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	{ 2₀₁₀ \| 0 0 1/2 }
3	-x,-y,-z+1/2,+1	{ -1 \| 0 0 1/2 }
4	x,-y,z,+1	{ m₀₁₀ \| 0 }
5	x,-y,-z+1/2,-1	{ 2'₁₀₀ \| 0 0 1/2 }
6	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
7	-x,y,z,-1	{ m'₁₀₀ \| 0 }
8	x,y,-z+1/2,-1	{ m'₀₀₁ \| 0 0 1/2 }
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9	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
10	-x+1/2,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 1/2 1/2 1/2 }
11	-x+1/2,-y+1/2,-z+1/2,+1	{ -1 \| 1/2 1/2 1/2 }
12	x+1/2,-y+1/2,z,+1	{ m₀₁₀ \| 1/2 1/2 0 }
13	x+1/2,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 1/2 1/2 }
14	-x+1/2,-y+1/2,z,-1	{ 2'₀₀₁ \| 1/2 1/2 0 }
15	-x+1/2,y+1/2,z,-1	{ m'₁₀₀ \| 1/2 1/2 0 }
16	x+1/2,y+1/2,-z+1/2,-1	{ m'₀₀₁ \| 1/2 1/2 1/2 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
3	-x,-y,-z,+1	-1
4	x,-y,z,+1	m₀₁₀
5	x,-y,-z,-1	2'₁₀₀
6	-x,-y,z,-1	2'₀₀₁
7	-x,y,z,-1	m'₁₀₀
8	x,y,-z,-1	m'₀₀₁

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_y	\|M\|
Mn1_1	Mn	0.00000	0.00000	0.00000	4	0,m_y,0	2.2(3)	2.20
Mn1_2	Mn	0.00000	0.50000	0.25000	2	0,m_y,0	-2.2	2.20
Mn1_3	Mn	0.00000	0.50000	0.75000	2	0,m_y,0	-2.2	2.20
Mn2_1	Mn	0.25000	0.25000	0.12500	8	m_x,m_y,0	2.7(2)	2.70
Mn2_2	Mn	0.25000	0.25000	0.62500	8	m_x,m_y,0	-2.7	2.70

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ni1_1	Ni	0.38290	0.38290	0.19145	16
Ni1_2	Ni	0.61710	0.38290	0.80855	16
Ni1_3	Ni	0.38290	0.88290	0.44145	16
Ni1_4	Ni	0.38290	0.88290	0.94145	16
Ni2_1	Ni	0.00000	0.82550	0.91275	8
Ni2_2	Ni	0.00000	0.82550	0.08725	8
Ni2_3	Ni	0.82550	0.00000	0.91275	8
Ni2_4	Ni	0.82550	0.00000	0.08725	8
Ni2_5	Ni	0.82550	0.82550	0.00000	16
Ni2_6	Ni	0.00000	0.32550	0.16275	8
Ni2_7	Ni	0.82550	0.50000	0.16275	8
Ni2_8	Ni	0.82550	0.32550	0.25000	8
Ni2_9	Ni	0.00000	0.32550	0.66275	8
Ni2_10	Ni	0.82550	0.50000	0.66275	8
Ni2_11	Ni	0.82550	0.32550	0.75000	8
P1_1	P	0.26470	0.00000	0.00000	8
P1_2	P	0.00000	0.26470	0.00000	8
P1_3	P	0.00000	0.00000	0.13235	4
P1_4	P	0.00000	0.00000	0.86765	4
P1_5	P	0.26470	0.50000	0.25000	4
P1_6	P	0.00000	0.76470	0.25000	4
P1_7	P	0.00000	0.50000	0.38235	4
P1_8	P	0.26470	0.50000	0.75000	4
P1_9	P	0.00000	0.76470	0.75000	4
P1_10	P	0.00000	0.50000	0.88235	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 Mn1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,m_y,0	0.00000	2.20000	0.00000
2	0.00000	0.00000	0.50000	0,m_y,0	0.00000	2.20000	0.00000
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3	0.50000	0.50000	0.00000	0,m_y,0	0.00000	2.20000	0.00000
4	0.50000	0.50000	0.50000	0,m_y,0	0.00000	2.20000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.25000	0,m_y,0	0.00000	-2.20000	0.00000
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2	0.50000	0.00000	0.25000	0,m_y,0	0.00000	-2.20000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.75000	0,m_y,0	0.00000	-2.20000	0.00000
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2	0.50000	0.00000	0.75000	0,m_y,0	0.00000	-2.20000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.12500	m_x,m_y,0	0.00000	2.70000	0.00000
2	0.75000	0.25000	0.37500	-m_x,m_y,0	0.00000	2.70000	0.00000
3	0.75000	0.75000	0.37500	m_x,m_y,0	0.00000	2.70000	0.00000
4	0.25000	0.75000	0.12500	-m_x,m_y,0	0.00000	2.70000	0.00000
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5	0.75000	0.75000	0.12500	m_x,m_y,0	0.00000	2.70000	0.00000
6	0.25000	0.75000	0.37500	-m_x,m_y,0	0.00000	2.70000	0.00000
7	0.25000	0.25000	0.37500	m_x,m_y,0	0.00000	2.70000	0.00000
8	0.75000	0.25000	0.12500	-m_x,m_y,0	0.00000	2.70000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.62500	m_x,m_y,0	0.00000	-2.70000	0.00000
2	0.75000	0.25000	0.87500	-m_x,m_y,0	0.00000	-2.70000	0.00000
3	0.75000	0.75000	0.87500	m_x,m_y,0	0.00000	-2.70000	0.00000
4	0.25000	0.75000	0.62500	-m_x,m_y,0	0.00000	-2.70000	0.00000
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5	0.75000	0.75000	0.62500	m_x,m_y,0	0.00000	-2.70000	0.00000
6	0.25000	0.75000	0.87500	-m_x,m_y,0	0.00000	-2.70000	0.00000
7	0.25000	0.25000	0.87500	m_x,m_y,0	0.00000	-2.70000	0.00000
8	0.75000	0.25000	0.62500	-m_x,m_y,0	0.00000	-2.70000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ni1_1:

Atom	x	y	z
1	0.38290	0.38290	0.19145
2	0.61710	0.38290	0.30855
3	0.61710	0.61710	0.30855
4	0.38290	0.61710	0.19145
5	0.38290	0.61710	0.30855
6	0.61710	0.61710	0.19145
7	0.61710	0.38290	0.19145
8	0.38290	0.38290	0.30855
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9	0.88290	0.88290	0.19145
10	0.11710	0.88290	0.30855
11	0.11710	0.11710	0.30855
12	0.88290	0.11710	0.19145
13	0.88290	0.11710	0.30855
14	0.11710	0.11710	0.19145
15	0.11710	0.88290	0.19145
16	0.88290	0.88290	0.30855

Set of atoms in the unit cell related by symmetry with the atom Ni1_2:

Atom	x	y	z
1	0.61710	0.38290	0.80855
2	0.38290	0.38290	0.69145
3	0.38290	0.61710	0.69145
4	0.61710	0.61710	0.80855
5	0.61710	0.61710	0.69145
6	0.38290	0.61710	0.80855
7	0.38290	0.38290	0.80855
8	0.61710	0.38290	0.69145
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9	0.11710	0.88290	0.80855
10	0.88290	0.88290	0.69145
11	0.88290	0.11710	0.69145
12	0.11710	0.11710	0.80855
13	0.11710	0.11710	0.69145
14	0.88290	0.11710	0.80855
15	0.88290	0.88290	0.80855
16	0.11710	0.88290	0.69145

Set of atoms in the unit cell related by symmetry with the atom Ni1_3:

Atom	x	y	z
1	0.38290	0.88290	0.44145
2	0.61710	0.88290	0.05855
3	0.61710	0.11710	0.05855
4	0.38290	0.11710	0.44145
5	0.38290	0.11710	0.05855
6	0.61710	0.11710	0.44145
7	0.61710	0.88290	0.44145
8	0.38290	0.88290	0.05855
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9	0.88290	0.38290	0.44145
10	0.11710	0.38290	0.05855
11	0.11710	0.61710	0.05855
12	0.88290	0.61710	0.44145
13	0.88290	0.61710	0.05855
14	0.11710	0.61710	0.44145
15	0.11710	0.38290	0.44145
16	0.88290	0.38290	0.05855

Set of atoms in the unit cell related by symmetry with the atom Ni1_4:

Atom	x	y	z
1	0.38290	0.88290	0.94145
2	0.61710	0.88290	0.55855
3	0.61710	0.11710	0.55855
4	0.38290	0.11710	0.94145
5	0.38290	0.11710	0.55855
6	0.61710	0.11710	0.94145
7	0.61710	0.88290	0.94145
8	0.38290	0.88290	0.55855
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9	0.88290	0.38290	0.94145
10	0.11710	0.38290	0.55855
11	0.11710	0.61710	0.55855
12	0.88290	0.61710	0.94145
13	0.88290	0.61710	0.55855
14	0.11710	0.61710	0.94145
15	0.11710	0.38290	0.94145
16	0.88290	0.38290	0.55855

Set of atoms in the unit cell related by symmetry with the atom Ni2_1:

Atom	x	y	z
1	0.00000	0.82550	0.91275
2	0.00000	0.82550	0.58725
3	0.00000	0.17450	0.58725
4	0.00000	0.17450	0.91275
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5	0.50000	0.32550	0.91275
6	0.50000	0.32550	0.58725
7	0.50000	0.67450	0.58725
8	0.50000	0.67450	0.91275

Set of atoms in the unit cell related by symmetry with the atom Ni2_2:

Atom	x	y	z
1	0.00000	0.82550	0.08725
2	0.00000	0.82550	0.41275
3	0.00000	0.17450	0.41275
4	0.00000	0.17450	0.08725
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5	0.50000	0.32550	0.08725
6	0.50000	0.32550	0.41275
7	0.50000	0.67450	0.41275
8	0.50000	0.67450	0.08725

Set of atoms in the unit cell related by symmetry with the atom Ni2_3:

Atom	x	y	z
1	0.82550	0.00000	0.91275
2	0.17450	0.00000	0.58725
3	0.82550	0.00000	0.58725
4	0.17450	0.00000	0.91275
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5	0.32550	0.50000	0.91275
6	0.67450	0.50000	0.58725
7	0.32550	0.50000	0.58725
8	0.67450	0.50000	0.91275

Set of atoms in the unit cell related by symmetry with the atom Ni2_4:

Atom	x	y	z
1	0.82550	0.00000	0.08725
2	0.17450	0.00000	0.41275
3	0.82550	0.00000	0.41275
4	0.17450	0.00000	0.08725
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5	0.32550	0.50000	0.08725
6	0.67450	0.50000	0.41275
7	0.32550	0.50000	0.41275
8	0.67450	0.50000	0.08725

Set of atoms in the unit cell related by symmetry with the atom Ni2_5:

Atom	x	y	z
1	0.82550	0.82550	0.00000
2	0.17450	0.82550	0.50000
3	0.17450	0.17450	0.50000
4	0.82550	0.17450	0.00000
5	0.82550	0.17450	0.50000
6	0.17450	0.17450	0.00000
7	0.17450	0.82550	0.00000
8	0.82550	0.82550	0.50000
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9	0.32550	0.32550	0.00000
10	0.67450	0.32550	0.50000
11	0.67450	0.67450	0.50000
12	0.32550	0.67450	0.00000
13	0.32550	0.67450	0.50000
14	0.67450	0.67450	0.00000
15	0.67450	0.32550	0.00000
16	0.32550	0.32550	0.50000

Set of atoms in the unit cell related by symmetry with the atom Ni2_6:

Atom	x	y	z
1	0.00000	0.32550	0.16275
2	0.00000	0.32550	0.33725
3	0.00000	0.67450	0.33725
4	0.00000	0.67450	0.16275
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5	0.50000	0.82550	0.16275
6	0.50000	0.82550	0.33725
7	0.50000	0.17450	0.33725
8	0.50000	0.17450	0.16275

Set of atoms in the unit cell related by symmetry with the atom Ni2_7:

Atom	x	y	z
1	0.82550	0.50000	0.16275
2	0.17450	0.50000	0.33725
3	0.82550	0.50000	0.33725
4	0.17450	0.50000	0.16275
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5	0.32550	0.00000	0.16275
6	0.67450	0.00000	0.33725
7	0.32550	0.00000	0.33725
8	0.67450	0.00000	0.16275

Set of atoms in the unit cell related by symmetry with the atom Ni2_8:

Atom	x	y	z
1	0.82550	0.32550	0.25000
2	0.17450	0.32550	0.25000
3	0.17450	0.67450	0.25000
4	0.82550	0.67450	0.25000
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5	0.32550	0.82550	0.25000
6	0.67450	0.82550	0.25000
7	0.67450	0.17450	0.25000
8	0.32550	0.17450	0.25000

Set of atoms in the unit cell related by symmetry with the atom Ni2_9:

Atom	x	y	z
1	0.00000	0.32550	0.66275
2	0.00000	0.32550	0.83725
3	0.00000	0.67450	0.83725
4	0.00000	0.67450	0.66275
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5	0.50000	0.82550	0.66275
6	0.50000	0.82550	0.83725
7	0.50000	0.17450	0.83725
8	0.50000	0.17450	0.66275

Set of atoms in the unit cell related by symmetry with the atom Ni2_10:

Atom	x	y	z
1	0.82550	0.50000	0.66275
2	0.17450	0.50000	0.83725
3	0.82550	0.50000	0.83725
4	0.17450	0.50000	0.66275
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5	0.32550	0.00000	0.66275
6	0.67450	0.00000	0.83725
7	0.32550	0.00000	0.83725
8	0.67450	0.00000	0.66275

Set of atoms in the unit cell related by symmetry with the atom Ni2_11:

Atom	x	y	z
1	0.82550	0.32550	0.75000
2	0.17450	0.32550	0.75000
3	0.17450	0.67450	0.75000
4	0.82550	0.67450	0.75000
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5	0.32550	0.82550	0.75000
6	0.67450	0.82550	0.75000
7	0.67450	0.17450	0.75000
8	0.32550	0.17450	0.75000

Set of atoms in the unit cell related by symmetry with the atom P1_1:

Atom	x	y	z
1	0.26470	0.00000	0.00000
2	0.73530	0.00000	0.50000
3	0.26470	0.00000	0.50000
4	0.73530	0.00000	0.00000
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5	0.76470	0.50000	0.00000
6	0.23530	0.50000	0.50000
7	0.76470	0.50000	0.50000
8	0.23530	0.50000	0.00000

Set of atoms in the unit cell related by symmetry with the atom P1_2:

Atom	x	y	z
1	0.00000	0.26470	0.00000
2	0.00000	0.26470	0.50000
3	0.00000	0.73530	0.50000
4	0.00000	0.73530	0.00000
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5	0.50000	0.76470	0.00000
6	0.50000	0.76470	0.50000
7	0.50000	0.23530	0.50000
8	0.50000	0.23530	0.00000

Set of atoms in the unit cell related by symmetry with the atom P1_3:

Atom	x	y	z
1	0.00000	0.00000	0.13235
2	0.00000	0.00000	0.36765
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3	0.50000	0.50000	0.13235
4	0.50000	0.50000	0.36765

Set of atoms in the unit cell related by symmetry with the atom P1_4:

Atom	x	y	z
1	0.00000	0.00000	0.86765
2	0.00000	0.00000	0.63235
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3	0.50000	0.50000	0.86765
4	0.50000	0.50000	0.63235

Set of atoms in the unit cell related by symmetry with the atom P1_5:

Atom	x	y	z
1	0.26470	0.50000	0.25000
2	0.73530	0.50000	0.25000
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3	0.76470	0.00000	0.25000
4	0.23530	0.00000	0.25000

Set of atoms in the unit cell related by symmetry with the atom P1_6:

Atom	x	y	z
1	0.00000	0.76470	0.25000
2	0.00000	0.23530	0.25000
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3	0.50000	0.26470	0.25000
4	0.50000	0.73530	0.25000

Set of atoms in the unit cell related by symmetry with the atom P1_7:

Atom	x	y	z
1	0.00000	0.50000	0.38235
2	0.00000	0.50000	0.11765
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3	0.50000	0.00000	0.38235
4	0.50000	0.00000	0.11765

Set of atoms in the unit cell related by symmetry with the atom P1_8:

Atom	x	y	z
1	0.26470	0.50000	0.75000
2	0.73530	0.50000	0.75000
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3	0.76470	0.00000	0.75000
4	0.23530	0.00000	0.75000

Set of atoms in the unit cell related by symmetry with the atom P1_9:

Atom	x	y	z
1	0.00000	0.76470	0.75000
2	0.00000	0.23530	0.75000
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3	0.50000	0.26470	0.75000
4	0.50000	0.73530	0.75000

Set of atoms in the unit cell related by symmetry with the atom P1_10:

Atom	x	y	z
1	0.00000	0.50000	0.88235
2	0.00000	0.50000	0.61765
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3	0.50000	0.00000	0.88235
4	0.50000	0.00000	0.61765

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_y	\|M\|
Mn1_1	Mn	0.00000	0.00000	0.00000	4	0,m_y,0	2.2(3)	2.20
Mn1_2	Mn	0.00000	0.50000	0.25000	2	0,m_y,0	-2.2	2.20
Mn1_3	Mn	0.00000	0.50000	0.75000	2	0,m_y,0	-2.2	2.20
Mn2_1	Mn	0.25000	0.25000	0.12500	8	m_x,m_y,0	2.7(2)	2.70
Mn2_2	Mn	0.25000	0.25000	0.62500	8	m_x,m_y,0	-2.7	2.70

[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: