MAGNDATA - Collection of Magnetic Structures

Transformation matrix from the setting of the parent structure (a_p,b_p,c_p) to the working setting (a,b,c):

[Hide]

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

[Hide]

Transformation matrix from the working setting (a,b,c) to the standard setting of the magnetic space group (a_s,b_s,c_s):

[Hide]

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

[Hide]

Magnetic atoms:

Label	Atom type	x	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_z	\|M\|
Mn1	Mn	0.50000	1.	9	m_x,m_y,m_z	-1.41(4)	0.21(7)	1.43
Mn2	Mn	0.00000	0.39	3	0,0,m_z	0.0	1.79(7)	1.79
Co1	Co	0.00000	0.61	3	0,0,m_z	0.0	1.79(7)	1.79

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
N1	N	0.00000	0.00000	0.50000	1.	3

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.00000	m_x,m_y,m_z	-1.41000	0.00000	0.21000
2	0.00000	0.50000	0.00000	-m_y,m_x-m_y,m_z	0.00000	-1.41000	0.21000
3	0.50000	0.50000	0.00000	-m_x+m_y,-m_x,m_z	1.41000	1.41000	0.21000
(2/3,1/3,1/3) + set click here to show and hide
4	0.16667	0.33333	0.33333	m_x,m_y,m_z	-1.41000	0.00000	0.21000
5	0.66667	0.83333	0.33333	-m_y,m_x-m_y,m_z	0.00000	-1.41000	0.21000
6	0.16667	0.83333	0.33333	-m_x+m_y,-m_x,m_z	1.41000	1.41000	0.21000
(1/3,2/3,2/3) + set click here to show and hide
7	0.83333	0.66667	0.66667	m_x,m_y,m_z	-1.41000	0.00000	0.21000
8	0.33333	0.16667	0.66667	-m_y,m_x-m_y,m_z	0.00000	-1.41000	0.21000
9	0.83333	0.16667	0.66667	-m_x+m_y,-m_x,m_z	1.41000	1.41000	0.21000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,0,m_z	0.00000	0.00000	1.79000
(2/3,1/3,1/3) + set click here to show and hide
2	0.66667	0.33333	0.33333	0,0,m_z	0.00000	0.00000	1.79000
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.66667	0,0,m_z	0.00000	0.00000	1.79000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,0,m_z	0.00000	0.00000	1.79000
(2/3,1/3,1/3) + set click here to show and hide
2	0.66667	0.33333	0.33333	0,0,m_z	0.00000	0.00000	1.79000
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.66667	0,0,m_z	0.00000	0.00000	1.79000

Atom	x	y	z
1	0.00000	0.00000	0.50000
(2/3,1/3,1/3) + set click here to show and hide
2	0.66667	0.33333	0.83333
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.16667

Label	Atom type	x	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_z	\|M\|
Mn1	Mn	0.50000	1.	9	m_x,m_y,m_z	-1.41(4)	0.21(7)	1.43
Mn2	Mn	0.00000	0.39	3	0,0,m_z	0.0	1.79(7)	1.79
Co1	Co	0.00000	0.61	3	0,0,m_z	0.0	1.79(7)	1.79

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.00000	m_x,m_y,m_z	-1.41000	0.00000	0.21000
2	0.00000	0.50000	0.00000	-m_y,m_x-m_y,m_z	0.00000	-1.41000	0.21000
3	0.50000	0.50000	0.00000	-m_x+m_y,-m_x,m_z	1.41000	1.41000	0.21000
(2/3,1/3,1/3) + set click here to show and hide
4	0.16667	0.33333	0.33333	m_x,m_y,m_z	-1.41000	0.00000	0.21000
5	0.66667	0.83333	0.33333	-m_y,m_x-m_y,m_z	0.00000	-1.41000	0.21000
6	0.16667	0.83333	0.33333	-m_x+m_y,-m_x,m_z	1.41000	1.41000	0.21000
(1/3,2/3,2/3) + set click here to show and hide
7	0.83333	0.66667	0.66667	m_x,m_y,m_z	-1.41000	0.00000	0.21000
8	0.33333	0.16667	0.66667	-m_y,m_x-m_y,m_z	0.00000	-1.41000	0.21000
9	0.83333	0.16667	0.66667	-m_x+m_y,-m_x,m_z	1.41000	1.41000	0.21000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,0,m_z	0.00000	0.00000	1.79000
(2/3,1/3,1/3) + set click here to show and hide
2	0.66667	0.33333	0.33333	0,0,m_z	0.00000	0.00000	1.79000
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.66667	0,0,m_z	0.00000	0.00000	1.79000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,0,m_z	0.00000	0.00000	1.79000
(2/3,1/3,1/3) + set click here to show and hide
2	0.66667	0.33333	0.33333	0,0,m_z	0.00000	0.00000	1.79000
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.66667	0,0,m_z	0.00000	0.00000	1.79000

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