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+3/4,-z+1/4,+1	{ 2₁₀₀ \| 1/2 3/4 1/4 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	-x+1/2,y+3/4,z+1/4,+1	{ m₁₀₀ \| 1/2 3/4 1/4 }
(0,1/2,1/2) + set click here to show and hide
5	x,y+1/2,z+1/2,+1	{ 1 \| 0 1/2 1/2 }
6	x+1/2,-y+1/4,-z+3/4,+1	{ 2₁₀₀ \| 1/2 1/4 3/4 }
7	-x,-y+1/2,-z+1/2,+1	{ -1 \| 0 1/2 1/2 }
8	-x+1/2,y+1/4,z+3/4,+1	{ m₁₀₀ \| 1/2 1/4 3/4 }
(0,1/2,0)' + set click here to show and hide
9	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
10	x+1/2,-y+1/4,-z+1/4,-1	{ 2'₁₀₀ \| 1/2 1/4 1/4 }
11	-x,-y+1/2,-z,-1	{ -1' \| 0 1/2 0 }
12	-x+1/2,y+1/4,z+1/4,-1	{ m'₁₀₀ \| 1/2 1/4 1/4 }
(0,0,1/2)' + set click here to show and hide
13	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
14	x+1/2,-y+3/4,-z+3/4,-1	{ 2'₁₀₀ \| 1/2 3/4 3/4 }
15	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }
16	-x+1/2,y+3/4,z+3/4,-1	{ m'₁₀₀ \| 1/2 3/4 3/4 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,-z,+1	2₁₀₀
3	-x,-y,-z,+1	-1
4	-x,y,z,+1	m₁₀₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	x,-y,-z,-1	2'₁₀₀
7	-x,-y,-z,-1	-1'
8	-x,y,z,-1	m'₁₀₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cu1	Cu	0.84050	0.12500	0.10630	16	m_x,m_y,m_z	0.0	0.0	0.55(3)	0.55

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1	Ba	0.09520	0.12500	0.03492	16
Y1	Y	0.42618	0.12500	0.44795	16
Y2	Y	0.21173	0.12500	0.30815	16
O1_1	O	0.56810	0.25350	0.41725	16
O1_2	O	0.93190	0.74650	0.66725	16
O2_1	O	0.77120	0.25150	0.32160	16
O2_2	O	0.72880	0.74850	0.57160	16
O3	O	0.90000	0.12500	0.46100	16

[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 Cu1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.84050	0.12500	0.10630	m_x,m_y,m_z	0.00000	0.00000	0.55000
2	0.34050	0.62500	0.14370	m_x,-m_y,-m_z	0.00000	0.00000	-0.55000
3	0.15950	0.87500	0.89370	m_x,m_y,m_z	0.00000	0.00000	0.55000
4	0.65950	0.87500	0.35630	m_x,-m_y,-m_z	0.00000	0.00000	-0.55000
(0,1/2,1/2) + set click here to show and hide
5	0.84050	0.62500	0.60630	m_x,m_y,m_z	0.00000	0.00000	0.55000
6	0.34050	0.12500	0.64370	m_x,-m_y,-m_z	0.00000	0.00000	-0.55000
7	0.15950	0.37500	0.39370	m_x,m_y,m_z	0.00000	0.00000	0.55000
8	0.65950	0.37500	0.85630	m_x,-m_y,-m_z	0.00000	0.00000	-0.55000
(0,1/2,0)' + set click here to show and hide
9	0.84050	0.62500	0.10630	-m_x,-m_y,-m_z	0.00000	0.00000	-0.55000
10	0.34050	0.12500	0.14370	-m_x,m_y,m_z	0.00000	0.00000	0.55000
11	0.15950	0.37500	0.89370	-m_x,-m_y,-m_z	0.00000	0.00000	-0.55000
12	0.65950	0.37500	0.35630	-m_x,m_y,m_z	0.00000	0.00000	0.55000
(0,0,1/2)' + set click here to show and hide
13	0.84050	0.12500	0.60630	-m_x,-m_y,-m_z	0.00000	0.00000	-0.55000
14	0.34050	0.62500	0.64370	-m_x,m_y,m_z	0.00000	0.00000	0.55000
15	0.15950	0.87500	0.39370	-m_x,-m_y,-m_z	0.00000	0.00000	-0.55000
16	0.65950	0.87500	0.85630	-m_x,m_y,m_z	0.00000	0.00000	0.55000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ba1:

Atom	x	y	z
1	0.09520	0.12500	0.03492
2	0.59520	0.62500	0.21508
3	0.90480	0.87500	0.96508
4	0.40480	0.87500	0.28492
(0,1/2,1/2) + set click here to show and hide
5	0.09520	0.62500	0.53492
6	0.59520	0.12500	0.71508
7	0.90480	0.37500	0.46508
8	0.40480	0.37500	0.78492
(0,1/2,0)' + set click here to show and hide
9	0.09520	0.62500	0.03492
10	0.59520	0.12500	0.21508
11	0.90480	0.37500	0.96508
12	0.40480	0.37500	0.28492
(0,0,1/2)' + set click here to show and hide
13	0.09520	0.12500	0.53492
14	0.59520	0.62500	0.71508
15	0.90480	0.87500	0.46508
16	0.40480	0.87500	0.78492

Set of atoms in the unit cell related by symmetry with the atom Y1:

Atom	x	y	z
1	0.42618	0.12500	0.44795
2	0.92618	0.62500	0.80205
3	0.57382	0.87500	0.55205
4	0.07382	0.87500	0.69795
(0,1/2,1/2) + set click here to show and hide
5	0.42618	0.62500	0.94795
6	0.92618	0.12500	0.30205
7	0.57382	0.37500	0.05205
8	0.07382	0.37500	0.19795
(0,1/2,0)' + set click here to show and hide
9	0.42618	0.62500	0.44795
10	0.92618	0.12500	0.80205
11	0.57382	0.37500	0.55205
12	0.07382	0.37500	0.69795
(0,0,1/2)' + set click here to show and hide
13	0.42618	0.12500	0.94795
14	0.92618	0.62500	0.30205
15	0.57382	0.87500	0.05205
16	0.07382	0.87500	0.19795

Set of atoms in the unit cell related by symmetry with the atom Y2:

Atom	x	y	z
1	0.21173	0.12500	0.30815
2	0.71173	0.62500	0.94185
3	0.78827	0.87500	0.69185
4	0.28827	0.87500	0.55815
(0,1/2,1/2) + set click here to show and hide
5	0.21173	0.62500	0.80815
6	0.71173	0.12500	0.44185
7	0.78827	0.37500	0.19185
8	0.28827	0.37500	0.05815
(0,1/2,0)' + set click here to show and hide
9	0.21173	0.62500	0.30815
10	0.71173	0.12500	0.94185
11	0.78827	0.37500	0.69185
12	0.28827	0.37500	0.55815
(0,0,1/2)' + set click here to show and hide
13	0.21173	0.12500	0.80815
14	0.71173	0.62500	0.44185
15	0.78827	0.87500	0.19185
16	0.28827	0.87500	0.05815

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

Atom	x	y	z
1	0.56810	0.25350	0.41725
2	0.06810	0.49650	0.83275
3	0.43190	0.74650	0.58275
4	0.93190	0.00350	0.66725
(0,1/2,1/2) + set click here to show and hide
5	0.56810	0.75350	0.91725
6	0.06810	0.99650	0.33275
7	0.43190	0.24650	0.08275
8	0.93190	0.50350	0.16725
(0,1/2,0)' + set click here to show and hide
9	0.56810	0.75350	0.41725
10	0.06810	0.99650	0.83275
11	0.43190	0.24650	0.58275
12	0.93190	0.50350	0.66725
(0,0,1/2)' + set click here to show and hide
13	0.56810	0.25350	0.91725
14	0.06810	0.49650	0.33275
15	0.43190	0.74650	0.08275
16	0.93190	0.00350	0.16725

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

Atom	x	y	z
1	0.93190	0.74650	0.66725
2	0.43190	0.00350	0.58275
3	0.06810	0.25350	0.33275
4	0.56810	0.49650	0.91725
(0,1/2,1/2) + set click here to show and hide
5	0.93190	0.24650	0.16725
6	0.43190	0.50350	0.08275
7	0.06810	0.75350	0.83275
8	0.56810	0.99650	0.41725
(0,1/2,0)' + set click here to show and hide
9	0.93190	0.24650	0.66725
10	0.43190	0.50350	0.58275
11	0.06810	0.75350	0.33275
12	0.56810	0.99650	0.91725
(0,0,1/2)' + set click here to show and hide
13	0.93190	0.74650	0.16725
14	0.43190	0.00350	0.08275
15	0.06810	0.25350	0.83275
16	0.56810	0.49650	0.41725

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

Atom	x	y	z
1	0.77120	0.25150	0.32160
2	0.27120	0.49850	0.92840
3	0.22880	0.74850	0.67840
4	0.72880	0.00150	0.57160
(0,1/2,1/2) + set click here to show and hide
5	0.77120	0.75150	0.82160
6	0.27120	0.99850	0.42840
7	0.22880	0.24850	0.17840
8	0.72880	0.50150	0.07160
(0,1/2,0)' + set click here to show and hide
9	0.77120	0.75150	0.32160
10	0.27120	0.99850	0.92840
11	0.22880	0.24850	0.67840
12	0.72880	0.50150	0.57160
(0,0,1/2)' + set click here to show and hide
13	0.77120	0.25150	0.82160
14	0.27120	0.49850	0.42840
15	0.22880	0.74850	0.17840
16	0.72880	0.00150	0.07160

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

Atom	x	y	z
1	0.72880	0.74850	0.57160
2	0.22880	0.00150	0.67840
3	0.27120	0.25150	0.42840
4	0.77120	0.49850	0.82160
(0,1/2,1/2) + set click here to show and hide
5	0.72880	0.24850	0.07160
6	0.22880	0.50150	0.17840
7	0.27120	0.75150	0.92840
8	0.77120	0.99850	0.32160
(0,1/2,0)' + set click here to show and hide
9	0.72880	0.24850	0.57160
10	0.22880	0.50150	0.67840
11	0.27120	0.75150	0.42840
12	0.77120	0.99850	0.82160
(0,0,1/2)' + set click here to show and hide
13	0.72880	0.74850	0.07160
14	0.22880	0.00150	0.17840
15	0.27120	0.25150	0.92840
16	0.77120	0.49850	0.32160

Set of atoms in the unit cell related by symmetry with the atom O3:

Atom	x	y	z
1	0.90000	0.12500	0.46100
2	0.40000	0.62500	0.78900
3	0.10000	0.87500	0.53900
4	0.60000	0.87500	0.71100
(0,1/2,1/2) + set click here to show and hide
5	0.90000	0.62500	0.96100
6	0.40000	0.12500	0.28900
7	0.10000	0.37500	0.03900
8	0.60000	0.37500	0.21100
(0,1/2,0)' + set click here to show and hide
9	0.90000	0.62500	0.46100
10	0.40000	0.12500	0.78900
11	0.10000	0.37500	0.53900
12	0.60000	0.37500	0.71100
(0,0,1/2)' + set click here to show and hide
13	0.90000	0.12500	0.96100
14	0.40000	0.62500	0.28900
15	0.10000	0.87500	0.03900
16	0.60000	0.87500	0.21100

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cu1	Cu	0.84050	0.12500	0.10630	16	m_x,m_y,m_z	0.0	0.0	0.55(3)	0.55

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mT1	2	2	special	primary	3

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

Y₂BaCuO₅ (#1.445)

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

Y2BaCuO5 (#1.445)

Y₂BaCuO₅ (#1.445)