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+3/4,y+1/2,-z+1/4,+1	{ 2₀₁₀ \| 3/4 1/2 1/4 }
(1/2,0,1/2) + set click here to show and hide
3	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
4	-x+1/4,y+1/2,-z+3/4,+1	{ 2₀₁₀ \| 1/4 1/2 3/4 }
(0,0,1/2)' + set click here to show and hide
5	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
6	-x+3/4,y+1/2,-z+3/4,-1	{ 2'₀₁₀ \| 3/4 1/2 3/4 }
(1/2,0,0)' + set click here to show and hide
7	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
8	-x+1/4,y+1/2,-z+1/4,-1	{ 2'₀₁₀ \| 1/4 1/2 1/4 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
1' + set click here to show and hide
3	x,y,z,-1	1'
4	-x,y,-z,-1	2'₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1	Ni	0.25000	0.00000	0.00000	8	m_x,m_y,m_z	1.00(8)	0.0	1.03(8)	1.43
Ni2	Ni	0.25000	0.00000	0.25000	8	m_x,m_y,m_z	0.48(4)	0.0	-0.49(4)	0.69

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Lu1_1	Lu	0.48985	0.07910	0.12565	8
Lu1_2	Lu	0.51015	0.92090	0.87435	8
O1_1	O	0.05555	0.46180	0.12165	8
O1_2	O	0.94445	0.53820	0.87835	8
O2_1	O	0.34715	0.30940	0.02600	8
O2_2	O	0.65285	0.69060	0.97400	8
O3_1	O	0.09060	0.20050	0.47105	8
O3_2	O	0.90940	0.79950	0.52895	8

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 Ni1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.00000	0.00000	m_x,m_y,m_z	1.00000	0.00000	1.03000
2	0.50000	0.50000	0.25000	-m_x,m_y,-m_z	-1.00000	0.00000	-1.03000
(1/2,0,1/2) + set click here to show and hide
3	0.75000	0.00000	0.50000	m_x,m_y,m_z	1.00000	0.00000	1.03000
4	0.00000	0.50000	0.75000	-m_x,m_y,-m_z	-1.00000	0.00000	-1.03000
(0,0,1/2)' + set click here to show and hide
5	0.25000	0.00000	0.50000	-m_x,-m_y,-m_z	-1.00000	0.00000	-1.03000
6	0.50000	0.50000	0.75000	m_x,-m_y,m_z	1.00000	0.00000	1.03000
(1/2,0,0)' + set click here to show and hide
7	0.75000	0.00000	0.00000	-m_x,-m_y,-m_z	-1.00000	0.00000	-1.03000
8	0.00000	0.50000	0.25000	m_x,-m_y,m_z	1.00000	0.00000	1.03000

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

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.00000	0.25000	m_x,m_y,m_z	0.48000	0.00000	-0.49000
2	0.50000	0.50000	0.00000	-m_x,m_y,-m_z	-0.48000	0.00000	0.49000
(1/2,0,1/2) + set click here to show and hide
3	0.75000	0.00000	0.75000	m_x,m_y,m_z	0.48000	0.00000	-0.49000
4	0.00000	0.50000	0.50000	-m_x,m_y,-m_z	-0.48000	0.00000	0.49000
(0,0,1/2)' + set click here to show and hide
5	0.25000	0.00000	0.75000	-m_x,-m_y,-m_z	-0.48000	0.00000	0.49000
6	0.50000	0.50000	0.50000	m_x,-m_y,m_z	0.48000	0.00000	-0.49000
(1/2,0,0)' + set click here to show and hide
7	0.75000	0.00000	0.25000	-m_x,-m_y,-m_z	-0.48000	0.00000	0.49000
8	0.00000	0.50000	0.00000	m_x,-m_y,m_z	0.48000	0.00000	-0.49000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Lu1_1:

Atom	x	y	z
1	0.48985	0.07910	0.12565
2	0.26015	0.57910	0.12435
(1/2,0,1/2) + set click here to show and hide
3	0.98985	0.07910	0.62565
4	0.76015	0.57910	0.62435
(0,0,1/2)' + set click here to show and hide
5	0.48985	0.07910	0.62565
6	0.26015	0.57910	0.62435
(1/2,0,0)' + set click here to show and hide
7	0.98985	0.07910	0.12565
8	0.76015	0.57910	0.12435

Set of atoms in the unit cell related by symmetry with the atom Lu1_2:

Atom	x	y	z
1	0.51015	0.92090	0.87435
2	0.23985	0.42090	0.37565
(1/2,0,1/2) + set click here to show and hide
3	0.01015	0.92090	0.37435
4	0.73985	0.42090	0.87565
(0,0,1/2)' + set click here to show and hide
5	0.51015	0.92090	0.37435
6	0.23985	0.42090	0.87565
(1/2,0,0)' + set click here to show and hide
7	0.01015	0.92090	0.87435
8	0.73985	0.42090	0.37565

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

Atom	x	y	z
1	0.05555	0.46180	0.12165
2	0.69445	0.96180	0.12835
(1/2,0,1/2) + set click here to show and hide
3	0.55555	0.46180	0.62165
4	0.19445	0.96180	0.62835
(0,0,1/2)' + set click here to show and hide
5	0.05555	0.46180	0.62165
6	0.69445	0.96180	0.62835
(1/2,0,0)' + set click here to show and hide
7	0.55555	0.46180	0.12165
8	0.19445	0.96180	0.12835

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

Atom	x	y	z
1	0.94445	0.53820	0.87835
2	0.80555	0.03820	0.37165
(1/2,0,1/2) + set click here to show and hide
3	0.44445	0.53820	0.37835
4	0.30555	0.03820	0.87165
(0,0,1/2)' + set click here to show and hide
5	0.94445	0.53820	0.37835
6	0.80555	0.03820	0.87165
(1/2,0,0)' + set click here to show and hide
7	0.44445	0.53820	0.87835
8	0.30555	0.03820	0.37165

Set of atoms in the unit cell related by symmetry with the atom O2_1:

Atom	x	y	z
1	0.34715	0.30940	0.02600
2	0.40285	0.80940	0.22400
(1/2,0,1/2) + set click here to show and hide
3	0.84715	0.30940	0.52600
4	0.90285	0.80940	0.72400
(0,0,1/2)' + set click here to show and hide
5	0.34715	0.30940	0.52600
6	0.40285	0.80940	0.72400
(1/2,0,0)' + set click here to show and hide
7	0.84715	0.30940	0.02600
8	0.90285	0.80940	0.22400

Set of atoms in the unit cell related by symmetry with the atom O2_2:

Atom	x	y	z
1	0.65285	0.69060	0.97400
2	0.09715	0.19060	0.27600
(1/2,0,1/2) + set click here to show and hide
3	0.15285	0.69060	0.47400
4	0.59715	0.19060	0.77600
(0,0,1/2)' + set click here to show and hide
5	0.65285	0.69060	0.47400
6	0.09715	0.19060	0.77600
(1/2,0,0)' + set click here to show and hide
7	0.15285	0.69060	0.97400
8	0.59715	0.19060	0.27600

Set of atoms in the unit cell related by symmetry with the atom O3_1:

Atom	x	y	z
1	0.09060	0.20050	0.47105
2	0.65940	0.70050	0.77895
(1/2,0,1/2) + set click here to show and hide
3	0.59060	0.20050	0.97105
4	0.15940	0.70050	0.27895
(0,0,1/2)' + set click here to show and hide
5	0.09060	0.20050	0.97105
6	0.65940	0.70050	0.27895
(1/2,0,0)' + set click here to show and hide
7	0.59060	0.20050	0.47105
8	0.15940	0.70050	0.77895

Set of atoms in the unit cell related by symmetry with the atom O3_2:

Atom	x	y	z
1	0.90940	0.79950	0.52895
2	0.84060	0.29950	0.72105
(1/2,0,1/2) + set click here to show and hide
3	0.40940	0.79950	0.02895
4	0.34060	0.29950	0.22105
(0,0,1/2)' + set click here to show and hide
5	0.90940	0.79950	0.02895
6	0.84060	0.29950	0.22105
(1/2,0,0)' + set click here to show and hide
7	0.40940	0.79950	0.52895
8	0.34060	0.29950	0.72105

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1	Ni	0.25000	0.00000	0.00000	8	m_x,m_y,m_z	1.00(8)	0.0	1.03(8)	1.43
Ni2	Ni	0.25000	0.00000	0.25000	8	m_x,m_y,m_z	0.48(4)	0.0	-0.49(4)	0.69

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