000	0.00000	0.50000
3	0.00000	0.00000	0.66667
4	0.00000	0.00000	0.16667

Set of atoms in the unit cell related by symmetry with the atom Nb1_2:

Atom	x	y	z
1	0.00000	0.00000	0.33333
2	0.00000	0.00000	0.83333

Set of atoms in the unit cell related by symmetry with the atom Nb2_1:

Atom	x	y	z
1	0.33333	0.66667	0.33200
2	0.66667	0.33333	0.83200
3	0.66666	0.33333	0.33467
4	0.33334	0.66667	0.83467

Set of atoms in the unit cell related by symmetry with the atom Nb2_2:

Atom	x	y	z
1	0.66667	0.33333	0.49867
2	0.33333	0.66667	0.99867
3	0.33334	0.66667	0.16800
4	0.66666	0.33333	0.66800

Set of atoms in the unit cell related by symmetry with the atom Nb2_3:

Atom	x	y	z
1	0.33333	0.66667	0.66533
2	0.66667	0.33333	0.16533
3	0.66666	0.33333	0.00134
4	0.33334	0.66667	0.50134

Set of atoms in the unit cell related by symmetry with the atom S1_1:

Atom	x	y	z
1	0.66330	0.00110	0.04327
2	0.33670	0.99890	0.54327
3	0.66220	0.99890	0.62340
4	0.33780	0.00110	0.12340

Set of atoms in the unit cell related by symmetry with the atom S1_2:

Atom	x	y	z
1	0.99890	0.66220	0.04327
2	0.00110	0.33780	0.54327
3	0.33670	0.33780	0.62340
4	0.66330	0.66220	0.12340

Set of atoms in the unit cell related by symmetry with the atom S1_3:

Atom	x	y	z
1	0.33780	0.33670	0.04327
2	0.66220	0.66330	0.54327
3	0.00110	0.66330	0.62340
4	0.99890	0.33670	0.12340

Set of atoms in the unit cell related by symmetry with the atom S1_4:

Atom	x	y	z
1	0.33670	0.99890	0.20993
2	0.66330	0.00110	0.70993
3	0.33780	0.00110	0.45674
4	0.66220	0.99890	0.95674

Set of atoms in the unit cell related by symmetry with the atom S1_5:

Atom	x	y	z
1	0.00110	0.33780	0.20993
2	0.99890	0.66220	0.70993
3	0.66330	0.66220	0.45674
4	0.33670	0.33780	0.95674

Set of atoms in the unit cell related by symmetry with the atom S1_6:

Atom	x	y	z
1	0.66220	0.66330	0.20993
2	0.33780	0.33670	0.70993
3	0.99890	0.33670	0.45674
4	0.00110	0.66330	0.95674

Set of atoms in the unit cell related by symmetry with the atom S1_7:

Atom	x	y	z
1	0.66330	0.00110	0.37660
2	0.33670	0.99890	0.87660
3	0.66220	0.99890	0.29007
4	0.33780	0.00110	0.79007

Set of atoms in the unit cell related by symmetry with the atom S1_8:

Atom	x	y	z
1	0.99890	0.66220	0.37660
2	0.00110	0.33780	0.87660
3	0.33670	0.33780	0.29007
4	0.66330	0.66220	0.79007

Set of atoms in the unit cell related by symmetry with the atom S1_9:

Atom	x	y	z
1	0.33780	0.33670	0.37660
2	0.66220	0.66330	0.87660
3	0.00110	0.66330	0.29007
4	0.99890	0.33670	0.79007

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
V1_1	V	0.33333	0.66667	0.08333	2	m_x,0,m_z	0.90(5)	0.0	1.21(12)	1.51
V1_2	V	0.66667	0.33333	0.25000	4	m_x,m_y,m_z	-0.9	0.0	-0.61(6)	1.09

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes	presence
mGM5	2	2	special	primary	1
mDT2	2	1	special	primary	1
mGM2	1	1		secondary	1	no
mDT4	2	1	special	secondary	1	no
mDT6	2	1	special	secondary	1	no

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

VNb₃S₆ (#2.72)

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

VNb3S6 (#2.72)

VNb₃S₆ (#2.72)