MAGNDATA - Collection of Magnetic Structures

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

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

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Nd1_1	Nd	0.00970	0.46915	0.24900	8	m_x,m_y,m_z	0.27(3)	0.78(1)	0.24(4)	0.86
Nd1_2	Nd	0.24030	0.71915	0.25100	8	m_x,m_y,m_z	0.27(3)	-0.78(1)	0.24(4)	0.86
Ir1_1	Ir	0.00000	0.25000	0.00000	4	m_x,m_y,m_z	-0.37(5)	-0.36(3)	0.08(4)	0.52
Ir1_2	Ir	0.25000	0.00000	0.50000	4	m_x,m_y,m_z	-0.37(5)	-0.36(3)	-0.08(4)	0.52

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Zn1_1	Zn	0.25000	0.00000	0.00000	4
Zn1_2	Zn	0.00000	0.25000	0.50000	4
O1_1	O	0.09350	0.09950	0.06200	8
O1_2	O	0.15650	0.34950	0.43800	8
O2_1	O	0.09750	0.09900	0.46000	8
O2_2	O	0.15250	0.34900	0.04000	8
O3_1	O	0.30050	0.01580	0.26300	8
O3_2	O	0.94950	0.26580	0.23700	8

[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 Nd1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00970	0.46915	0.24900	m_x,m_y,m_z	0.27000	0.78000	0.24000
2	0.49030	0.53085	0.75100	m_x,m_y,m_z	0.27000	0.78000	0.24000
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3	0.50970	0.96915	0.24900	m_x,m_y,m_z	0.27000	0.78000	0.24000
4	0.99030	0.03085	0.75100	m_x,m_y,m_z	0.27000	0.78000	0.24000
(0,1/2,0)' + set click here to show and hide
5	0.00970	0.96915	0.24900	-m_x,-m_y,-m_z	-0.27000	-0.78000	-0.24000
6	0.49030	0.03085	0.75100	-m_x,-m_y,-m_z	-0.27000	-0.78000	-0.24000
(1/2,0,0)' + set click here to show and hide
7	0.50970	0.46915	0.24900	-m_x,-m_y,-m_z	-0.27000	-0.78000	-0.24000
8	0.99030	0.53085	0.75100	-m_x,-m_y,-m_z	-0.27000	-0.78000	-0.24000

Set of atoms in the unit cell related by symmetry with the magnetic atom Nd1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.24030	0.71915	0.25100	m_x,m_y,m_z	0.27000	-0.78000	0.24000
2	0.25970	0.28085	0.74900	m_x,m_y,m_z	0.27000	-0.78000	0.24000
(1/2,1/2,0) + set click here to show and hide
3	0.74030	0.21915	0.25100	m_x,m_y,m_z	0.27000	-0.78000	0.24000
4	0.75970	0.78085	0.74900	m_x,m_y,m_z	0.27000	-0.78000	0.24000
(0,1/2,0)' + set click here to show and hide
5	0.24030	0.21915	0.25100	-m_x,-m_y,-m_z	-0.27000	0.78000	-0.24000
6	0.25970	0.78085	0.74900	-m_x,-m_y,-m_z	-0.27000	0.78000	-0.24000
(1/2,0,0)' + set click here to show and hide
7	0.74030	0.71915	0.25100	-m_x,-m_y,-m_z	-0.27000	0.78000	-0.24000
8	0.75970	0.28085	0.74900	-m_x,-m_y,-m_z	-0.27000	0.78000	-0.24000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ir1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.25000	0.00000	m_x,m_y,m_z	-0.37000	-0.36000	0.08000
(1/2,1/2,0) + set click here to show and hide
2	0.50000	0.75000	0.00000	m_x,m_y,m_z	-0.37000	-0.36000	0.08000
(0,1/2,0)' + set click here to show and hide
3	0.00000	0.75000	0.00000	-m_x,-m_y,-m_z	0.37000	0.36000	-0.08000
(1/2,0,0)' + set click here to show and hide
4	0.50000	0.25000	0.00000	-m_x,-m_y,-m_z	0.37000	0.36000	-0.08000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ir1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.00000	0.50000	m_x,m_y,m_z	-0.37000	-0.36000	-0.08000
(1/2,1/2,0) + set click here to show and hide
2	0.75000	0.50000	0.50000	m_x,m_y,m_z	-0.37000	-0.36000	-0.08000
(0,1/2,0)' + set click here to show and hide
3	0.25000	0.50000	0.50000	-m_x,-m_y,-m_z	0.37000	0.36000	0.08000
(1/2,0,0)' + set click here to show and hide
4	0.75000	0.00000	0.50000	-m_x,-m_y,-m_z	0.37000	0.36000	0.08000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Zn1_1:

Atom	x	y	z
1	0.25000	0.00000	0.00000
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2	0.75000	0.50000	0.00000
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3	0.25000	0.50000	0.00000
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4	0.75000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the atom Zn1_2:

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

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

Atom	x	y	z
1	0.09350	0.09950	0.06200
2	0.40650	0.90050	0.93800
(1/2,1/2,0) + set click here to show and hide
3	0.59350	0.59950	0.06200
4	0.90650	0.40050	0.93800
(0,1/2,0)' + set click here to show and hide
5	0.09350	0.59950	0.06200
6	0.40650	0.40050	0.93800
(1/2,0,0)' + set click here to show and hide
7	0.59350	0.09950	0.06200
8	0.90650	0.90050	0.93800

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

Atom	x	y	z
1	0.15650	0.34950	0.43800
2	0.34350	0.65050	0.56200
(1/2,1/2,0) + set click here to show and hide
3	0.65650	0.84950	0.43800
4	0.84350	0.15050	0.56200
(0,1/2,0)' + set click here to show and hide
5	0.15650	0.84950	0.43800
6	0.34350	0.15050	0.56200
(1/2,0,0)' + set click here to show and hide
7	0.65650	0.34950	0.43800
8	0.84350	0.65050	0.56200

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

Atom	x	y	z
1	0.09750	0.09900	0.46000
2	0.40250	0.90100	0.54000
(1/2,1/2,0) + set click here to show and hide
3	0.59750	0.59900	0.46000
4	0.90250	0.40100	0.54000
(0,1/2,0)' + set click here to show and hide
5	0.09750	0.59900	0.46000
6	0.40250	0.40100	0.54000
(1/2,0,0)' + set click here to show and hide
7	0.59750	0.09900	0.46000
8	0.90250	0.90100	0.54000

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

Atom	x	y	z
1	0.15250	0.34900	0.04000
2	0.34750	0.65100	0.96000
(1/2,1/2,0) + set click here to show and hide
3	0.65250	0.84900	0.04000
4	0.84750	0.15100	0.96000
(0,1/2,0)' + set click here to show and hide
5	0.15250	0.84900	0.04000
6	0.34750	0.15100	0.96000
(1/2,0,0)' + set click here to show and hide
7	0.65250	0.34900	0.04000
8	0.84750	0.65100	0.96000

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

Atom	x	y	z
1	0.30050	0.01580	0.26300
2	0.19950	0.98420	0.73700
(1/2,1/2,0) + set click here to show and hide
3	0.80050	0.51580	0.26300
4	0.69950	0.48420	0.73700
(0,1/2,0)' + set click here to show and hide
5	0.30050	0.51580	0.26300
6	0.19950	0.48420	0.73700
(1/2,0,0)' + set click here to show and hide
7	0.80050	0.01580	0.26300
8	0.69950	0.98420	0.73700

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

Atom	x	y	z
1	0.94950	0.26580	0.23700
2	0.55050	0.73420	0.76300
(1/2,1/2,0) + set click here to show and hide
3	0.44950	0.76580	0.23700
4	0.05050	0.23420	0.76300
(0,1/2,0)' + set click here to show and hide
5	0.94950	0.76580	0.23700
6	0.55050	0.23420	0.76300
(1/2,0,0)' + set click here to show and hide
7	0.44950	0.26580	0.23700
8	0.05050	0.73420	0.76300

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Nd1_1	Nd	0.00970	0.46915	0.24900	8	m_x,m_y,m_z	0.27(3)	0.78(1)	0.24(4)	0.86
Nd1_2	Nd	0.24030	0.71915	0.25100	8	m_x,m_y,m_z	0.27(3)	-0.78(1)	0.24(4)	0.86
Ir1_1	Ir	0.00000	0.25000	0.00000	4	m_x,m_y,m_z	-0.37(5)	-0.36(3)	0.08(4)	0.52
Ir1_2	Ir	0.25000	0.00000	0.50000	4	m_x,m_y,m_z	-0.37(5)	-0.36(3)	-0.08(4)	0.52

[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: