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

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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\|
Cr1	Cr	0.00000	0.00000	0.16495	16	m_x,m_y,m_z	0.37(9)	0.95(5)	1.26(2)	1.62
Re1	Re	0.00000	0.00000	0.00000	8	m_x,m_y,m_z	-0.21(17)	0.03(8)	0.15(11)	0.26

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
O1_1	O	0.15145	0.30290	0.16820	16
O1_2	O	0.84855	0.69710	0.16820	16
O2_1	O	0.14995	0.30290	0.00000	16
O2_2	O	0.09855	0.79990	0.25000	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 Cr1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.16495	m_x,m_y,m_z	0.37000	0.95000	1.26000
2	0.75000	0.50000	0.08505	-m_x,m_y,-m_z	-0.37000	0.95000	-1.26000
3	0.00000	0.00000	0.83505	m_x,m_y,m_z	0.37000	0.95000	1.26000
4	0.75000	0.50000	0.41495	-m_x,m_y,-m_z	-0.37000	0.95000	-1.26000
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5	0.50000	0.00000	0.66495	m_x,m_y,m_z	0.37000	0.95000	1.26000
6	0.25000	0.50000	0.58505	-m_x,m_y,-m_z	-0.37000	0.95000	-1.26000
7	0.50000	0.00000	0.33505	m_x,m_y,m_z	0.37000	0.95000	1.26000
8	0.25000	0.50000	0.91495	-m_x,m_y,-m_z	-0.37000	0.95000	-1.26000
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9	0.50000	0.00000	0.16495	-m_x,-m_y,-m_z	-0.37000	-0.95000	-1.26000
10	0.25000	0.50000	0.08505	m_x,-m_y,m_z	0.37000	-0.95000	1.26000
11	0.50000	0.00000	0.83505	-m_x,-m_y,-m_z	-0.37000	-0.95000	-1.26000
12	0.25000	0.50000	0.41495	m_x,-m_y,m_z	0.37000	-0.95000	1.26000
(0,0,1/2)' + set click here to show and hide
13	0.00000	0.00000	0.66495	-m_x,-m_y,-m_z	-0.37000	-0.95000	-1.26000
14	0.75000	0.50000	0.58505	m_x,-m_y,m_z	0.37000	-0.95000	1.26000
15	0.00000	0.00000	0.33505	-m_x,-m_y,-m_z	-0.37000	-0.95000	-1.26000
16	0.75000	0.50000	0.91495	m_x,-m_y,m_z	0.37000	-0.95000	1.26000

Set of atoms in the unit cell related by symmetry with the magnetic atom Re1:

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	-0.21000	0.03000	0.15000
2	0.75000	0.50000	0.25000	-m_x,m_y,-m_z	0.21000	0.03000	-0.15000
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3	0.50000	0.00000	0.50000	m_x,m_y,m_z	-0.21000	0.03000	0.15000
4	0.25000	0.50000	0.75000	-m_x,m_y,-m_z	0.21000	0.03000	-0.15000
(1/2,0,0)' + set click here to show and hide
5	0.50000	0.00000	0.00000	-m_x,-m_y,-m_z	0.21000	-0.03000	-0.15000
6	0.25000	0.50000	0.25000	m_x,-m_y,m_z	-0.21000	-0.03000	0.15000
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7	0.00000	0.00000	0.50000	-m_x,-m_y,-m_z	0.21000	-0.03000	-0.15000
8	0.75000	0.50000	0.75000	m_x,-m_y,m_z	-0.21000	-0.03000	0.15000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.15145	0.30290	0.16820
2	0.59855	0.80290	0.08180
3	0.84855	0.69710	0.83180
4	0.90145	0.19710	0.41820
(1/2,0,1/2) + set click here to show and hide
5	0.65145	0.30290	0.66820
6	0.09855	0.80290	0.58180
7	0.34855	0.69710	0.33180
8	0.40145	0.19710	0.91820
(1/2,0,0)' + set click here to show and hide
9	0.65145	0.30290	0.16820
10	0.09855	0.80290	0.08180
11	0.34855	0.69710	0.83180
12	0.40145	0.19710	0.41820
(0,0,1/2)' + set click here to show and hide
13	0.15145	0.30290	0.66820
14	0.59855	0.80290	0.58180
15	0.84855	0.69710	0.33180
16	0.90145	0.19710	0.91820

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

Atom	x	y	z
1	0.84855	0.69710	0.16820
2	0.90145	0.19710	0.08180
3	0.15145	0.30290	0.83180
4	0.59855	0.80290	0.41820
(1/2,0,1/2) + set click here to show and hide
5	0.34855	0.69710	0.66820
6	0.40145	0.19710	0.58180
7	0.65145	0.30290	0.33180
8	0.09855	0.80290	0.91820
(1/2,0,0)' + set click here to show and hide
9	0.34855	0.69710	0.16820
10	0.40145	0.19710	0.08180
11	0.65145	0.30290	0.83180
12	0.09855	0.80290	0.41820
(0,0,1/2)' + set click here to show and hide
13	0.84855	0.69710	0.66820
14	0.90145	0.19710	0.58180
15	0.15145	0.30290	0.33180
16	0.59855	0.80290	0.91820

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

Atom	x	y	z
1	0.14995	0.30290	0.00000
2	0.60005	0.80290	0.25000
3	0.85005	0.69710	0.00000
4	0.89995	0.19710	0.25000
(1/2,0,1/2) + set click here to show and hide
5	0.64995	0.30290	0.50000
6	0.10005	0.80290	0.75000
7	0.35005	0.69710	0.50000
8	0.39995	0.19710	0.75000
(1/2,0,0)' + set click here to show and hide
9	0.64995	0.30290	0.00000
10	0.10005	0.80290	0.25000
11	0.35005	0.69710	0.00000
12	0.39995	0.19710	0.25000
(0,0,1/2)' + set click here to show and hide
13	0.14995	0.30290	0.50000
14	0.60005	0.80290	0.75000
15	0.85005	0.69710	0.50000
16	0.89995	0.19710	0.75000

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

Atom	x	y	z
1	0.09855	0.79990	0.25000
2	0.65145	0.29990	0.00000
3	0.90145	0.20010	0.75000
4	0.84855	0.70010	0.50000
(1/2,0,1/2) + set click here to show and hide
5	0.59855	0.79990	0.75000
6	0.15145	0.29990	0.50000
7	0.40145	0.20010	0.25000
8	0.34855	0.70010	0.00000
(1/2,0,0)' + set click here to show and hide
9	0.59855	0.79990	0.25000
10	0.15145	0.29990	0.00000
11	0.40145	0.20010	0.75000
12	0.34855	0.70010	0.50000
(0,0,1/2)' + set click here to show and hide
13	0.09855	0.79990	0.75000
14	0.65145	0.29990	0.50000
15	0.90145	0.20010	0.25000
16	0.84855	0.70010	0.00000

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cr1	Cr	0.00000	0.00000	0.16495	16	m_x,m_y,m_z	0.37(9)	0.95(5)	1.26(2)	1.62
Re1	Re	0.00000	0.00000	0.00000	8	m_x,m_y,m_z	-0.21(17)	0.03(8)	0.15(11)	0.26

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mR1+	4	2	special	primary	6

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