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	{ 2₀₀₁ \| 0 0 1/2 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x,y,-z+1/2,+1	{ m₀₀₁ \| 0 0 1/2 }
(1/4,3/4,0) + set click here to show and hide
5	x+1/4,y+3/4,z,+1	{ 1 \| 1/4 3/4 0 }
6	-x+1/4,-y+3/4,z+1/2,+1	{ 2₀₀₁ \| 1/4 3/4 1/2 }
7	-x+1/4,-y+3/4,-z,+1	{ -1 \| 1/4 3/4 0 }
8	x+1/4,y+3/4,-z+1/2,+1	{ m₀₀₁ \| 1/4 3/4 1/2 }
(1/2,1/2,0) + set click here to show and hide
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	{ 2₀₀₁ \| 1/2 1/2 1/2 }
11	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
12	x+1/2,y+1/2,-z+1/2,+1	{ m₀₀₁ \| 1/2 1/2 1/2 }
(3/4,1/4,0) + set click here to show and hide
13	x+3/4,y+1/4,z,+1	{ 1 \| 3/4 1/4 0 }
14	-x+3/4,-y+1/4,z+1/2,+1	{ 2₀₀₁ \| 3/4 1/4 1/2 }
15	-x+3/4,-y+1/4,-z,+1	{ -1 \| 3/4 1/4 0 }
16	x+3/4,y+1/4,-z+1/2,+1	{ m₀₀₁ \| 3/4 1/4 1/2 }
(1/4,1/4,0)' + set click here to show and hide
17	x+1/4,y+1/4,z,-1	{ 1' \| 1/4 1/4 0 }
18	-x+1/4,-y+1/4,z+1/2,-1	{ 2'₀₀₁ \| 1/4 1/4 1/2 }
19	-x+1/4,-y+1/4,-z,-1	{ -1' \| 1/4 1/4 0 }
20	x+1/4,y+1/4,-z+1/2,-1	{ m'₀₀₁ \| 1/4 1/4 1/2 }
(1/2,0,0)' + set click here to show and hide
21	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
22	-x+1/2,-y,z+1/2,-1	{ 2'₀₀₁ \| 1/2 0 1/2 }
23	-x+1/2,-y,-z,-1	{ -1' \| 1/2 0 0 }
24	x+1/2,y,-z+1/2,-1	{ m'₀₀₁ \| 1/2 0 1/2 }
(3/4,3/4,0)' + set click here to show and hide
25	x+3/4,y+3/4,z,-1	{ 1' \| 3/4 3/4 0 }
26	-x+3/4,-y+3/4,z+1/2,-1	{ 2'₀₀₁ \| 3/4 3/4 1/2 }
27	-x+3/4,-y+3/4,-z,-1	{ -1' \| 3/4 3/4 0 }
28	x+3/4,y+3/4,-z+1/2,-1	{ m'₀₀₁ \| 3/4 3/4 1/2 }
(0,1/2,0)' + set click here to show and hide
29	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
30	-x,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 0 1/2 1/2 }
31	-x,-y+1/2,-z,-1	{ -1' \| 0 1/2 0 }
32	x,y+1/2,-z+1/2,-1	{ m'₀₀₁ \| 0 1/2 1/2 }

[Hide]

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,z,+1	2₀₀₁
3	-x,-y,-z,+1	-1
4	x,y,-z,+1	m₀₀₁
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,-y,z,-1	2'₀₀₁
7	-x,-y,-z,-1	-1'
8	x,y,-z,-1	m'₀₀₁

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Os1	Os	0.00000	0.00000	0.00000	1.	16	m_x,m_y,m_z	1.04	0.6	0.0	1.20

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
La1	La	0.00000	0.25000	0.00000	0.9333	16
Ca2	Ca	0.00000	0.25000	0.00000	0.0667	16
La3_1	La	0.13870	0.15580	0.25000	0.9333	16
La3_2	La	0.86130	0.15580	0.25000	0.9333	16
Ca4_1	Ca	0.13870	0.15580	0.25000	0.0667	16
Ca4_2	Ca	0.86130	0.15580	0.25000	0.0667	16
O1	O	0.00000	0.46175	0.25000	1.	16
O2_1	O	0.06180	0.09100	0.04030	1.	32
O2_2	O	0.93820	0.09100	0.45970	1.	32
O3_1	O	0.18475	0.01550	0.25000	1.	16
O3_2	O	0.81525	0.01550	0.25000	1.	16

[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 Os1:

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	1.04000	0.60000	0.00000
2	0.00000	0.00000	0.50000	-m_x,-m_y,m_z	-1.04000	-0.60000	0.00000
(1/4,3/4,0) + set click here to show and hide
3	0.25000	0.75000	0.00000	m_x,m_y,m_z	1.04000	0.60000	0.00000
4	0.25000	0.75000	0.50000	-m_x,-m_y,m_z	-1.04000	-0.60000	0.00000
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.50000	0.00000	m_x,m_y,m_z	1.04000	0.60000	0.00000
6	0.50000	0.50000	0.50000	-m_x,-m_y,m_z	-1.04000	-0.60000	0.00000
(3/4,1/4,0) + set click here to show and hide
7	0.75000	0.25000	0.00000	m_x,m_y,m_z	1.04000	0.60000	0.00000
8	0.75000	0.25000	0.50000	-m_x,-m_y,m_z	-1.04000	-0.60000	0.00000
(1/4,1/4,0)' + set click here to show and hide
9	0.25000	0.25000	0.00000	-m_x,-m_y,-m_z	-1.04000	-0.60000	0.00000
10	0.25000	0.25000	0.50000	m_x,m_y,-m_z	1.04000	0.60000	0.00000
(1/2,0,0)' + set click here to show and hide
11	0.50000	0.00000	0.00000	-m_x,-m_y,-m_z	-1.04000	-0.60000	0.00000
12	0.50000	0.00000	0.50000	m_x,m_y,-m_z	1.04000	0.60000	0.00000
(3/4,3/4,0)' + set click here to show and hide
13	0.75000	0.75000	0.00000	-m_x,-m_y,-m_z	-1.04000	-0.60000	0.00000
14	0.75000	0.75000	0.50000	m_x,m_y,-m_z	1.04000	0.60000	0.00000
(0,1/2,0)' + set click here to show and hide
15	0.00000	0.50000	0.00000	-m_x,-m_y,-m_z	-1.04000	-0.60000	0.00000
16	0.00000	0.50000	0.50000	m_x,m_y,-m_z	1.04000	0.60000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom La1:

Atom	x	y	z
1	0.00000	0.25000	0.00000
2	0.00000	0.75000	0.50000
(1/4,3/4,0) + set click here to show and hide
3	0.25000	0.00000	0.00000
4	0.25000	0.50000	0.50000
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.75000	0.00000
6	0.50000	0.25000	0.50000
(3/4,1/4,0) + set click here to show and hide
7	0.75000	0.50000	0.00000
8	0.75000	0.00000	0.50000
(1/4,1/4,0)' + set click here to show and hide
9	0.25000	0.50000	0.00000
10	0.25000	0.00000	0.50000
(1/2,0,0)' + set click here to show and hide
11	0.50000	0.25000	0.00000
12	0.50000	0.75000	0.50000
(3/4,3/4,0)' + set click here to show and hide
13	0.75000	0.00000	0.00000
14	0.75000	0.50000	0.50000
(0,1/2,0)' + set click here to show and hide
15	0.00000	0.75000	0.00000
16	0.00000	0.25000	0.50000

Set of atoms in the unit cell related by symmetry with the atom Ca2:

Atom	x	y	z
1	0.00000	0.25000	0.00000
2	0.00000	0.75000	0.50000
(1/4,3/4,0) + set click here to show and hide
3	0.25000	0.00000	0.00000
4	0.25000	0.50000	0.50000
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.75000	0.00000
6	0.50000	0.25000	0.50000
(3/4,1/4,0) + set click here to show and hide
7	0.75000	0.50000	0.00000
8	0.75000	0.00000	0.50000
(1/4,1/4,0)' + set click here to show and hide
9	0.25000	0.50000	0.00000
10	0.25000	0.00000	0.50000
(1/2,0,0)' + set click here to show and hide
11	0.50000	0.25000	0.00000
12	0.50000	0.75000	0.50000
(3/4,3/4,0)' + set click here to show and hide
13	0.75000	0.00000	0.00000
14	0.75000	0.50000	0.50000
(0,1/2,0)' + set click here to show and hide
15	0.00000	0.75000	0.00000
16	0.00000	0.25000	0.50000

Set of atoms in the unit cell related by symmetry with the atom La3_1:

Atom	x	y	z
1	0.13870	0.15580	0.25000
2	0.86130	0.84420	0.75000
(1/4,3/4,0) + set click here to show and hide
3	0.38870	0.90580	0.25000
4	0.11130	0.59420	0.75000
(1/2,1/2,0) + set click here to show and hide
5	0.63870	0.65580	0.25000
6	0.36130	0.34420	0.75000
(3/4,1/4,0) + set click here to show and hide
7	0.88870	0.40580	0.25000
8	0.61130	0.09420	0.75000
(1/4,1/4,0)' + set click here to show and hide
9	0.38870	0.40580	0.25000
10	0.11130	0.09420	0.75000
(1/2,0,0)' + set click here to show and hide
11	0.63870	0.15580	0.25000
12	0.36130	0.84420	0.75000
(3/4,3/4,0)' + set click here to show and hide
13	0.88870	0.90580	0.25000
14	0.61130	0.59420	0.75000
(0,1/2,0)' + set click here to show and hide
15	0.13870	0.65580	0.25000
16	0.86130	0.34420	0.75000

Set of atoms in the unit cell related by symmetry with the atom La3_2:

Atom	x	y	z
1	0.86130	0.15580	0.25000
2	0.13870	0.84420	0.75000
(1/4,3/4,0) + set click here to show and hide
3	0.11130	0.90580	0.25000
4	0.38870	0.59420	0.75000
(1/2,1/2,0) + set click here to show and hide
5	0.36130	0.65580	0.25000
6	0.63870	0.34420	0.75000
(3/4,1/4,0) + set click here to show and hide
7	0.61130	0.40580	0.25000
8	0.88870	0.09420	0.75000
(1/4,1/4,0)' + set click here to show and hide
9	0.11130	0.40580	0.25000
10	0.38870	0.09420	0.75000
(1/2,0,0)' + set click here to show and hide
11	0.36130	0.15580	0.25000
12	0.63870	0.84420	0.75000
(3/4,3/4,0)' + set click here to show and hide
13	0.61130	0.90580	0.25000
14	0.88870	0.59420	0.75000
(0,1/2,0)' + set click here to show and hide
15	0.86130	0.65580	0.25000
16	0.13870	0.34420	0.75000

Set of atoms in the unit cell related by symmetry with the atom Ca4_1:

Atom	x	y	z
1	0.13870	0.15580	0.25000
2	0.86130	0.84420	0.75000
(1/4,3/4,0) + set click here to show and hide
3	0.38870	0.90580	0.25000
4	0.11130	0.59420	0.75000
(1/2,1/2,0) + set click here to show and hide
5	0.63870	0.65580	0.25000
6	0.36130	0.34420	0.75000
(3/4,1/4,0) + set click here to show and hide
7	0.88870	0.40580	0.25000
8	0.61130	0.09420	0.75000
(1/4,1/4,0)' + set click here to show and hide
9	0.38870	0.40580	0.25000
10	0.11130	0.09420	0.75000
(1/2,0,0)' + set click here to show and hide
11	0.63870	0.15580	0.25000
12	0.36130	0.84420	0.75000
(3/4,3/4,0)' + set click here to show and hide
13	0.88870	0.90580	0.25000
14	0.61130	0.59420	0.75000
(0,1/2,0)' + set click here to show and hide
15	0.13870	0.65580	0.25000
16	0.86130	0.34420	0.75000

Set of atoms in the unit cell related by symmetry with the atom Ca4_2:

Atom	x	y	z
1	0.86130	0.15580	0.25000
2	0.13870	0.84420	0.75000
(1/4,3/4,0) + set click here to show and hide
3	0.11130	0.90580	0.25000
4	0.38870	0.59420	0.75000
(1/2,1/2,0) + set click here to show and hide
5	0.36130	0.65580	0.25000
6	0.63870	0.34420	0.75000
(3/4,1/4,0) + set click here to show and hide
7	0.61130	0.40580	0.25000
8	0.88870	0.09420	0.75000
(1/4,1/4,0)' + set click here to show and hide
9	0.11130	0.40580	0.25000
10	0.38870	0.09420	0.75000
(1/2,0,0)' + set click here to show and hide
11	0.36130	0.15580	0.25000
12	0.63870	0.84420	0.75000
(3/4,3/4,0)' + set click here to show and hide
13	0.61130	0.90580	0.25000
14	0.88870	0.59420	0.75000
(0,1/2,0)' + set click here to show and hide
15	0.86130	0.65580	0.25000
16	0.13870	0.34420	0.75000

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

Atom	x	y	z
1	0.00000	0.46175	0.25000
2	0.00000	0.53825	0.75000
(1/4,3/4,0) + set click here to show and hide
3	0.25000	0.21175	0.25000
4	0.25000	0.28825	0.75000
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.96175	0.25000
6	0.50000	0.03825	0.75000
(3/4,1/4,0) + set click here to show and hide
7	0.75000	0.71175	0.25000
8	0.75000	0.78825	0.75000
(1/4,1/4,0)' + set click here to show and hide
9	0.25000	0.71175	0.25000
10	0.25000	0.78825	0.75000
(1/2,0,0)' + set click here to show and hide
11	0.50000	0.46175	0.25000
12	0.50000	0.53825	0.75000
(3/4,3/4,0)' + set click here to show and hide
13	0.75000	0.21175	0.25000
14	0.75000	0.28825	0.75000
(0,1/2,0)' + set click here to show and hide
15	0.00000	0.96175	0.25000
16	0.00000	0.03825	0.75000

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

Atom	x	y	z
1	0.06180	0.09100	0.04030
2	0.93820	0.90900	0.54030
3	0.93820	0.90900	0.95970
4	0.06180	0.09100	0.45970
(1/4,3/4,0) + set click here to show and hide
5	0.31180	0.84100	0.04030
6	0.18820	0.65900	0.54030
7	0.18820	0.65900	0.95970
8	0.31180	0.84100	0.45970
(1/2,1/2,0) + set click here to show and hide
9	0.56180	0.59100	0.04030
10	0.43820	0.40900	0.54030
11	0.43820	0.40900	0.95970
12	0.56180	0.59100	0.45970
(3/4,1/4,0) + set click here to show and hide
13	0.81180	0.34100	0.04030
14	0.68820	0.15900	0.54030
15	0.68820	0.15900	0.95970
16	0.81180	0.34100	0.45970
(1/4,1/4,0)' + set click here to show and hide
17	0.31180	0.34100	0.04030
18	0.18820	0.15900	0.54030
19	0.18820	0.15900	0.95970
20	0.31180	0.34100	0.45970
(1/2,0,0)' + set click here to show and hide
21	0.56180	0.09100	0.04030
22	0.43820	0.90900	0.54030
23	0.43820	0.90900	0.95970
24	0.56180	0.09100	0.45970
(3/4,3/4,0)' + set click here to show and hide
25	0.81180	0.84100	0.04030
26	0.68820	0.65900	0.54030
27	0.68820	0.65900	0.95970
28	0.81180	0.84100	0.45970
(0,1/2,0)' + set click here to show and hide
29	0.06180	0.59100	0.04030
30	0.93820	0.40900	0.54030
31	0.93820	0.40900	0.95970
32	0.06180	0.59100	0.45970

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

Atom	x	y	z
1	0.93820	0.09100	0.45970
2	0.06180	0.90900	0.95970
3	0.06180	0.90900	0.54030
4	0.93820	0.09100	0.04030
(1/4,3/4,0) + set click here to show and hide
5	0.18820	0.84100	0.45970
6	0.31180	0.65900	0.95970
7	0.31180	0.65900	0.54030
8	0.18820	0.84100	0.04030
(1/2,1/2,0) + set click here to show and hide
9	0.43820	0.59100	0.45970
10	0.56180	0.40900	0.95970
11	0.56180	0.40900	0.54030
12	0.43820	0.59100	0.04030
(3/4,1/4,0) + set click here to show and hide
13	0.68820	0.34100	0.45970
14	0.81180	0.15900	0.95970
15	0.81180	0.15900	0.54030
16	0.68820	0.34100	0.04030
(1/4,1/4,0)' + set click here to show and hide
17	0.18820	0.34100	0.45970
18	0.31180	0.15900	0.95970
19	0.31180	0.15900	0.54030
20	0.18820	0.34100	0.04030
(1/2,0,0)' + set click here to show and hide
21	0.43820	0.09100	0.45970
22	0.56180	0.90900	0.95970
23	0.56180	0.90900	0.54030
24	0.43820	0.09100	0.04030
(3/4,3/4,0)' + set click here to show and hide
25	0.68820	0.84100	0.45970
26	0.81180	0.65900	0.95970
27	0.81180	0.65900	0.54030
28	0.68820	0.84100	0.04030
(0,1/2,0)' + set click here to show and hide
29	0.93820	0.59100	0.45970
30	0.06180	0.40900	0.95970
31	0.06180	0.40900	0.54030
32	0.93820	0.59100	0.04030

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

Atom	x	y	z
1	0.18475	0.01550	0.25000
2	0.81525	0.98450	0.75000
(1/4,3/4,0) + set click here to show and hide
3	0.43475	0.76550	0.25000
4	0.06525	0.73450	0.75000
(1/2,1/2,0) + set click here to show and hide
5	0.68475	0.51550	0.25000
6	0.31525	0.48450	0.75000
(3/4,1/4,0) + set click here to show and hide
7	0.93475	0.26550	0.25000
8	0.56525	0.23450	0.75000
(1/4,1/4,0)' + set click here to show and hide
9	0.43475	0.26550	0.25000
10	0.06525	0.23450	0.75000
(1/2,0,0)' + set click here to show and hide
11	0.68475	0.01550	0.25000
12	0.31525	0.98450	0.75000
(3/4,3/4,0)' + set click here to show and hide
13	0.93475	0.76550	0.25000
14	0.56525	0.73450	0.75000
(0,1/2,0)' + set click here to show and hide
15	0.18475	0.51550	0.25000
16	0.81525	0.48450	0.75000

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

Atom	x	y	z
1	0.81525	0.01550	0.25000
2	0.18475	0.98450	0.75000
(1/4,3/4,0) + set click here to show and hide
3	0.06525	0.76550	0.25000
4	0.43475	0.73450	0.75000
(1/2,1/2,0) + set click here to show and hide
5	0.31525	0.51550	0.25000
6	0.68475	0.48450	0.75000
(3/4,1/4,0) + set click here to show and hide
7	0.56525	0.26550	0.25000
8	0.93475	0.23450	0.75000
(1/4,1/4,0)' + set click here to show and hide
9	0.06525	0.26550	0.25000
10	0.43475	0.23450	0.75000
(1/2,0,0)' + set click here to show and hide
11	0.31525	0.01550	0.25000
12	0.68475	0.98450	0.75000
(3/4,3/4,0)' + set click here to show and hide
13	0.56525	0.76550	0.25000
14	0.93475	0.73450	0.75000
(0,1/2,0)' + set click here to show and hide
15	0.81525	0.51550	0.25000
16	0.18475	0.48450	0.75000

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Os1	Os	0.00000	0.00000	0.00000	16	m_x,m_y,m_z	1.04	0.6	0.0	1.20

[Show all magnetic atoms in unit cell and their moment relations]

label	dim. small irrep	dim. full irrep	action	number of modes
mS1+	1	2	primary	3

MAGNDATA: A Collection of magnetic structures with portable cif-type files

La_2.8Ca_0.2OsO₇ (#1.572)

MAGNDATA: A Collection of magnetic structures with portable cif-type files

La2.8Ca0.2OsO7 (#1.572)

La_2.8Ca_0.2OsO₇ (#1.572)