MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x+1/2,y+1/2,z,+1	{ m₁₀₀ \| 1/2 1/2 0 }
3	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
4	x+1/2,-y+1/2,z,-1	{ m'₀₁₀ \| 1/2 1/2 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,z,+1	m₁₀₀
3	-x,-y,z,-1	2'₀₀₁
4	x,-y,z,-1	m'₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	\|M\|
Mn1_1	Mn	0.07580	0.21440	0.99960	1.	4	m_x,m_y,m_z	-3.22	2.96	4.37
Mn1_2	Mn	0.78560	0.07580	0.49960	1.	4	m_x,m_y,m_z	-3.22	2.96	4.37
Mn3_1	Mn	0.00000	0.50000	0.00000	0.5	2	m_x,m_y,0	0.49	-4.63	4.66
Mn3_2	Mn	0.50000	0.00000	0.50000	0.5	2	m_x,m_y,0	0.49	-4.63	4.66
Fe2_1	Fe	0.29010	0.42440	0.00000	1.	4	m_x,m_y,m_z	4.87	3.09	5.77
Fe2_2	Fe	0.57560	0.29010	0.50000	1.	4	m_x,m_y,m_z	4.87	3.09	5.77
Fe3_1	Fe	0.00000	0.50000	0.00000	0.5	2	m_x,m_y,0	0.49	-4.63	4.66
Fe3_2	Fe	0.50000	0.00000	0.50000	0.5	2	m_x,m_y,0	0.49	-4.63	4.66

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
K1_1	K	0.00000	0.00000	0.25030	0.5	2
K1_2	K	0.00000	0.00000	0.75030	0.5	2
K2_1	K	0.16950	0.67280	0.25010	1.	4
K2_2	K	0.32720	0.16950	0.75010	1.	4
F1_1	F	0.00000	0.50000	0.25090	1.	2
F1_2	F	0.50000	0.00000	0.75090	1.	2
F2_1	F	0.07830	0.20990	0.26200	1.	4
F2_2	F	0.79010	0.07830	0.76200	1.	4
F3_1	F	0.92210	0.79490	0.74160	1.	4
F3_2	F	0.20510	0.92210	0.24160	1.	4
F4_1	F	0.98270	0.34620	0.00740	1.	4
F4_2	F	0.65380	0.98270	0.50740	1.	4
F5_1	F	0.34300	0.99620	0.00660	1.	4
F5_2	F	0.00380	0.34300	0.50660	1.	4
F6_1	F	0.14830	0.06500	0.00590	1.	4
F6_2	F	0.93500	0.14830	0.50590	1.	4
F7_1	F	0.07040	0.86500	0.00750	1.	4
F7_2	F	0.13500	0.07040	0.50750	1.	4
F8_1	F	0.27320	0.78420	0.99930	1.	4
F8_2	F	0.21580	0.27320	0.49930	1.	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
1	0.07580	0.21440	0.99960	m_x,m_y,m_z	-3.22000	2.96000
2	0.42420	0.71440	0.99960	m_x,-m_y,-m_z	-3.22000	-2.96000
3	0.92420	0.78560	0.99960	m_x,m_y,-m_z	-3.22000	2.96000
4	0.57580	0.28560	0.99960	m_x,-m_y,m_z	-3.22000	-2.96000

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
1	0.78560	0.07580	0.49960	m_x,m_y,m_z	-3.22000	2.96000
2	0.71440	0.57580	0.49960	m_x,-m_y,-m_z	-3.22000	-2.96000
3	0.21440	0.92420	0.49960	m_x,m_y,-m_z	-3.22000	2.96000
4	0.28560	0.42420	0.49960	m_x,-m_y,m_z	-3.22000	-2.96000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn3_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.00000	m_x,m_y,0	0.49000	-4.63000	0.00000
2	0.50000	0.00000	0.00000	m_x,-m_y,0	0.49000	4.63000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn3_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.50000	m_x,m_y,0	0.49000	-4.63000	0.00000
2	0.00000	0.50000	0.50000	m_x,-m_y,0	0.49000	4.63000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_1:

Atom	x	y	Symmetry constraints on M	M_x	M_y
1	0.29010	0.42440	m_x,m_y,m_z	4.87000	3.09000
2	0.20990	0.92440	m_x,-m_y,-m_z	4.87000	-3.09000
3	0.70990	0.57560	m_x,m_y,-m_z	4.87000	3.09000
4	0.79010	0.07560	m_x,-m_y,m_z	4.87000	-3.09000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y
1	0.57560	0.29010	0.50000	m_x,m_y,m_z	4.87000	3.09000
2	0.92440	0.79010	0.50000	m_x,-m_y,-m_z	4.87000	-3.09000
3	0.42440	0.70990	0.50000	m_x,m_y,-m_z	4.87000	3.09000
4	0.07560	0.20990	0.50000	m_x,-m_y,m_z	4.87000	-3.09000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe3_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.00000	m_x,m_y,0	0.49000	-4.63000	0.00000
2	0.50000	0.00000	0.00000	m_x,-m_y,0	0.49000	4.63000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe3_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.50000	m_x,m_y,0	0.49000	-4.63000	0.00000
2	0.00000	0.50000	0.50000	m_x,-m_y,0	0.49000	4.63000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom K1_1:

Atom	x	y	z
1	0.00000	0.00000	0.25030
2	0.50000	0.50000	0.25030

Set of atoms in the unit cell related by symmetry with the atom K1_2:

Atom	x	y	z
1	0.00000	0.00000	0.75030
2	0.50000	0.50000	0.75030

Set of atoms in the unit cell related by symmetry with the atom K2_1:

Atom	x	y	z
1	0.16950	0.67280	0.25010
2	0.33050	0.17280	0.25010
3	0.83050	0.32720	0.25010
4	0.66950	0.82720	0.25010

Set of atoms in the unit cell related by symmetry with the atom K2_2:

Atom	x	y	z
1	0.32720	0.16950	0.75010
2	0.17280	0.66950	0.75010
3	0.67280	0.83050	0.75010
4	0.82720	0.33050	0.75010

Set of atoms in the unit cell related by symmetry with the atom F1_1:

Atom	x	y	z
1	0.00000	0.50000	0.25090
2	0.50000	0.00000	0.25090

Set of atoms in the unit cell related by symmetry with the atom F1_2:

Atom	x	y	z
1	0.50000	0.00000	0.75090
2	0.00000	0.50000	0.75090

Set of atoms in the unit cell related by symmetry with the atom F2_1:

Atom	x	y	z
1	0.07830	0.20990	0.26200
2	0.42170	0.70990	0.26200
3	0.92170	0.79010	0.26200
4	0.57830	0.29010	0.26200

Set of atoms in the unit cell related by symmetry with the atom F2_2:

Atom	x	y	z
1	0.79010	0.07830	0.76200
2	0.70990	0.57830	0.76200
3	0.20990	0.92170	0.76200
4	0.29010	0.42170	0.76200

Set of atoms in the unit cell related by symmetry with the atom F3_1:

Atom	x	y	z
1	0.92210	0.79490	0.74160
2	0.57790	0.29490	0.74160
3	0.07790	0.20510	0.74160
4	0.42210	0.70510	0.74160

Set of atoms in the unit cell related by symmetry with the atom F3_2:

Atom	x	y	z
1	0.20510	0.92210	0.24160
2	0.29490	0.42210	0.24160
3	0.79490	0.07790	0.24160
4	0.70510	0.57790	0.24160

Set of atoms in the unit cell related by symmetry with the atom F4_1:

Atom	x	y	z
1	0.98270	0.34620	0.00740
2	0.51730	0.84620	0.00740
3	0.01730	0.65380	0.00740
4	0.48270	0.15380	0.00740

Set of atoms in the unit cell related by symmetry with the atom F4_2:

Atom	x	y	z
1	0.65380	0.98270	0.50740
2	0.84620	0.48270	0.50740
3	0.34620	0.01730	0.50740
4	0.15380	0.51730	0.50740

Set of atoms in the unit cell related by symmetry with the atom F5_1:

Atom	x	y	z
1	0.34300	0.99620	0.00660
2	0.15700	0.49620	0.00660
3	0.65700	0.00380	0.00660
4	0.84300	0.50380	0.00660

Set of atoms in the unit cell related by symmetry with the atom F5_2:

Atom	x	y	z
1	0.00380	0.34300	0.50660
2	0.49620	0.84300	0.50660
3	0.99620	0.65700	0.50660
4	0.50380	0.15700	0.50660

Set of atoms in the unit cell related by symmetry with the atom F6_1:

Atom	x	y	z
1	0.14830	0.06500	0.00590
2	0.35170	0.56500	0.00590
3	0.85170	0.93500	0.00590
4	0.64830	0.43500	0.00590

Set of atoms in the unit cell related by symmetry with the atom F6_2:

Atom	x	y	z
1	0.93500	0.14830	0.50590
2	0.56500	0.64830	0.50590
3	0.06500	0.85170	0.50590
4	0.43500	0.35170	0.50590

Set of atoms in the unit cell related by symmetry with the atom F7_1:

Atom	x	y	z
1	0.07040	0.86500	0.00750
2	0.42960	0.36500	0.00750
3	0.92960	0.13500	0.00750
4	0.57040	0.63500	0.00750

Set of atoms in the unit cell related by symmetry with the atom F7_2:

Atom	x	y	z
1	0.13500	0.07040	0.50750
2	0.36500	0.57040	0.50750
3	0.86500	0.92960	0.50750
4	0.63500	0.42960	0.50750

Set of atoms in the unit cell related by symmetry with the atom F8_1:

Atom	x	y	z
1	0.27320	0.78420	0.99930
2	0.22680	0.28420	0.99930
3	0.72680	0.21580	0.99930
4	0.77320	0.71580	0.99930

Set of atoms in the unit cell related by symmetry with the atom F8_2:

Atom	x	y	z
1	0.21580	0.27320	0.49930
2	0.28420	0.77320	0.49930
3	0.78420	0.72680	0.49930
4	0.71580	0.22680	0.49930

[Hide]

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	\|M\|
Mn1_1	Mn	0.07580	0.21440	0.99960	1.	4	m_x,m_y,m_z	-3.22	2.96	4.37
Mn1_2	Mn	0.78560	0.07580	0.49960	1.	4	m_x,m_y,m_z	-3.22	2.96	4.37
Mn3_1	Mn	0.00000	0.50000	0.00000	0.5	2	m_x,m_y,0	0.49	-4.63	4.66
Mn3_2	Mn	0.50000	0.00000	0.50000	0.5	2	m_x,m_y,0	0.49	-4.63	4.66
Fe2_1	Fe	0.29010	0.42440	0.00000	1.	4	m_x,m_y,m_z	4.87	3.09	5.77
Fe2_2	Fe	0.57560	0.29010	0.50000	1.	4	m_x,m_y,m_z	4.87	3.09	5.77
Fe3_1	Fe	0.00000	0.50000	0.00000	0.5	2	m_x,m_y,0	0.49	-4.63	4.66
Fe3_2	Fe	0.50000	0.00000	0.50000	0.5	2	m_x,m_y,0	0.49	-4.63	4.66

[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: