MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x,-y,-z,-1	{ -1' \| 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,-y+1/2,-z+1/2,-1	{ -1' \| 0 1/2 1/2 }
(0,1/2,0)' + set click here to show and hide
5	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
6	-x,-y+1/2,-z,+1	{ -1 \| 0 1/2 0 }
(0,0,1/2)' + set click here to show and hide
7	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
8	-x,-y,-z+1/2,+1	{ -1 \| 0 0 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
4	-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\|
Mn1_1	Mn	0.50000	0.00000	0.25000	4	m_x,m_y,m_z	-1.9(5)	1.6(10)	3.7(5)	4.61
Mn1_2	Mn	0.00000	0.25000	0.00000	4	m_x,m_y,m_z	-1.1(10)	3.3(4)	-3.2(7)	4.66
Mn2_1	Mn	0.00000	0.00000	0.25000	4	m_x,m_y,m_z	1.6(5)	-1.7(10)	-3.8(5)	4.59
Mn2_2	Mn	0.50000	0.25000	0.00000	4	m_x,m_y,m_z	-1.5(10)	-4.4(4)	0.1(8)	4.65

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
N1_1	N	0.96941	0.29597	0.34155	8
N1_2	N	0.53059	0.54597	0.90845	8
N2_1	N	0.41929	0.22148	0.14167	8
N2_2	N	0.08071	0.47148	0.10833	8
N3_1	N	0.16791	0.25315	0.47606	8
N3_2	N	0.33209	0.50315	0.77394	8
C1_1	C	0.99016	0.31260	0.25127	8
C1_2	C	0.50984	0.56260	0.99873	8
C2_1	C	0.41766	0.20270	0.23514	8
C2_2	C	0.08234	0.45271	0.01486	8
C3_1	C	0.24132	0.27627	0.45418	8
C3_2	C	0.25868	0.52628	0.79582	8
Cs1_1	Cs	0.21669	0.13760	0.07475	8
Cs1_2	Cs	0.28331	0.38760	0.17525	8
S1_1	S	0.02003	0.33643	0.12505	8
S1_2	S	0.47997	0.58644	0.12495	8
S2_1	S	0.41667	0.17405	0.36295	8
S2_2	S	0.08333	0.42405	0.88705	8
S3_1	S	0.34307	0.31062	0.42500	8
S3_2	S	0.15693	0.56062	0.82500	8

[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 Mn1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.25000	m_x,m_y,m_z	-1.90000	1.60000	3.70000
(0,1/2,1/2) + set click here to show and hide
2	0.50000	0.50000	0.75000	m_x,m_y,m_z	-1.90000	1.60000	3.70000
(0,1/2,0)' + set click here to show and hide
3	0.50000	0.50000	0.25000	-m_x,-m_y,-m_z	1.90000	-1.60000	-3.70000
(0,0,1/2)' + set click here to show and hide
4	0.50000	0.00000	0.75000	-m_x,-m_y,-m_z	1.90000	-1.60000	-3.70000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.25000	0.00000	m_x,m_y,m_z	-1.10000	3.30000	-3.20000
(0,1/2,1/2) + set click here to show and hide
2	0.00000	0.75000	0.50000	m_x,m_y,m_z	-1.10000	3.30000	-3.20000
(0,1/2,0)' + set click here to show and hide
3	0.00000	0.75000	0.00000	-m_x,-m_y,-m_z	1.10000	-3.30000	3.20000
(0,0,1/2)' + set click here to show and hide
4	0.00000	0.25000	0.50000	-m_x,-m_y,-m_z	1.10000	-3.30000	3.20000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_1:

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	1.60000	-1.70000	-3.80000
(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	1.60000	-1.70000	-3.80000
(0,1/2,0)' + set click here to show and hide
3	0.00000	0.50000	0.25000	-m_x,-m_y,-m_z	-1.60000	1.70000	3.80000
(0,0,1/2)' + set click here to show and hide
4	0.00000	0.00000	0.75000	-m_x,-m_y,-m_z	-1.60000	1.70000	3.80000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.25000	0.00000	m_x,m_y,m_z	-1.50000	-4.40000	0.10000
(0,1/2,1/2) + set click here to show and hide
2	0.50000	0.75000	0.50000	m_x,m_y,m_z	-1.50000	-4.40000	0.10000
(0,1/2,0)' + set click here to show and hide
3	0.50000	0.75000	0.00000	-m_x,-m_y,-m_z	1.50000	4.40000	-0.10000
(0,0,1/2)' + set click here to show and hide
4	0.50000	0.25000	0.50000	-m_x,-m_y,-m_z	1.50000	4.40000	-0.10000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom N1_1:

Atom	x	y	z
1	0.96941	0.29597	0.34155
2	0.03059	0.70403	0.65845
(0,1/2,1/2) + set click here to show and hide
3	0.96941	0.79597	0.84155
4	0.03059	0.20403	0.15845
(0,1/2,0)' + set click here to show and hide
5	0.96941	0.79597	0.34155
6	0.03059	0.20403	0.65845
(0,0,1/2)' + set click here to show and hide
7	0.96941	0.29597	0.84155
8	0.03059	0.70403	0.15845

Set of atoms in the unit cell related by symmetry with the atom N1_2:

Atom	x	y	z
1	0.53059	0.54597	0.90845
2	0.46941	0.45403	0.09155
(0,1/2,1/2) + set click here to show and hide
3	0.53059	0.04597	0.40845
4	0.46941	0.95403	0.59155
(0,1/2,0)' + set click here to show and hide
5	0.53059	0.04597	0.90845
6	0.46941	0.95403	0.09155
(0,0,1/2)' + set click here to show and hide
7	0.53059	0.54597	0.40845
8	0.46941	0.45403	0.59155

Set of atoms in the unit cell related by symmetry with the atom N2_1:

Atom	x	y	z
1	0.41929	0.22148	0.14167
2	0.58071	0.77852	0.85833
(0,1/2,1/2) + set click here to show and hide
3	0.41929	0.72148	0.64167
4	0.58071	0.27852	0.35833
(0,1/2,0)' + set click here to show and hide
5	0.41929	0.72148	0.14167
6	0.58071	0.27852	0.85833
(0,0,1/2)' + set click here to show and hide
7	0.41929	0.22148	0.64167
8	0.58071	0.77852	0.35833

Set of atoms in the unit cell related by symmetry with the atom N2_2:

Atom	x	y	z
1	0.08071	0.47148	0.10833
2	0.91929	0.52852	0.89167
(0,1/2,1/2) + set click here to show and hide
3	0.08071	0.97148	0.60833
4	0.91929	0.02852	0.39167
(0,1/2,0)' + set click here to show and hide
5	0.08071	0.97148	0.10833
6	0.91929	0.02852	0.89167
(0,0,1/2)' + set click here to show and hide
7	0.08071	0.47148	0.60833
8	0.91929	0.52852	0.39167

Set of atoms in the unit cell related by symmetry with the atom N3_1:

Atom	x	y	z
1	0.16791	0.25315	0.47606
2	0.83209	0.74685	0.52394
(0,1/2,1/2) + set click here to show and hide
3	0.16791	0.75315	0.97606
4	0.83209	0.24685	0.02394
(0,1/2,0)' + set click here to show and hide
5	0.16791	0.75315	0.47606
6	0.83209	0.24685	0.52394
(0,0,1/2)' + set click here to show and hide
7	0.16791	0.25315	0.97606
8	0.83209	0.74685	0.02394

Set of atoms in the unit cell related by symmetry with the atom N3_2:

Atom	x	y	z
1	0.33209	0.50315	0.77394
2	0.66791	0.49685	0.22606
(0,1/2,1/2) + set click here to show and hide
3	0.33209	0.00315	0.27394
4	0.66791	0.99685	0.72606
(0,1/2,0)' + set click here to show and hide
5	0.33209	0.00315	0.77394
6	0.66791	0.99685	0.22606
(0,0,1/2)' + set click here to show and hide
7	0.33209	0.50315	0.27394
8	0.66791	0.49685	0.72606

Set of atoms in the unit cell related by symmetry with the atom C1_1:

Atom	x	y	z
1	0.99016	0.31260	0.25127
2	0.00984	0.68740	0.74873
(0,1/2,1/2) + set click here to show and hide
3	0.99016	0.81260	0.75127
4	0.00984	0.18740	0.24873
(0,1/2,0)' + set click here to show and hide
5	0.99016	0.81260	0.25127
6	0.00984	0.18740	0.74873
(0,0,1/2)' + set click here to show and hide
7	0.99016	0.31260	0.75127
8	0.00984	0.68740	0.24873

Set of atoms in the unit cell related by symmetry with the atom C1_2:

Atom	x	y	z
1	0.50984	0.56260	0.99873
2	0.49016	0.43740	0.00127
(0,1/2,1/2) + set click here to show and hide
3	0.50984	0.06260	0.49873
4	0.49016	0.93740	0.50127
(0,1/2,0)' + set click here to show and hide
5	0.50984	0.06260	0.99873
6	0.49016	0.93740	0.00127
(0,0,1/2)' + set click here to show and hide
7	0.50984	0.56260	0.49873
8	0.49016	0.43740	0.50127

Set of atoms in the unit cell related by symmetry with the atom C2_1:

Atom	x	y	z
1	0.41766	0.20270	0.23514
2	0.58234	0.79730	0.76486
(0,1/2,1/2) + set click here to show and hide
3	0.41766	0.70270	0.73514
4	0.58234	0.29730	0.26486
(0,1/2,0)' + set click here to show and hide
5	0.41766	0.70270	0.23514
6	0.58234	0.29730	0.76486
(0,0,1/2)' + set click here to show and hide
7	0.41766	0.20270	0.73514
8	0.58234	0.79730	0.26486

Set of atoms in the unit cell related by symmetry with the atom C2_2:

Atom	x	y	z
1	0.08234	0.45271	0.01486
2	0.91766	0.54729	0.98514
(0,1/2,1/2) + set click here to show and hide
3	0.08234	0.95271	0.51486
4	0.91766	0.04729	0.48514
(0,1/2,0)' + set click here to show and hide
5	0.08234	0.95271	0.01486
6	0.91766	0.04729	0.98514
(0,0,1/2)' + set click here to show and hide
7	0.08234	0.45271	0.51486
8	0.91766	0.54729	0.48514

Set of atoms in the unit cell related by symmetry with the atom C3_1:

Atom	x	y	z
1	0.24132	0.27627	0.45418
2	0.75868	0.72373	0.54582
(0,1/2,1/2) + set click here to show and hide
3	0.24132	0.77627	0.95418
4	0.75868	0.22373	0.04582
(0,1/2,0)' + set click here to show and hide
5	0.24132	0.77627	0.45418
6	0.75868	0.22373	0.54582
(0,0,1/2)' + set click here to show and hide
7	0.24132	0.27627	0.95418
8	0.75868	0.72373	0.04582

Set of atoms in the unit cell related by symmetry with the atom C3_2:

Atom	x	y	z
1	0.25868	0.52628	0.79582
2	0.74132	0.47372	0.20418
(0,1/2,1/2) + set click here to show and hide
3	0.25868	0.02628	0.29582
4	0.74132	0.97372	0.70418
(0,1/2,0)' + set click here to show and hide
5	0.25868	0.02628	0.79582
6	0.74132	0.97372	0.20418
(0,0,1/2)' + set click here to show and hide
7	0.25868	0.52628	0.29582
8	0.74132	0.47372	0.70418

Set of atoms in the unit cell related by symmetry with the atom Cs1_1:

Atom	x	y	z
1	0.21669	0.13760	0.07475
2	0.78331	0.86240	0.92525
(0,1/2,1/2) + set click here to show and hide
3	0.21669	0.63760	0.57475
4	0.78331	0.36240	0.42525
(0,1/2,0)' + set click here to show and hide
5	0.21669	0.63760	0.07475
6	0.78331	0.36240	0.92525
(0,0,1/2)' + set click here to show and hide
7	0.21669	0.13760	0.57475
8	0.78331	0.86240	0.42525

Set of atoms in the unit cell related by symmetry with the atom Cs1_2:

Atom	x	y	z
1	0.28331	0.38760	0.17525
2	0.71669	0.61240	0.82475
(0,1/2,1/2) + set click here to show and hide
3	0.28331	0.88760	0.67525
4	0.71669	0.11240	0.32475
(0,1/2,0)' + set click here to show and hide
5	0.28331	0.88760	0.17525
6	0.71669	0.11240	0.82475
(0,0,1/2)' + set click here to show and hide
7	0.28331	0.38760	0.67525
8	0.71669	0.61240	0.32475

Set of atoms in the unit cell related by symmetry with the atom S1_1:

Atom	x	y	z
1	0.02003	0.33643	0.12505
2	0.97997	0.66357	0.87495
(0,1/2,1/2) + set click here to show and hide
3	0.02003	0.83643	0.62505
4	0.97997	0.16357	0.37495
(0,1/2,0)' + set click here to show and hide
5	0.02003	0.83643	0.12505
6	0.97997	0.16357	0.87495
(0,0,1/2)' + set click here to show and hide
7	0.02003	0.33643	0.62505
8	0.97997	0.66357	0.37495

Set of atoms in the unit cell related by symmetry with the atom S1_2:

Atom	x	y	z
1	0.47997	0.58644	0.12495
2	0.52003	0.41356	0.87505
(0,1/2,1/2) + set click here to show and hide
3	0.47997	0.08644	0.62495
4	0.52003	0.91356	0.37505
(0,1/2,0)' + set click here to show and hide
5	0.47997	0.08644	0.12495
6	0.52003	0.91356	0.87505
(0,0,1/2)' + set click here to show and hide
7	0.47997	0.58644	0.62495
8	0.52003	0.41356	0.37505

Set of atoms in the unit cell related by symmetry with the atom S2_1:

Atom	x	y	z
1	0.41667	0.17405	0.36295
2	0.58333	0.82595	0.63705
(0,1/2,1/2) + set click here to show and hide
3	0.41667	0.67405	0.86295
4	0.58333	0.32595	0.13705
(0,1/2,0)' + set click here to show and hide
5	0.41667	0.67405	0.36295
6	0.58333	0.32595	0.63705
(0,0,1/2)' + set click here to show and hide
7	0.41667	0.17405	0.86295
8	0.58333	0.82595	0.13705

Set of atoms in the unit cell related by symmetry with the atom S2_2:

Atom	x	y	z
1	0.08333	0.42405	0.88705
2	0.91667	0.57595	0.11295
(0,1/2,1/2) + set click here to show and hide
3	0.08333	0.92405	0.38705
4	0.91667	0.07595	0.61295
(0,1/2,0)' + set click here to show and hide
5	0.08333	0.92405	0.88705
6	0.91667	0.07595	0.11295
(0,0,1/2)' + set click here to show and hide
7	0.08333	0.42405	0.38705
8	0.91667	0.57595	0.61295

Set of atoms in the unit cell related by symmetry with the atom S3_1:

Atom	x	y	z
1	0.34307	0.31062	0.42500
2	0.65693	0.68938	0.57500
(0,1/2,1/2) + set click here to show and hide
3	0.34307	0.81062	0.92500
4	0.65693	0.18938	0.07500
(0,1/2,0)' + set click here to show and hide
5	0.34307	0.81062	0.42500
6	0.65693	0.18938	0.57500
(0,0,1/2)' + set click here to show and hide
7	0.34307	0.31062	0.92500
8	0.65693	0.68938	0.07500

Set of atoms in the unit cell related by symmetry with the atom S3_2:

Atom	x	y	z
1	0.15693	0.56062	0.82500
2	0.84307	0.43938	0.17500
(0,1/2,1/2) + set click here to show and hide
3	0.15693	0.06062	0.32500
4	0.84307	0.93938	0.67500
(0,1/2,0)' + set click here to show and hide
5	0.15693	0.06062	0.82500
6	0.84307	0.93938	0.17500
(0,0,1/2)' + set click here to show and hide
7	0.15693	0.56062	0.32500
8	0.84307	0.43938	0.67500

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1_1	Mn	0.50000	0.00000	0.25000	4	m_x,m_y,m_z	-1.9(5)	1.6(10)	3.7(5)	4.61
Mn1_2	Mn	0.00000	0.25000	0.00000	4	m_x,m_y,m_z	-1.1(10)	3.3(4)	-3.2(7)	4.66
Mn2_1	Mn	0.00000	0.00000	0.25000	4	m_x,m_y,m_z	1.6(5)	-1.7(10)	-3.8(5)	4.59
Mn2_2	Mn	0.50000	0.25000	0.00000	4	m_x,m_y,m_z	-1.5(10)	-4.4(4)	0.1(8)	4.65

[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: