MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x,-y,z+1/2,+1	{ 2₀₀₁ \| 0 0 1/2 }
3	x,2x-y,z,+1	{ m₀₁₀ \| 0 }
4	-x,-2x+y,z+1/2,+1	{ m₁₁₀ \| 0 0 1/2 }
(1/2,0,0)' + set click here to show and hide
5	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
6	-x+1/2,-y,z+1/2,-1	{ 2'₀₀₁ \| 1/2 0 1/2 }
7	x+1/2,2x-y,z,-1	{ m'₀₁₀ \| 1/2 0 0 }
8	-x+1/2,-2x+y,z+1/2,-1	{ m'₁₁₀ \| 1/2 0 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,z,+1	2₀₀₁
3	x,2x-y,z,+1	m₀₁₀
4	-x,-2x+y,z,+1	m₁₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,-y,z,-1	2'₀₀₁
7	x,2x-y,z,-1	m'₀₁₀
8	-x,-2x+y,z,-1	m'₁₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_y	\|M\|
Nd1_1	Nd	0.23950	0.52100	0.82910	0.666667	8	m_x,m_y,m_z	-1.42(9)	1.42
Nd1_2	Nd	0.52100	0.52100	0.82910	0.666667	4	0,m_y,0	1.42(9)	1.42
Fe1	Fe	0.16667	0.66667	0.01550	1.	4	0,m_y,0	3.14(5)	3.14
Fe2_1	Fe	0.08855	0.82290	0.66000	1.	8	m_x,m_y,m_z	-3.88(8)	3.88
Fe2_2	Fe	0.82290	0.82290	0.66000	1.	1	0,m_y,0	3.88(8).	3.88

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Ba1	Ba	0.00000	0.00000	0.00000	1.	4
Ba2	Ba	0.16667	0.66667	0.48270	1.	4
Ba3_1	Ba	0.08685	0.82630	0.16090	1.	8
Ba3_2	Ba	0.82630	0.82630	0.16090	1.	4
Ba4_1	Ba	0.23950	0.52100	0.82910	0.333333	8
Ba4_2	Ba	0.52100	0.52100	0.82910	0.333333	4
O1_1	O	0.33710	0.06590	0.02140	1.	8
O1_2	O	0.96705	0.60830	0.02140	1.	8
O1_3	O	0.69585	0.32580	0.02140	1.	8
O2_1	O	0.12515	0.74970	0.83570	1.	8
O2_2	O	0.74970	0.74970	0.83570	1.	4
O3_1	O	0.20750	0.58500	0.16650	1.	8
O3_2	O	0.58500	0.58500	0.16650	1.	4
O4_1	O	0.45080	0.09840	0.26880	1.	8
O4_2	O	0.09840	0.09840	0.26880	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 Nd1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.23950	0.52100	0.82910	m_x,m_y,m_z	0.00000	-1.42000	0.00000
2	0.76050	0.47900	0.32910	-m_x,-m_y,m_z	0.00000	1.42000	0.00000
3	0.23950	0.95800	0.82910	-m_x,-m_x+m_y,-m_z	0.00000	-1.42000	0.00000
4	0.76050	0.04200	0.32910	m_x,m_x-m_y,-m_z	0.00000	1.42000	0.00000
(1/2,0,0)' + set click here to show and hide
5	0.73950	0.52100	0.82910	-m_x,-m_y,-m_z	0.00000	1.42000	0.00000
6	0.26050	0.47900	0.32910	m_x,m_y,-m_z	0.00000	-1.42000	0.00000
7	0.73950	0.95800	0.82910	m_x,m_x-m_y,m_z	0.00000	1.42000	0.00000
8	0.26050	0.04200	0.32910	-m_x,-m_x+m_y,m_z	0.00000	-1.42000	0.00000

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	0.52100	0.52100	0.82910	0,m_y,0	0.00000	1.42000	0.00000
2	0.47900	0.47900	0.32910	0,-m_y,0	0.00000	-1.42000	0.00000
(1/2,0,0)' + set click here to show and hide
3	0.02100	0.52100	0.82910	0,-m_y,0	0.00000	-1.42000	0.00000
4	0.97900	0.47900	0.32910	0,m_y,0	0.00000	1.42000	0.00000

