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

[Hide]

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

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mo1	Mo	0.00000	0.00000	0.25000	16	m_x,m_y,m_z	0.82(3)	0.0	0.84(3)	1.12

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1	Ba	0.00000	0.00000	0.00000	16
P1	P	0.31470	0.00000	0.14495	32
O1_1	O	0.01210	0.13050	0.15615	32
O1_2	O	0.98790	0.13050	0.84385	32
O2	O	0.38260	0.00000	0.21960	32
O3	O	0.34310	0.00000	0.05610	32

[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 Mo1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.25000	m_x,m_y,m_z	0.82000	0.00000	0.84000
(0,1/2,1/2) + set click here to show and hide
2	0.00000	0.50000	0.75000	m_x,m_y,m_z	0.82000	0.00000	0.84000
(1/4,1/4,0) + set click here to show and hide
3	0.25000	0.25000	0.25000	m_x,m_y,m_z	0.82000	0.00000	0.84000
(1/4,3/4,1/2) + set click here to show and hide
4	0.25000	0.75000	0.75000	m_x,m_y,m_z	0.82000	0.00000	0.84000
(1/2,0,1/2) + set click here to show and hide
5	0.50000	0.00000	0.75000	m_x,m_y,m_z	0.82000	0.00000	0.84000
(1/2,1/2,0) + set click here to show and hide
6	0.50000	0.50000	0.25000	m_x,m_y,m_z	0.82000	0.00000	0.84000
(3/4,1/4,1/2) + set click here to show and hide
7	0.75000	0.25000	0.75000	m_x,m_y,m_z	0.82000	0.00000	0.84000
(3/4,3/4,0) + set click here to show and hide
8	0.75000	0.75000	0.25000	m_x,m_y,m_z	0.82000	0.00000	0.84000
(3/4,1/4,0)' + set click here to show and hide
9	0.75000	0.25000	0.25000	-m_x,-m_y,-m_z	-0.82000	0.00000	-0.84000
(3/4,3/4,1/2)' + set click here to show and hide
10	0.75000	0.75000	0.75000	-m_x,-m_y,-m_z	-0.82000	0.00000	-0.84000
(0,1/2,0)' + set click here to show and hide
11	0.00000	0.50000	0.25000	-m_x,-m_y,-m_z	-0.82000	0.00000	-0.84000
(0,0,1/2)' + set click here to show and hide
12	0.00000	0.00000	0.75000	-m_x,-m_y,-m_z	-0.82000	0.00000	-0.84000
(1/4,1/4,1/2)' + set click here to show and hide
13	0.25000	0.25000	0.75000	-m_x,-m_y,-m_z	-0.82000	0.00000	-0.84000
(1/4,3/4,0)' + set click here to show and hide
14	0.25000	0.75000	0.25000	-m_x,-m_y,-m_z	-0.82000	0.00000	-0.84000
(1/2,1/2,1/2)' + set click here to show and hide
15	0.50000	0.50000	0.75000	-m_x,-m_y,-m_z	-0.82000	0.00000	-0.84000
(1/2,0,0)' + set click here to show and hide
16	0.50000	0.00000	0.25000	-m_x,-m_y,-m_z	-0.82000	0.00000	-0.84000

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

Set of atoms in the unit cell related by symmetry with the atom P1:

Atom	x	y	z
1	0.31470	0.00000	0.14495
2	0.93530	0.75000	0.85505
(0,1/2,1/2) + set click here to show and hide
3	0.31470	0.50000	0.64495
4	0.93530	0.25000	0.35505
(1/4,1/4,0) + set click here to show and hide
5	0.56470	0.25000	0.14495
6	0.18530	0.00000	0.85505
(1/4,3/4,1/2) + set click here to show and hide
7	0.56470	0.75000	0.64495
8	0.18530	0.50000	0.35505
(1/2,0,1/2) + set click here to show and hide
9	0.81470	0.00000	0.64495
10	0.43530	0.75000	0.35505
(1/2,1/2,0) + set click here to show and hide
11	0.81470	0.50000	0.14495
12	0.43530	0.25000	0.85505
(3/4,1/4,1/2) + set click here to show and hide
13	0.06470	0.25000	0.64495
14	0.68530	0.00000	0.35505
(3/4,3/4,0) + set click here to show and hide
15	0.06470	0.75000	0.14495
16	0.68530	0.50000	0.85505
(3/4,1/4,0)' + set click here to show and hide
17	0.06470	0.25000	0.14495
18	0.68530	0.00000	0.85505
(3/4,3/4,1/2)' + set click here to show and hide
19	0.06470	0.75000	0.64495
20	0.68530	0.50000	0.35505
(0,1/2,0)' + set click here to show and hide
21	0.31470	0.50000	0.14495
22	0.93530	0.25000	0.85505
(0,0,1/2)' + set click here to show and hide
23	0.31470	0.00000	0.64495
24	0.93530	0.75000	0.35505
(1/4,1/4,1/2)' + set click here to show and hide
25	0.56470	0.25000	0.64495
26	0.18530	0.00000	0.35505
(1/4,3/4,0)' + set click here to show and hide
27	0.56470	0.75000	0.14495
28	0.18530	0.50000	0.85505
(1/2,1/2,1/2)' + set click here to show and hide
29	0.81470	0.50000	0.64495
30	0.43530	0.25000	0.35505
(1/2,0,0)' + set click here to show and hide
31	0.81470	0.00000	0.14495
32	0.43530	0.75000	0.85505

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

Atom	x	y	z
1	0.01210	0.13050	0.15615
2	0.23790	0.61950	0.84385
(0,1/2,1/2) + set click here to show and hide
3	0.01210	0.63050	0.65615
4	0.23790	0.11950	0.34385
(1/4,1/4,0) + set click here to show and hide
5	0.26210	0.38050	0.15615
6	0.48790	0.86950	0.84385
(1/4,3/4,1/2) + set click here to show and hide
7	0.26210	0.88050	0.65615
8	0.48790	0.36950	0.34385
(1/2,0,1/2) + set click here to show and hide
9	0.51210	0.13050	0.65615
10	0.73790	0.61950	0.34385
(1/2,1/2,0) + set click here to show and hide
11	0.51210	0.63050	0.15615
12	0.73790	0.11950	0.84385
(3/4,1/4,1/2) + set click here to show and hide
13	0.76210	0.38050	0.65615
14	0.98790	0.86950	0.34385
(3/4,3/4,0) + set click here to show and hide
15	0.76210	0.88050	0.15615
16	0.98790	0.36950	0.84385
(3/4,1/4,0)' + set click here to show and hide
17	0.76210	0.38050	0.15615
18	0.98790	0.86950	0.84385
(3/4,3/4,1/2)' + set click here to show and hide
19	0.76210	0.88050	0.65615
20	0.98790	0.36950	0.34385
(0,1/2,0)' + set click here to show and hide
21	0.01210	0.63050	0.15615
22	0.23790	0.11950	0.84385
(0,0,1/2)' + set click here to show and hide
23	0.01210	0.13050	0.65615
24	0.23790	0.61950	0.34385
(1/4,1/4,1/2)' + set click here to show and hide
25	0.26210	0.38050	0.65615
26	0.48790	0.86950	0.34385
(1/4,3/4,0)' + set click here to show and hide
27	0.26210	0.88050	0.15615
28	0.48790	0.36950	0.84385
(1/2,1/2,1/2)' + set click here to show and hide
29	0.51210	0.63050	0.65615
30	0.73790	0.11950	0.34385
(1/2,0,0)' + set click here to show and hide
31	0.51210	0.13050	0.15615
32	0.73790	0.61950	0.84385

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

Atom	x	y	z
1	0.98790	0.13050	0.84385
2	0.26210	0.61950	0.15615
(0,1/2,1/2) + set click here to show and hide
3	0.98790	0.63050	0.34385
4	0.26210	0.11950	0.65615
(1/4,1/4,0) + set click here to show and hide
5	0.23790	0.38050	0.84385
6	0.51210	0.86950	0.15615
(1/4,3/4,1/2) + set click here to show and hide
7	0.23790	0.88050	0.34385
8	0.51210	0.36950	0.65615
(1/2,0,1/2) + set click here to show and hide
9	0.48790	0.13050	0.34385
10	0.76210	0.61950	0.65615
(1/2,1/2,0) + set click here to show and hide
11	0.48790	0.63050	0.84385
12	0.76210	0.11950	0.15615
(3/4,1/4,1/2) + set click here to show and hide
13	0.73790	0.38050	0.34385
14	0.01210	0.86950	0.65615
(3/4,3/4,0) + set click here to show and hide
15	0.73790	0.88050	0.84385
16	0.01210	0.36950	0.15615
(3/4,1/4,0)' + set click here to show and hide
17	0.73790	0.38050	0.84385
18	0.01210	0.86950	0.15615
(3/4,3/4,1/2)' + set click here to show and hide
19	0.73790	0.88050	0.34385
20	0.01210	0.36950	0.65615
(0,1/2,0)' + set click here to show and hide
21	0.98790	0.63050	0.84385
22	0.26210	0.11950	0.15615
(0,0,1/2)' + set click here to show and hide
23	0.98790	0.13050	0.34385
24	0.26210	0.61950	0.65615
(1/4,1/4,1/2)' + set click here to show and hide
25	0.23790	0.38050	0.34385
26	0.51210	0.86950	0.65615
(1/4,3/4,0)' + set click here to show and hide
27	0.23790	0.88050	0.84385
28	0.51210	0.36950	0.15615
(1/2,1/2,1/2)' + set click here to show and hide
29	0.48790	0.63050	0.34385
30	0.76210	0.11950	0.65615
(1/2,0,0)' + set click here to show and hide
31	0.48790	0.13050	0.84385
32	0.76210	0.61950	0.15615

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

Atom	x	y	z
1	0.38260	0.00000	0.21960
2	0.86740	0.75000	0.78040
(0,1/2,1/2) + set click here to show and hide
3	0.38260	0.50000	0.71960
4	0.86740	0.25000	0.28040
(1/4,1/4,0) + set click here to show and hide
5	0.63260	0.25000	0.21960
6	0.11740	0.00000	0.78040
(1/4,3/4,1/2) + set click here to show and hide
7	0.63260	0.75000	0.71960
8	0.11740	0.50000	0.28040
(1/2,0,1/2) + set click here to show and hide
9	0.88260	0.00000	0.71960
10	0.36740	0.75000	0.28040
(1/2,1/2,0) + set click here to show and hide
11	0.88260	0.50000	0.21960
12	0.36740	0.25000	0.78040
(3/4,1/4,1/2) + set click here to show and hide
13	0.13260	0.25000	0.71960
14	0.61740	0.00000	0.28040
(3/4,3/4,0) + set click here to show and hide
15	0.13260	0.75000	0.21960
16	0.61740	0.50000	0.78040
(3/4,1/4,0)' + set click here to show and hide
17	0.13260	0.25000	0.21960
18	0.61740	0.00000	0.78040
(3/4,3/4,1/2)' + set click here to show and hide
19	0.13260	0.75000	0.71960
20	0.61740	0.50000	0.28040
(0,1/2,0)' + set click here to show and hide
21	0.38260	0.50000	0.21960
22	0.86740	0.25000	0.78040
(0,0,1/2)' + set click here to show and hide
23	0.38260	0.00000	0.71960
24	0.86740	0.75000	0.28040
(1/4,1/4,1/2)' + set click here to show and hide
25	0.63260	0.25000	0.71960
26	0.11740	0.00000	0.28040
(1/4,3/4,0)' + set click here to show and hide
27	0.63260	0.75000	0.21960
28	0.11740	0.50000	0.78040
(1/2,1/2,1/2)' + set click here to show and hide
29	0.88260	0.50000	0.71960
30	0.36740	0.25000	0.28040
(1/2,0,0)' + set click here to show and hide
31	0.88260	0.00000	0.21960
32	0.36740	0.75000	0.78040

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

Atom	x	y	z
1	0.34310	0.00000	0.05610
2	0.90690	0.75000	0.94390
(0,1/2,1/2) + set click here to show and hide
3	0.34310	0.50000	0.55610
4	0.90690	0.25000	0.44390
(1/4,1/4,0) + set click here to show and hide
5	0.59310	0.25000	0.05610
6	0.15690	0.00000	0.94390
(1/4,3/4,1/2) + set click here to show and hide
7	0.59310	0.75000	0.55610
8	0.15690	0.50000	0.44390
(1/2,0,1/2) + set click here to show and hide
9	0.84310	0.00000	0.55610
10	0.40690	0.75000	0.44390
(1/2,1/2,0) + set click here to show and hide
11	0.84310	0.50000	0.05610
12	0.40690	0.25000	0.94390
(3/4,1/4,1/2) + set click here to show and hide
13	0.09310	0.25000	0.55610
14	0.65690	0.00000	0.44390
(3/4,3/4,0) + set click here to show and hide
15	0.09310	0.75000	0.05610
16	0.65690	0.50000	0.94390
(3/4,1/4,0)' + set click here to show and hide
17	0.09310	0.25000	0.05610
18	0.65690	0.00000	0.94390
(3/4,3/4,1/2)' + set click here to show and hide
19	0.09310	0.75000	0.55610
20	0.65690	0.50000	0.44390
(0,1/2,0)' + set click here to show and hide
21	0.34310	0.50000	0.05610
22	0.90690	0.25000	0.94390
(0,0,1/2)' + set click here to show and hide
23	0.34310	0.00000	0.55610
24	0.90690	0.75000	0.44390
(1/4,1/4,1/2)' + set click here to show and hide
25	0.59310	0.25000	0.55610
26	0.15690	0.00000	0.44390
(1/4,3/4,0)' + set click here to show and hide
27	0.59310	0.75000	0.05610
28	0.15690	0.50000	0.94390
(1/2,1/2,1/2)' + set click here to show and hide
29	0.84310	0.50000	0.55610
30	0.40690	0.25000	0.44390
(1/2,0,0)' + set click here to show and hide
31	0.84310	0.00000	0.05610
32	0.40690	0.75000	0.94390

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mo1	Mo	0.00000	0.00000	0.25000	16	m_x,m_y,m_z	0.82(3)	0.0	0.84(3)	1.12

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

label	dim. small irrep	dim. full irrep	action	number of modes
mL1-	1	2	primary	3

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

BaMoP₂O₈ (#1.229)

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

BaMoP2O8 (#1.229)

BaMoP₂O₈ (#1.229)