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+1/2,-z+1/4,+1	{ 2₀₁₀ \| 1/4 1/2 1/4 }
3	-x+1/2,-y,-z,+1	{ -1 \| 1/2 0 0 }
4	x+3/4,-y+1/2,z+1/4,+1	{ m₀₁₀ \| 3/4 1/2 1/4 }
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5	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
6	-x+3/4,y+1/2,-z+3/4,+1	{ 2₀₁₀ \| 3/4 1/2 3/4 }
7	-x,-y,-z+1/2,+1	{ -1 \| 0 0 1/2 }
8	x+1/4,-y+1/2,z+3/4,+1	{ m₀₁₀ \| 1/4 1/2 3/4 }
(0,0,1/2)' + set click here to show and hide
9	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
10	-x+1/4,y+1/2,-z+3/4,-1	{ 2'₀₁₀ \| 1/4 1/2 3/4 }
11	-x+1/2,-y,-z+1/2,-1	{ -1' \| 1/2 0 1/2 }
12	x+3/4,-y+1/2,z+3/4,-1	{ m'₀₁₀ \| 3/4 1/2 3/4 }
(1/2,0,0)' + set click here to show and hide
13	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
14	-x+3/4,y+1/2,-z+1/4,-1	{ 2'₀₁₀ \| 3/4 1/2 1/4 }
15	-x,-y,-z,-1	{ -1' \| 0 }
16	x+1/4,-y+1/2,z+1/4,-1	{ m'₀₁₀ \| 1/4 1/2 1/4 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
3	-x,-y,-z,+1	-1
4	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,y,-z,-1	2'₀₁₀
7	-x,-y,-z,-1	-1'
8	x,-y,z,-1	m'₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1	Ni	0.40685	0.08050	0.18510	16	m_x,m_y,m_z	-0.54(3)	0.33(4)	1.89(3)	2.14

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Bi1	Bi	0.09569	0.09956	0.05482	16
P1	P	0.01085	0.34750	0.10970	16
O1	O	0.16925	0.91720	0.02365	16
O2	O	0.49265	0.22210	0.15690	16
O3	O	0.41470	0.41760	0.05655	16
O4	O	0.24205	0.47580	0.12250	16
O5	O	0.30530	0.17180	0.24280	16

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 Ni1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.40685	0.08050	0.18510	m_x,m_y,m_z	-0.54000	0.33000	1.89000
2	0.84315	0.58050	0.06490	-m_x,m_y,-m_z	0.54000	0.33000	-1.89000
3	0.09315	0.91950	0.81490	m_x,m_y,m_z	-0.54000	0.33000	1.89000
4	0.15685	0.41950	0.43510	-m_x,m_y,-m_z	0.54000	0.33000	-1.89000
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5	0.90685	0.08050	0.68510	m_x,m_y,m_z	-0.54000	0.33000	1.89000
6	0.34315	0.58050	0.56490	-m_x,m_y,-m_z	0.54000	0.33000	-1.89000
7	0.59315	0.91950	0.31490	m_x,m_y,m_z	-0.54000	0.33000	1.89000
8	0.65685	0.41950	0.93510	-m_x,m_y,-m_z	0.54000	0.33000	-1.89000
(0,0,1/2)' + set click here to show and hide
9	0.40685	0.08050	0.68510	-m_x,-m_y,-m_z	0.54000	-0.33000	-1.89000
10	0.84315	0.58050	0.56490	m_x,-m_y,m_z	-0.54000	-0.33000	1.89000
11	0.09315	0.91950	0.31490	-m_x,-m_y,-m_z	0.54000	-0.33000	-1.89000
12	0.15685	0.41950	0.93510	m_x,-m_y,m_z	-0.54000	-0.33000	1.89000
(1/2,0,0)' + set click here to show and hide
13	0.90685	0.08050	0.18510	-m_x,-m_y,-m_z	0.54000	-0.33000	-1.89000
14	0.34315	0.58050	0.06490	m_x,-m_y,m_z	-0.54000	-0.33000	1.89000
15	0.59315	0.91950	0.81490	-m_x,-m_y,-m_z	0.54000	-0.33000	-1.89000
16	0.65685	0.41950	0.43510	m_x,-m_y,m_z	-0.54000	-0.33000	1.89000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Bi1:

Atom	x	y	z
1	0.09569	0.09956	0.05482
2	0.15431	0.59956	0.19518
3	0.40431	0.90044	0.94518
4	0.84569	0.40044	0.30482
(1/2,0,1/2) + set click here to show and hide
5	0.59569	0.09956	0.55482
6	0.65431	0.59956	0.69518
7	0.90431	0.90044	0.44518
8	0.34569	0.40044	0.80482
(0,0,1/2)' + set click here to show and hide
9	0.09569	0.09956	0.55482
10	0.15431	0.59956	0.69518
11	0.40431	0.90044	0.44518
12	0.84569	0.40044	0.80482
(1/2,0,0)' + set click here to show and hide
13	0.59569	0.09956	0.05482
14	0.65431	0.59956	0.19518
15	0.90431	0.90044	0.94518
16	0.34569	0.40044	0.30482

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

Atom	x	y	z
1	0.01085	0.34750	0.10970
2	0.23915	0.84750	0.14030
3	0.48915	0.65250	0.89030
4	0.76085	0.15250	0.35970
(1/2,0,1/2) + set click here to show and hide
5	0.51085	0.34750	0.60970
6	0.73915	0.84750	0.64030
7	0.98915	0.65250	0.39030
8	0.26085	0.15250	0.85970
(0,0,1/2)' + set click here to show and hide
9	0.01085	0.34750	0.60970
10	0.23915	0.84750	0.64030
11	0.48915	0.65250	0.39030
12	0.76085	0.15250	0.85970
(1/2,0,0)' + set click here to show and hide
13	0.51085	0.34750	0.10970
14	0.73915	0.84750	0.14030
15	0.98915	0.65250	0.89030
16	0.26085	0.15250	0.35970

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

Atom	x	y	z
1	0.16925	0.91720	0.02365
2	0.08075	0.41720	0.22635
3	0.33075	0.08280	0.97635
4	0.91925	0.58280	0.27365
(1/2,0,1/2) + set click here to show and hide
5	0.66925	0.91720	0.52365
6	0.58075	0.41720	0.72635
7	0.83075	0.08280	0.47635
8	0.41925	0.58280	0.77365
(0,0,1/2)' + set click here to show and hide
9	0.16925	0.91720	0.52365
10	0.08075	0.41720	0.72635
11	0.33075	0.08280	0.47635
12	0.91925	0.58280	0.77365
(1/2,0,0)' + set click here to show and hide
13	0.66925	0.91720	0.02365
14	0.58075	0.41720	0.22635
15	0.83075	0.08280	0.97635
16	0.41925	0.58280	0.27365

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

Atom	x	y	z
1	0.49265	0.22210	0.15690
2	0.75735	0.72210	0.09310
3	0.00735	0.77790	0.84310
4	0.24265	0.27790	0.40690
(1/2,0,1/2) + set click here to show and hide
5	0.99265	0.22210	0.65690
6	0.25735	0.72210	0.59310
7	0.50735	0.77790	0.34310
8	0.74265	0.27790	0.90690
(0,0,1/2)' + set click here to show and hide
9	0.49265	0.22210	0.65690
10	0.75735	0.72210	0.59310
11	0.00735	0.77790	0.34310
12	0.24265	0.27790	0.90690
(1/2,0,0)' + set click here to show and hide
13	0.99265	0.22210	0.15690
14	0.25735	0.72210	0.09310
15	0.50735	0.77790	0.84310
16	0.74265	0.27790	0.40690

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

Atom	x	y	z
1	0.41470	0.41760	0.05655
2	0.83530	0.91760	0.19345
3	0.08530	0.58240	0.94345
4	0.16470	0.08240	0.30655
(1/2,0,1/2) + set click here to show and hide
5	0.91470	0.41760	0.55655
6	0.33530	0.91760	0.69345
7	0.58530	0.58240	0.44345
8	0.66470	0.08240	0.80655
(0,0,1/2)' + set click here to show and hide
9	0.41470	0.41760	0.55655
10	0.83530	0.91760	0.69345
11	0.08530	0.58240	0.44345
12	0.16470	0.08240	0.80655
(1/2,0,0)' + set click here to show and hide
13	0.91470	0.41760	0.05655
14	0.33530	0.91760	0.19345
15	0.58530	0.58240	0.94345
16	0.66470	0.08240	0.30655

Set of atoms in the unit cell related by symmetry with the atom O4:

Atom	x	y	z
1	0.24205	0.47580	0.12250
2	0.00795	0.97580	0.12750
3	0.25795	0.52420	0.87750
4	0.99205	0.02420	0.37250
(1/2,0,1/2) + set click here to show and hide
5	0.74205	0.47580	0.62250
6	0.50795	0.97580	0.62750
7	0.75795	0.52420	0.37750
8	0.49205	0.02420	0.87250
(0,0,1/2)' + set click here to show and hide
9	0.24205	0.47580	0.62250
10	0.00795	0.97580	0.62750
11	0.25795	0.52420	0.37750
12	0.99205	0.02420	0.87250
(1/2,0,0)' + set click here to show and hide
13	0.74205	0.47580	0.12250
14	0.50795	0.97580	0.12750
15	0.75795	0.52420	0.87750
16	0.49205	0.02420	0.37250

Set of atoms in the unit cell related by symmetry with the atom O5:

Atom	x	y	z
1	0.30530	0.17180	0.24280
2	0.94470	0.67180	0.00720
3	0.19470	0.82820	0.75720
4	0.05530	0.32820	0.49280
(1/2,0,1/2) + set click here to show and hide
5	0.80530	0.17180	0.74280
6	0.44470	0.67180	0.50720
7	0.69470	0.82820	0.25720
8	0.55530	0.32820	0.99280
(0,0,1/2)' + set click here to show and hide
9	0.30530	0.17180	0.74280
10	0.94470	0.67180	0.50720
11	0.19470	0.82820	0.25720
12	0.05530	0.32820	0.99280
(1/2,0,0)' + set click here to show and hide
13	0.80530	0.17180	0.24280
14	0.44470	0.67180	0.00720
15	0.69470	0.82820	0.75720
16	0.55530	0.32820	0.49280

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1	Ni	0.40685	0.08050	0.18510	16	m_x,m_y,m_z	-0.54(3)	0.33(4)	1.89(3)	2.14

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