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	0.16667	0.66667	0.01550	0,m_y,0	0.00000	3.14000	0.00000
2	0.83333	0.33333	0.51550	0,-m_y,0	0.00000	-3.14000	0.00000
(1/2,0,0)' + set click here to show and hide
3	0.66667	0.66667	0.01550	0,-m_y,0	0.00000	-3.14000	0.00000
4	0.33333	0.33333	0.51550	0,m_y,0	0.00000	3.14000	0.00000

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

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.08855	0.82290	0.66000	m_x,m_y,m_z	0.00000	-3.88000	0.00000
2	0.91145	0.17710	0.16000	-m_x,-m_y,m_z	0.00000	3.88000	0.00000
3	0.08855	0.35420	0.66000	-m_x,-m_x+m_y,-m_z	0.00000	-3.88000	0.00000
4	0.91145	0.64580	0.16000	m_x,m_x-m_y,-m_z	0.00000	3.88000	0.00000
(1/2,0,0)' + set click here to show and hide
5	0.58855	0.82290	0.66000	-m_x,-m_y,-m_z	0.00000	3.88000	0.00000
6	0.41145	0.17710	0.16000	m_x,m_y,-m_z	0.00000	-3.88000	0.00000
7	0.58855	0.35420	0.66000	m_x,m_x-m_y,m_z	0.00000	3.88000	0.00000
8	0.41145	0.64580	0.16000	-m_x,-m_x+m_y,m_z	0.00000	-3.88000	0.00000

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	M_z
1

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	0.00000
2	0.00000	0.00000	0.50000
(1/2,0,0)' + set click here to show and hide
3	0.50000	0.00000	0.00000
4	0.50000	0.00000	0.50000

Set of atoms in the unit cell related by symmetry with the atom Ba2:

Atom	x	y	z
1	0.16667	0.66667	0.48270
2	0.83333	0.33333	0.98270
(1/2,0,0)' + set click here to show and hide
3	0.66667	0.66667	0.48270
4	0.33333	0.33333	0.98270

Set of atoms in the unit cell related by symmetry with the atom Ba3_1:

Atom	x	y	z
1	0.08685	0.82630	0.16090
2	0.91315	0.17370	0.66090
3	0.08685	0.34740	0.16090
4	0.91315	0.65260	0.66090
(1/2,0,0)' + set click here to show and hide
5	0.58685	0.82630	0.16090
6	0.41315	0.17370	0.66090
7	0.58685	0.34740	0.16090
8	0.41315	0.65260	0.66090

Set of atoms in the unit cell related by symmetry with the atom Ba3_2:

Atom	x	y	z
1	0.82630	0.82630	0.16090
2	0.17370	0.17370	0.66090
(1/2,0,0)' + set click here to show and hide
3	0.32630	0.82630	0.16090
4	0.67370	0.17370	0.66090

Set of atoms in the unit cell related by symmetry with the atom Ba4_1:

Atom	x	y	z
1	0.23950	0.52100	0.82910
2	0.76050	0.47900	0.32910
3	0.23950	0.95800	0.82910
4	0.76050	0.04200	0.32910
(1/2,0,0)' + set click here to show and hide
5	0.73950	0.52100	0.82910
6	0.26050	0.47900	0.32910
7	0.73950	0.95800	0.82910
8	0.26050	0.04200	0.32910

Set of atoms in the unit cell related by symmetry with the atom Ba4_2:

Atom	x	y	z
1	0.52100	0.52100	0.82910
2	0.47900	0.47900	0.32910
(1/2,0,0)' + set click here to show and hide
3	0.02100	0.52100	0.82910
4	0.97900	0.47900	0.32910

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

Atom	x	y	z
1	0.33710	0.06590	0.02140
2	0.66290	0.93410	0.52140
3	0.33710	0.60830	0.02140
4	0.66290	0.39170	0.52140
(1/2,0,0)' + set click here to show and hide
5	0.83710	0.06590	0.02140
6	0.16290	0.93410	0.52140
7	0.83710	0.60830	0.02140
8	0.16290	0.39170	0.52140

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

Atom	x	y	z
1	0.96705	0.60830	0.02140
2	0.03295	0.39170	0.52140
3	0.96705	0.32580	0.02140
4	0.03295	0.67420	0.52140
(1/2,0,0)' + set click here to show and hide
5	0.46705	0.60830	0.02140
6	0.53295	0.39170	0.52140
7	0.46705	0.32580	0.02140
8	0.53295	0.67420	0.52140

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

Atom	x	y	z
1	0.69585	0.32580	0.02140
2	0.30415	0.67420	0.52140
3	0.69585	0.06590	0.02140
4	0.30415	0.93410	0.52140
(1/2,0,0)' + set click here to show and hide
5	0.19585	0.32580	0.02140
6	0.80415	0.67420	0.52140
7	0.19585	0.06590	0.02140
8	0.80415	0.93410	0.52140

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

Atom	x	y	z
1	0.12515	0.74970	0.83570
2	0.87485	0.25030	0.33570
3	0.12515	0.50060	0.83570
4	0.87485	0.49940	0.33570
(1/2,0,0)' + set click here to show and hide
5	0.62515	0.74970	0.83570
6	0.37485	0.25030	0.33570
7	0.62515	0.50060	0.83570
8	0.37485	0.49940	0.33570

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

Atom	x	y	z
1	0.74970	0.74970	0.83570
2	0.25030	0.25030	0.33570
(1/2,0,0)' + set click here to show and hide
3	0.24970	0.74970	0.83570
4	0.75030	0.25030	0.33570

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

Atom	x	y	z
1	0.20750	0.58500	0.16650
2	0.79250	0.41500	0.66650
3	0.20750	0.83000	0.16650
4	0.79250	0.17000	0.66650
(1/2,0,0)' + set click here to show and hide
5	0.70750	0.58500	0.16650
6	0.29250	0.41500	0.66650
7	0.70750	0.83000	0.16650
8	0.29250	0.17000	0.66650

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

Atom	x	y	z
1	0.58500	0.58500	0.16650
2	0.41500	0.41500	0.66650
(1/2,0,0)' + set click here to show and hide
3	0.08500	0.58500	0.16650
4	0.91500	0.41500	0.66650

Set of atoms in the unit cell related by symmetry with the atom O4_1:

Atom	x	y	z
1	0.45080	0.09840	0.26880
2	0.54920	0.90160	0.76880
3	0.45080	0.80320	0.26880
4	0.54920	0.19680	0.76880
(1/2,0,0)' + set click here to show and hide
5	0.95080	0.09840	0.26880
6	0.04920	0.90160	0.76880
7	0.95080	0.80320	0.26880
8	0.04920	0.19680	0.76880

Set of atoms in the unit cell related by symmetry with the atom O4_2:

Atom	x	y	z
1	0.09840	0.09840	0.26880
2	0.90160	0.90160	0.76880
(1/2,0,0)' + set click here to show and hide
3	0.59840	0.09840	0.26880
4	0.40160	0.90160	0.76880

[Hide]

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_y	\|M\|
Nd1_1	Nd	0.23950	0.52100	0.82910	0.666667	8	m_x,m_y,m_z	-1.42(9)	1.42
Nd1_2	Nd	0.52100	0.52100	0.82910	0.666667	4	0,m_y,0	1.42(9)	1.42
Fe1	Fe	0.16667	0.66667	0.01550	1.	4	0,m_y,0	3.14(5)	3.14
Fe2_1	Fe	0.08855	0.82290	0.66000	1.	8	m_x,m_y,m_z	-3.88(8)	3.88
Fe2_2	Fe	0.82290	0.82290	0.66000	1.	1	0,m_y,0	3.88(8).	3.88

[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: