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,x,z+1/2,+1	{ 6⁺₀₀₁ \| 0 0 1/2 }
3	-y,x-y,z,+1	{ 3⁺₀₀₁ \| 0 }
4	-x,-y,z+1/2,+1	{ 2₀₀₁ \| 0 0 1/2 }
5	-x+y,-x,z,+1	{ 3^-₀₀₁ \| 0 }
6	y,-x+y,z+1/2,+1	{ 6^-₀₀₁ \| 0 0 1/2 }
7	-x,-y,-z,+1	{ -1 \| 0 }
8	-x+y,-x,-z+1/2,+1	{ -6⁺₀₀₁ \| 0 0 1/2 }
9	y,-x+y,-z,+1	{ -3⁺₀₀₁ \| 0 }
10	x,y,-z+1/2,+1	{ m₀₀₁ \| 0 0 1/2 }
11	x-y,x,-z,+1	{ -3^-₀₀₁ \| 0 }
12	-y,x-y,-z+1/2,+1	{ -6^-₀₀₁ \| 0 0 1/2 }
13	x-y,-y,-z,-1	{ 2'₁₀₀ \| 0 }
14	y,x,-z,-1	{ 2'₁₁₀ \| 0 }
15	-x,-x+y,-z,-1	{ 2'₀₁₀ \| 0 }
16	x,x-y,-z+1/2,-1	{ 2'₂₁₀ \| 0 0 1/2 }
17	-x+y,y,-z+1/2,-1	{ 2'₁₂₀ \| 0 0 1/2 }
18	-y,-x,-z+1/2,-1	{ 2'_1-10 \| 0 0 1/2 }
19	-x+y,y,z,-1	{ m'₁₀₀ \| 0 }
20	-y,-x,z,-1	{ m'₁₁₀ \| 0 }
21	x,x-y,z,-1	{ m'₀₁₀ \| 0 }
22	-x,-x+y,z+1/2,-1	{ m'₂₁₀ \| 0 0 1/2 }
23	x-y,-y,z+1/2,-1	{ m'₁₂₀ \| 0 0 1/2 }
24	y,x,z+1/2,-1	{ m'_1-10 \| 0 0 1/2 }

[Hide]

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x-y,x,z,+1	6⁺₀₀₁
3	-y,x-y,z,+1	3⁺₀₀₁
4	-x,-y,z,+1	2₀₀₁
5	-x+y,-x,z,+1	3^-₀₀₁
6	y,-x+y,z,+1	6^-₀₀₁
7	-x,-y,-z,+1	-1
8	-x+y,-x,-z,+1	-6⁺₀₀₁
9	y,-x+y,-z,+1	-3⁺₀₀₁
10	x,y,-z,+1	m₀₀₁
11	x-y,x,-z,+1	-3^-₀₀₁
12	-y,x-y,-z,+1	-6^-₀₀₁
13	x-y,-y,-z,-1	2'₁₀₀
14	y,x,-z,-1	2'₁₁₀
15	-x,-x+y,-z,-1	2'₀₁₀
16	x,x-y,-z,-1	2'₂₁₀
17	-x+y,y,-z,-1	2'₁₂₀
18	-y,-x,-z,-1	2'_1-10
19	-x+y,y,z,-1	m'₁₀₀
20	-y,-x,z,-1	m'₁₁₀
21	x,x-y,z,-1	m'₀₁₀
22	-x,-x+y,z,-1	m'₂₁₀
23	x-y,-y,z,-1	m'₁₂₀
24	y,x,z,-1	m'_1-10

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Fe1	Fe	0.33333	0.66667	0.75000	1.	2	0,0,m_z	3.8(1)	3.80
Fe2	Fe	0.33333	0.66667	0.57460	0.914	4	0,0,m_z	4.1(1)	4.10
Fe3	Fe	0.50000	0.00000	0.00000	0.595	6	m_x,2m_x,m_z	3.0(1)	3.00
Fe4	Fe	0.00000	0.00000	0.05580	0.852	4	0,0,m_z	-4.1(2)	4.10
Fe5	Fe	0.33333	0.66667	0.09330	0.876	4	0,0,m_z	-4.0(1)	4.00
Fe6	Fe	0.33333	0.66667	0.20820	1.	4	0,0,m_z	-5.0(1)	5.00
Fe7	Fe	0.83620	0.67240	0.14950	1.	12	m_x,2m_x,m_z	4.6(1)	4.60

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Ba1	Ba	0.00000	0.00000	0.25000	1.	2
Mg1	Mg	0.33333	0.66667	0.57460	0.086	4
Mg2	Mg	0.50000	0.00000	0.00000	0.405	6
Mg3	Mg	0.00000	0.00000	0.05580	0.148	4
Mg4	Mg	0.33333	0.66667	0.09330	0.124	4
O1	O	0.00000	0.00000	0.11600	1.	4
O2	O	0.33333	0.66667	0.03170	1.	4
O3	O	0.33333	0.66667	0.67300	1.	4
O4	O	0.48900	0.97800	0.25000	1.	6
O5	O	0.50300	0.00600	0.10960	1.	12
O6	O	0.82500	0.65000	0.03710	1.	12
O7	O	0.16400	0.32800	0.18200	1.	12

[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 Fe1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.33333	0.66667	0.75000	0,0,m_z	0.00000	0.00000	3.80000
2	0.66666	0.33333	0.25000	0,0,m_z	0.00000	0.00000	3.80000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2:

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.33333	0.66667	0.57460	0,0,m_z	4.10000
2	0.66666	0.33333	0.07460	0,0,m_z	4.10000
3	0.66667	0.33333	0.42540	0,0,m_z	4.10000
4	0.33334	0.66667	0.92540	0,0,m_z	4.10000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe3:

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.50000	0.00000	0.00000	m_x,2m_x,m_z	3.00000
2	0.50000	0.50000	0.50000	-m_x,m_x,m_z	3.00000
3	0.00000	0.50000	0.00000	-2m_x,-m_x,m_z	3.00000
4	0.50000	0.00000	0.50000	-m_x,-2m_x,m_z	3.00000
5	0.50000	0.50000	0.00000	m_x,-m_x,m_z	3.00000
6	0.00000	0.50000	0.50000	2m_x,m_x,m_z	3.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe4:

Atom	z	Symmetry constraints on M	M_z
1	0.05580	0,0,m_z	-4.10000
2	0.55580	0,0,m_z	-4.10000
3	0.94420	0,0,m_z	-4.10000
4	0.44420	0,0,m_z	-4.10000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe5:

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.33333	0.66667	0.09330	0,0,m_z	-4.00000
2	0.66666	0.33333	0.59330	0,0,m_z	-4.00000
3	0.66667	0.33333	0.90670	0,0,m_z	-4.00000
4	0.33334	0.66667	0.40670	0,0,m_z	-4.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe6:

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.33333	0.66667	0.20820	0,0,m_z	-5.00000
2	0.66666	0.33333	0.70820	0,0,m_z	-5.00000
3	0.66667	0.33333	0.79180	0,0,m_z	-5.00000
4	0.33334	0.66667	0.29180	0,0,m_z	-5.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe7:

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.83620	0.67240	0.14950	m_x,2m_x,m_z	4.60000
2	0.16380	0.83620	0.64950	-m_x,m_x,m_z	4.60000
3	0.32760	0.16380	0.14950	-2m_x,-m_x,m_z	4.60000
4	0.16380	0.32760	0.64950	-m_x,-2m_x,m_z	4.60000
5	0.83620	0.16380	0.14950	m_x,-m_x,m_z	4.60000
6	0.67240	0.83620	0.64950	2m_x,m_x,m_z	4.60000
7	0.16380	0.32760	0.85050	m_x,2m_x,m_z	4.60000
8	0.83620	0.16380	0.35050	-m_x,m_x,m_z	4.60000
9	0.67240	0.83620	0.85050	-2m_x,-m_x,m_z	4.60000
10	0.83620	0.67240	0.35050	-m_x,-2m_x,m_z	4.60000
11	0.16380	0.83620	0.85050	m_x,-m_x,m_z	4.60000
12	0.32760	0.16380	0.35050	2m_x,m_x,m_z	4.60000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.00000	0.00000	0.25000
2	0.00000	0.00000	0.75000

Set of atoms in the unit cell related by symmetry with the atom Mg1:

Atom	x	y	z
1	0.33333	0.66667	0.57460
2	0.66666	0.33333	0.07460
3	0.66667	0.33333	0.42540
4	0.33334	0.66667	0.92540

Set of atoms in the unit cell related by symmetry with the atom Mg2:

Atom	x	y	z
1	0.50000	0.00000	0.00000
2	0.50000	0.50000	0.50000
3	0.00000	0.50000	0.00000
4	0.50000	0.00000	0.50000
5	0.50000	0.50000	0.00000
6	0.00000	0.50000	0.50000

Set of atoms in the unit cell related by symmetry with the atom Mg3:

Atom	x	y	z
1	0.00000	0.00000	0.05580
2	0.00000	0.00000	0.55580
3	0.00000	0.00000	0.94420
4	0.00000	0.00000	0.44420

Set of atoms in the unit cell related by symmetry with the atom Mg4:

Atom	x	y	z
1	0.33333	0.66667	0.09330
2	0.66666	0.33333	0.59330
3	0.66667	0.33333	0.90670
4	0.33334	0.66667	0.40670

Set of atoms in the unit cell related by symmetry with the atom O1:

Atom	x	y	z
1	0.00000	0.00000	0.11600
2	0.00000	0.00000	0.61600
3	0.00000	0.00000	0.88400
4	0.00000	0.00000	0.38400

Set of atoms in the unit cell related by symmetry with the atom O2:

Atom	x	y	z
1	0.33333	0.66667	0.03170
2	0.66666	0.33333	0.53170
3	0.66667	0.33333	0.96830
4	0.33334	0.66667	0.46830

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

Atom	x	y	z
1	0.33333	0.66667	0.67300
2	0.66666	0.33333	0.17300
3	0.66667	0.33333	0.32700
4	0.33334	0.66667	0.82700

Set of atoms in the unit cell related by symmetry with the atom O4:

Atom	x	y	z
1	0.48900	0.97800	0.25000
2	0.51100	0.48900	0.75000
3	0.02200	0.51100	0.25000
4	0.51100	0.02200	0.75000
5	0.48900	0.51100	0.25000
6	0.97800	0.48900	0.75000

Set of atoms in the unit cell related by symmetry with the atom O5:

Atom	x	y	z
1	0.50300	0.00600	0.10960
2	0.49700	0.50300	0.60960
3	0.99400	0.49700	0.10960
4	0.49700	0.99400	0.60960
5	0.50300	0.49700	0.10960
6	0.00600	0.50300	0.60960
7	0.49700	0.99400	0.89040
8	0.50300	0.49700	0.39040
9	0.00600	0.50300	0.89040
10	0.50300	0.00600	0.39040
11	0.49700	0.50300	0.89040
12	0.99400	0.49700	0.39040

Set of atoms in the unit cell related by symmetry with the atom O6:

Atom	x	y	z
1	0.82500	0.65000	0.03710
2	0.17500	0.82500	0.53710
3	0.35000	0.17500	0.03710
4	0.17500	0.35000	0.53710
5	0.82500	0.17500	0.03710
6	0.65000	0.82500	0.53710
7	0.17500	0.35000	0.96290
8	0.82500	0.17500	0.46290
9	0.65000	0.82500	0.96290
10	0.82500	0.65000	0.46290
11	0.17500	0.82500	0.96290
12	0.35000	0.17500	0.46290

Set of atoms in the unit cell related by symmetry with the atom O7:

Atom	x	y	z
1	0.16400	0.32800	0.18200
2	0.83600	0.16400	0.68200
3	0.67200	0.83600	0.18200
4	0.83600	0.67200	0.68200
5	0.16400	0.83600	0.18200
6	0.32800	0.16400	0.68200
7	0.83600	0.67200	0.81800
8	0.16400	0.83600	0.31800
9	0.32800	0.16400	0.81800
10	0.16400	0.32800	0.31800
11	0.83600	0.16400	0.81800
12	0.67200	0.83600	0.31800

[Hide]

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Fe1	Fe	0.33333	0.66667	0.75000	1.	2	0,0,m_z	3.8(1)	3.80
Fe2	Fe	0.33333	0.66667	0.57460	0.914	4	0,0,m_z	4.1(1)	4.10
Fe3	Fe	0.50000	0.00000	0.00000	0.595	6	m_x,2m_x,m_z	3.0(1)	3.00
Fe4	Fe	0.00000	0.00000	0.05580	0.852	4	0,0,m_z	-4.1(2)	4.10
Fe5	Fe	0.33333	0.66667	0.09330	0.876	4	0,0,m_z	-4.0(1)	4.00
Fe6	Fe	0.33333	0.66667	0.20820	1.	4	0,0,m_z	-5.0(1)	5.00
Fe7	Fe	0.83620	0.67240	0.14950	1.	12	m_x,2m_x,m_z	4.6(1)	4.60

[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: