MAGNDATA - Collection of Magnetic Structures

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

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

Magnetic atoms:

Label	Atom type	x	y	Multiplicity	Symmetry constraints on M	M_x	M_y	\|M\|
Sm1	Sm	0.00000	0.00000	6	m_x,m_y,m_z	0.71	0.87	0.80
Fe1_1	Fe	0.55030	0.00000	6	m_x,m_y,m_z	4.2(1)	0.0	4.20
Fe1_2	Fe	0.00000	0.55030	6	m_x,m_y,m_z	4.2	0.0	4.20
Fe1_3	Fe	0.44970	0.44970	6	m_x,m_y,m_z	4.2	0.0	4.20

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
O1_1	O	0.85640	0.00000	0.25000	6
O1_2	O	0.00000	0.85640	0.25000	6
O1_3	O	0.14360	0.14360	0.25000	6
O2_1	O	0.59220	0.00000	0.25000	6
O2_2	O	0.00000	0.59220	0.25000	6
O2_3	O	0.40780	0.40780	0.25000	6
O3_1	O	0.02730	0.21440	0.09185	6
O3_2	O	0.78560	0.81290	0.09185	6
O3_3	O	0.18710	0.97270	0.09185	6
O3_4	O	0.21440	0.02730	0.90815	6
O3_5	O	0.81290	0.78560	0.90815	6
O3_6	O	0.97270	0.18710	0.90815	6
B1	B	0.00000	0.00000	0.25000	6
B2_1	B	0.44620	0.00000	0.25000	6
B2_2	B	0.00000	0.44620	0.25000	6
B2_3	B	0.55380	0.55380	0.25000	6

[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 Sm1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_y,m_z	0.71000	0.87000	0.00000
(1/3,2/3,1/3) + set click here to show and hide
2	0.33333	0.66667	0.33333	m_x,m_y,m_z	0.71000	0.87000	0.00000
(2/3,1/3,2/3) + set click here to show and hide
3	0.66667	0.33333	0.66667	m_x,m_y,m_z	0.71000	0.87000	0.00000
(0,0,1/2)' + set click here to show and hide
4	0.00000	0.00000	0.50000	-m_x,-m_y,-m_z	-0.71000	-0.87000	0.00000
(1/3,2/3,5/6)' + set click here to show and hide
5	0.33333	0.66667	0.83333	-m_x,-m_y,-m_z	-0.71000	-0.87000	0.00000
(2/3,1/3,1/6)' + set click here to show and hide
6	0.66667	0.33333	0.16667	-m_x,-m_y,-m_z	-0.71000	-0.87000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.55030	0.00000	0.00000	m_x,m_y,m_z	4.20000	0.00000	0.00000
(1/3,2/3,1/3) + set click here to show and hide
2	0.88363	0.66667	0.33333	m_x,m_y,m_z	4.20000	0.00000	0.00000
(2/3,1/3,2/3) + set click here to show and hide
3	0.21697	0.33333	0.66667	m_x,m_y,m_z	4.20000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
4	0.55030	0.00000	0.50000	-m_x,-m_y,-m_z	-4.20000	0.00000	0.00000
(1/3,2/3,5/6)' + set click here to show and hide
5	0.88363	0.66667	0.83333	-m_x,-m_y,-m_z	-4.20000	0.00000	0.00000
(2/3,1/3,1/6)' + set click here to show and hide
6	0.21697	0.33333	0.16667	-m_x,-m_y,-m_z	-4.20000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.55030	0.00000	m_x,m_y,m_z	4.20000	0.00000	0.00000
(1/3,2/3,1/3) + set click here to show and hide
2	0.33333	0.21697	0.33333	m_x,m_y,m_z	4.20000	0.00000	0.00000
(2/3,1/3,2/3) + set click here to show and hide
3	0.66667	0.88363	0.66667	m_x,m_y,m_z	4.20000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
4	0.00000	0.55030	0.50000	-m_x,-m_y,-m_z	-4.20000	0.00000	0.00000
(1/3,2/3,5/6)' + set click here to show and hide
5	0.33333	0.21697	0.83333	-m_x,-m_y,-m_z	-4.20000	0.00000	0.00000
(2/3,1/3,1/6)' + set click here to show and hide
6	0.66667	0.88363	0.16667	-m_x,-m_y,-m_z	-4.20000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.44970	0.44970	0.00000	m_x,m_y,m_z	4.20000	0.00000	0.00000
(1/3,2/3,1/3) + set click here to show and hide
2	0.78303	0.11637	0.33333	m_x,m_y,m_z	4.20000	0.00000	0.00000
(2/3,1/3,2/3) + set click here to show and hide
3	0.11637	0.78303	0.66667	m_x,m_y,m_z	4.20000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
4	0.44970	0.44970	0.50000	-m_x,-m_y,-m_z	-4.20000	0.00000	0.00000
(1/3,2/3,5/6)' + set click here to show and hide
5	0.78303	0.11637	0.83333	-m_x,-m_y,-m_z	-4.20000	0.00000	0.00000
(2/3,1/3,1/6)' + set click here to show and hide
6	0.11637	0.78303	0.16667	-m_x,-m_y,-m_z	-4.20000	0.00000	0.00000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.85640	0.00000	0.25000
(1/3,2/3,1/3) + set click here to show and hide
2	0.18973	0.66667	0.58333
(2/3,1/3,2/3) + set click here to show and hide
3	0.52307	0.33333	0.91667
(0,0,1/2)' + set click here to show and hide
4	0.85640	0.00000	0.75000
(1/3,2/3,5/6)' + set click here to show and hide
5	0.18973	0.66667	0.08333
(2/3,1/3,1/6)' + set click here to show and hide
6	0.52307	0.33333	0.41667

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

Atom	x	y	z
1	0.00000	0.85640	0.25000
(1/3,2/3,1/3) + set click here to show and hide
2	0.33333	0.52307	0.58333
(2/3,1/3,2/3) + set click here to show and hide
3	0.66667	0.18973	0.91667
(0,0,1/2)' + set click here to show and hide
4	0.00000	0.85640	0.75000
(1/3,2/3,5/6)' + set click here to show and hide
5	0.33333	0.52307	0.08333
(2/3,1/3,1/6)' + set click here to show and hide
6	0.66667	0.18973	0.41667

Set of atoms in the unit cell related by symmetry with the atom O1_3:

Atom	x	y	z
1	0.14360	0.14360	0.25000
(1/3,2/3,1/3) + set click here to show and hide
2	0.47693	0.81027	0.58333
(2/3,1/3,2/3) + set click here to show and hide
3	0.81027	0.47693	0.91667
(0,0,1/2)' + set click here to show and hide
4	0.14360	0.14360	0.75000
(1/3,2/3,5/6)' + set click here to show and hide
5	0.47693	0.81027	0.08333
(2/3,1/3,1/6)' + set click here to show and hide
6	0.81027	0.47693	0.41667

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

Atom	x	y	z
1	0.59220	0.00000	0.25000
(1/3,2/3,1/3) + set click here to show and hide
2	0.92553	0.66667	0.58333
(2/3,1/3,2/3) + set click here to show and hide
3	0.25887	0.33333	0.91667
(0,0,1/2)' + set click here to show and hide
4	0.59220	0.00000	0.75000
(1/3,2/3,5/6)' + set click here to show and hide
5	0.92553	0.66667	0.08333
(2/3,1/3,1/6)' + set click here to show and hide
6	0.25887	0.33333	0.41667

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

Atom	x	y	z
1	0.00000	0.59220	0.25000
(1/3,2/3,1/3) + set click here to show and hide
2	0.33333	0.25887	0.58333
(2/3,1/3,2/3) + set click here to show and hide
3	0.66667	0.92553	0.91667
(0,0,1/2)' + set click here to show and hide
4	0.00000	0.59220	0.75000
(1/3,2/3,5/6)' + set click here to show and hide
5	0.33333	0.25887	0.08333
(2/3,1/3,1/6)' + set click here to show and hide
6	0.66667	0.92553	0.41667

Set of atoms in the unit cell related by symmetry with the atom O2_3:

Atom	x	y	z
1	0.40780	0.40780	0.25000
(1/3,2/3,1/3) + set click here to show and hide
2	0.74113	0.07447	0.58333
(2/3,1/3,2/3) + set click here to show and hide
3	0.07447	0.74113	0.91667
(0,0,1/2)' + set click here to show and hide
4	0.40780	0.40780	0.75000
(1/3,2/3,5/6)' + set click here to show and hide
5	0.74113	0.07447	0.08333
(2/3,1/3,1/6)' + set click here to show and hide
6	0.07447	0.74113	0.41667

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

Atom	x	y	z
1	0.02730	0.21440	0.09185
(1/3,2/3,1/3) + set click here to show and hide
2	0.36063	0.88107	0.42518
(2/3,1/3,2/3) + set click here to show and hide
3	0.69397	0.54773	0.75852
(0,0,1/2)' + set click here to show and hide
4	0.02730	0.21440	0.59185
(1/3,2/3,5/6)' + set click here to show and hide
5	0.36063	0.88107	0.92518
(2/3,1/3,1/6)' + set click here to show and hide
6	0.69397	0.54773	0.25852

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

Atom	x	y	z
1	0.78560	0.81290	0.09185
(1/3,2/3,1/3) + set click here to show and hide
2	0.11893	0.47957	0.42518
(2/3,1/3,2/3) + set click here to show and hide
3	0.45227	0.14623	0.75852
(0,0,1/2)' + set click here to show and hide
4	0.78560	0.81290	0.59185
(1/3,2/3,5/6)' + set click here to show and hide
5	0.11893	0.47957	0.92518
(2/3,1/3,1/6)' + set click here to show and hide
6	0.45227	0.14623	0.25852

Set of atoms in the unit cell related by symmetry with the atom O3_3:

Atom	x	y	z
1	0.18710	0.97270	0.09185
(1/3,2/3,1/3) + set click here to show and hide
2	0.52043	0.63937	0.42518
(2/3,1/3,2/3) + set click here to show and hide
3	0.85377	0.30603	0.75852
(0,0,1/2)' + set click here to show and hide
4	0.18710	0.97270	0.59185
(1/3,2/3,5/6)' + set click here to show and hide
5	0.52043	0.63937	0.92518
(2/3,1/3,1/6)' + set click here to show and hide
6	0.85377	0.30603	0.25852

Set of atoms in the unit cell related by symmetry with the atom O3_4:

Atom	x	y	z
1	0.21440	0.02730	0.90815
(1/3,2/3,1/3) + set click here to show and hide
2	0.54773	0.69397	0.24148
(2/3,1/3,2/3) + set click here to show and hide
3	0.88107	0.36063	0.57482
(0,0,1/2)' + set click here to show and hide
4	0.21440	0.02730	0.40815
(1/3,2/3,5/6)' + set click here to show and hide
5	0.54773	0.69397	0.74148
(2/3,1/3,1/6)' + set click here to show and hide
6	0.88107	0.36063	0.07482

Set of atoms in the unit cell related by symmetry with the atom O3_5:

Atom	x	y	z
1	0.81290	0.78560	0.90815
(1/3,2/3,1/3) + set click here to show and hide
2	0.14623	0.45227	0.24148
(2/3,1/3,2/3) + set click here to show and hide
3	0.47957	0.11893	0.57482
(0,0,1/2)' + set click here to show and hide
4	0.81290	0.78560	0.40815
(1/3,2/3,5/6)' + set click here to show and hide
5	0.14623	0.45227	0.74148
(2/3,1/3,1/6)' + set click here to show and hide
6	0.47957	0.11893	0.07482

Set of atoms in the unit cell related by symmetry with the atom O3_6:

Atom	x	y	z
1	0.97270	0.18710	0.90815
(1/3,2/3,1/3) + set click here to show and hide
2	0.30603	0.85377	0.24148
(2/3,1/3,2/3) + set click here to show and hide
3	0.63937	0.52043	0.57482
(0,0,1/2)' + set click here to show and hide
4	0.97270	0.18710	0.40815
(1/3,2/3,5/6)' + set click here to show and hide
5	0.30603	0.85377	0.74148
(2/3,1/3,1/6)' + set click here to show and hide
6	0.63937	0.52043	0.07482

Set of atoms in the unit cell related by symmetry with the atom B1:

Atom	x	y	z
1	0.00000	0.00000	0.25000
(1/3,2/3,1/3) + set click here to show and hide
2	0.33333	0.66667	0.58333
(2/3,1/3,2/3) + set click here to show and hide
3	0.66667	0.33333	0.91667
(0,0,1/2)' + set click here to show and hide
4	0.00000	0.00000	0.75000
(1/3,2/3,5/6)' + set click here to show and hide
5	0.33333	0.66667	0.08333
(2/3,1/3,1/6)' + set click here to show and hide
6	0.66667	0.33333	0.41667

Set of atoms in the unit cell related by symmetry with the atom B2_1:

Atom	x	y	z
1	0.44620	0.00000	0.25000
(1/3,2/3,1/3) + set click here to show and hide
2	0.77953	0.66667	0.58333
(2/3,1/3,2/3) + set click here to show and hide
3	0.11287	0.33333	0.91667
(0,0,1/2)' + set click here to show and hide
4	0.44620	0.00000	0.75000
(1/3,2/3,5/6)' + set click here to show and hide
5	0.77953	0.66667	0.08333
(2/3,1/3,1/6)' + set click here to show and hide
6	0.11287	0.33333	0.41667

Set of atoms in the unit cell related by symmetry with the atom B2_2:

Atom	x	y	z
1	0.00000	0.44620	0.25000
(1/3,2/3,1/3) + set click here to show and hide
2	0.33333	0.11287	0.58333
(2/3,1/3,2/3) + set click here to show and hide
3	0.66667	0.77953	0.91667
(0,0,1/2)' + set click here to show and hide
4	0.00000	0.44620	0.75000
(1/3,2/3,5/6)' + set click here to show and hide
5	0.33333	0.11287	0.08333
(2/3,1/3,1/6)' + set click here to show and hide
6	0.66667	0.77953	0.41667

Set of atoms in the unit cell related by symmetry with the atom B2_3:

Atom	x	y	z
1	0.55380	0.55380	0.25000
(1/3,2/3,1/3) + set click here to show and hide
2	0.88713	0.22047	0.58333
(2/3,1/3,2/3) + set click here to show and hide
3	0.22047	0.88713	0.91667
(0,0,1/2)' + set click here to show and hide
4	0.55380	0.55380	0.75000
(1/3,2/3,5/6)' + set click here to show and hide
5	0.88713	0.22047	0.08333
(2/3,1/3,1/6)' + set click here to show and hide
6	0.22047	0.88713	0.41667

[Hide]

Label	Atom type	x	y	Multiplicity	Symmetry constraints on M	M_x	M_y	\|M\|
Sm1	Sm	0.00000	0.00000	6	m_x,m_y,m_z	0.71	0.87	0.80
Fe1_1	Fe	0.55030	0.00000	6	m_x,m_y,m_z	4.2(1)	0.0	4.20
Fe1_2	Fe	0.00000	0.55030	6	m_x,m_y,m_z	4.2	0.0	4.20
Fe1_3	Fe	0.44970	0.44970	6	m_x,m_y,m_z	4.2	0.0	4.20

[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: