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

[Hide]

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

Magnetic atoms:

Label	Atom type	x	y	Multiplicity	Symmetry constraints on M	M_x	M_y	\|M\|
Ce1	Ce	0.00000	0.00000	6	2m_y,m_y,m_z	0.254	0.127	0.22
Fe1_1	Fe	0.55250	0.00000	12	m_x,m_y,m_z	4.82	2.41	4.17
Fe1_2	Fe	0.00000	0.55250	6	2m_y,m_y,m_z	4.82	2.41	4.17

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
O1_1	O	0.85660	0.00000	0.25000	12
O1_2	O	0.00000	0.85660	0.25000	6
O2_1	O	0.58920	0.00000	0.25000	12
O2_2	O	0.00000	0.58920	0.25000	6
O3_1	O	0.44990	0.14280	0.25965	12
O3_2	O	0.85720	0.30710	0.25965	12
O3_3	O	0.69290	0.55010	0.25965	12
B1	B	0.00000	0.00000	0.25000	6
B2_1	B	0.44730	0.00000	0.25000	12
B2_2	B	0.00000	0.44730	0.25000	6

[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 Ce1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	2m_y,m_y,m_z	0.25400	0.12700	0.00000
(1/3,2/3,1/3) + set click here to show and hide
2	0.33333	0.66667	0.33333	2m_y,m_y,m_z	0.25400	0.12700	0.00000
(2/3,1/3,2/3) + set click here to show and hide
3	0.66667	0.33333	0.66667	2m_y,m_y,m_z	0.25400	0.12700	0.00000
(1/3,2/3,5/6)' + set click here to show and hide
4	0.33333	0.66667	0.83333	-2m_y,-m_y,-m_z	-0.25400	-0.12700	0.00000
(2/3,1/3,1/6)' + set click here to show and hide
5	0.66667	0.33333	0.16667	-2m_y,-m_y,-m_z	-0.25400	-0.12700	0.00000
(0,0,1/2)' + set click here to show and hide
6	0.00000	0.00000	0.50000	-2m_y,-m_y,-m_z	-0.25400	-0.12700	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.55250	0.00000	0.00000	m_x,m_y,m_z	4.82000	2.41000	0.00000
2	0.78083	0.11417	0.83333	-m_x,-m_x+m_y,-m_z	-4.82000	-2.41000	0.00000
(1/3,2/3,1/3) + set click here to show and hide
3	0.88583	0.66667	0.33333	m_x,m_y,m_z	4.82000	2.41000	0.00000
4	0.11417	0.78083	0.16667	-m_x,-m_x+m_y,-m_z	-4.82000	-2.41000	0.00000
(2/3,1/3,2/3) + set click here to show and hide
5	0.21917	0.33333	0.66667	m_x,m_y,m_z	4.82000	2.41000	0.00000
6	0.44750	0.44750	0.50000	-m_x,-m_x+m_y,-m_z	-4.82000	-2.41000	0.00000
(1/3,2/3,5/6)' + set click here to show and hide
7	0.88583	0.66667	0.83333	-m_x,-m_y,-m_z	-4.82000	-2.41000	0.00000
8	0.11417	0.78083	0.66667	m_x,m_x-m_y,m_z	4.82000	2.41000	0.00000
(2/3,1/3,1/6)' + set click here to show and hide
9	0.21917	0.33333	0.16667	-m_x,-m_y,-m_z	-4.82000	-2.41000	0.00000
10	0.44750	0.44750	0.00000	m_x,m_x-m_y,m_z	4.82000	2.41000	0.00000
(0,0,1/2)' + set click here to show and hide
11	0.55250	0.00000	0.50000	-m_x,-m_y,-m_z	-4.82000	-2.41000	0.00000
12	0.78083	0.11417	0.33333	m_x,m_x-m_y,m_z	4.82000	2.41000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.55250	0.00000	2m_y,m_y,m_z	4.82000	2.41000	0.00000
(1/3,2/3,1/3) + set click here to show and hide
2	0.33333	0.21917	0.33333	2m_y,m_y,m_z	4.82000	2.41000	0.00000
(2/3,1/3,2/3) + set click here to show and hide
3	0.66667	0.88583	0.66667	2m_y,m_y,m_z	4.82000	2.41000	0.00000
(1/3,2/3,5/6)' + set click here to show and hide
4	0.33333	0.21917	0.83333	-2m_y,-m_y,-m_z	-4.82000	-2.41000	0.00000
(2/3,1/3,1/6)' + set click here to show and hide
5	0.66667	0.88583	0.16667	-2m_y,-m_y,-m_z	-4.82000	-2.41000	0.00000
(0,0,1/2)' + set click here to show and hide
6	0.00000	0.55250	0.50000	-2m_y,-m_y,-m_z	-4.82000	-2.41000	0.00000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.85660	0.00000	0.25000
2	0.47673	0.81007	0.58333
(1/3,2/3,1/3) + set click here to show and hide
3	0.18993	0.66667	0.58333
4	0.81007	0.47673	0.91667
(2/3,1/3,2/3) + set click here to show and hide
5	0.52327	0.33333	0.91667
6	0.14340	0.14340	0.25000
(1/3,2/3,5/6)' + set click here to show and hide
7	0.18993	0.66667	0.08333
8	0.81007	0.47673	0.41667
(2/3,1/3,1/6)' + set click here to show and hide
9	0.52327	0.33333	0.41667
10	0.14340	0.14340	0.75000
(0,0,1/2)' + set click here to show and hide
11	0.85660	0.00000	0.75000
12	0.47673	0.81007	0.08333

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

Atom	x	y	z
1	0.00000	0.85660	0.25000
(1/3,2/3,1/3) + set click here to show and hide
2	0.33333	0.52327	0.58333
(2/3,1/3,2/3) + set click here to show and hide
3	0.66667	0.18993	0.91667
(1/3,2/3,5/6)' + set click here to show and hide
4	0.33333	0.52327	0.08333
(2/3,1/3,1/6)' + set click here to show and hide
5	0.66667	0.18993	0.41667
(0,0,1/2)' + set click here to show and hide
6	0.00000	0.85660	0.75000

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

Atom	x	y	z
1	0.58920	0.00000	0.25000
2	0.74413	0.07747	0.58333
(1/3,2/3,1/3) + set click here to show and hide
3	0.92253	0.66667	0.58333
4	0.07747	0.74413	0.91667
(2/3,1/3,2/3) + set click here to show and hide
5	0.25587	0.33333	0.91667
6	0.41080	0.41080	0.25000
(1/3,2/3,5/6)' + set click here to show and hide
7	0.92253	0.66667	0.08333
8	0.07747	0.74413	0.41667
(2/3,1/3,1/6)' + set click here to show and hide
9	0.25587	0.33333	0.41667
10	0.41080	0.41080	0.75000
(0,0,1/2)' + set click here to show and hide
11	0.58920	0.00000	0.75000
12	0.74413	0.07747	0.08333

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

Atom	x	y	z
1	0.00000	0.58920	0.25000
(1/3,2/3,1/3) + set click here to show and hide
2	0.33333	0.25587	0.58333
(2/3,1/3,2/3) + set click here to show and hide
3	0.66667	0.92253	0.91667
(1/3,2/3,5/6)' + set click here to show and hide
4	0.33333	0.25587	0.08333
(2/3,1/3,1/6)' + set click here to show and hide
5	0.66667	0.92253	0.41667
(0,0,1/2)' + set click here to show and hide
6	0.00000	0.58920	0.75000

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

Atom	x	y	z
1	0.44990	0.14280	0.25965
2	0.88343	0.35957	0.57368
(1/3,2/3,1/3) + set click here to show and hide
3	0.78323	0.80947	0.59298
4	0.21677	0.02623	0.90702
(2/3,1/3,2/3) + set click here to show and hide
5	0.11657	0.47613	0.92632
6	0.55010	0.69290	0.24035
(1/3,2/3,5/6)' + set click here to show and hide
7	0.78323	0.80947	0.09298
8	0.21677	0.02623	0.40702
(2/3,1/3,1/6)' + set click here to show and hide
9	0.11657	0.47613	0.42632
10	0.55010	0.69290	0.74035
(0,0,1/2)' + set click here to show and hide
11	0.44990	0.14280	0.75965
12	0.88343	0.35957	0.07368

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

Atom	x	y	z
1	0.85720	0.30710	0.25965
2	0.47613	0.11657	0.57368
(1/3,2/3,1/3) + set click here to show and hide
3	0.19053	0.97377	0.59298
4	0.80947	0.78323	0.90702
(2/3,1/3,2/3) + set click here to show and hide
5	0.52387	0.64043	0.92632
6	0.14280	0.44990	0.24035
(1/3,2/3,5/6)' + set click here to show and hide
7	0.19053	0.97377	0.09298
8	0.80947	0.78323	0.40702
(2/3,1/3,1/6)' + set click here to show and hide
9	0.52387	0.64043	0.42632
10	0.14280	0.44990	0.74035
(0,0,1/2)' + set click here to show and hide
11	0.85720	0.30710	0.75965
12	0.47613	0.11657	0.07368

Set of atoms in the unit cell related by symmetry with the atom O3_3:

Atom	x	y	z
1	0.69290	0.55010	0.25965
2	0.64043	0.52387	0.57368
(1/3,2/3,1/3) + set click here to show and hide
3	0.02623	0.21677	0.59298
4	0.97377	0.19053	0.90702
(2/3,1/3,2/3) + set click here to show and hide
5	0.35957	0.88343	0.92632
6	0.30710	0.85720	0.24035
(1/3,2/3,5/6)' + set click here to show and hide
7	0.02623	0.21677	0.09298
8	0.97377	0.19053	0.40702
(2/3,1/3,1/6)' + set click here to show and hide
9	0.35957	0.88343	0.42632
10	0.30710	0.85720	0.74035
(0,0,1/2)' + set click here to show and hide
11	0.69290	0.55010	0.75965
12	0.64043	0.52387	0.07368

Set of atoms in the unit cell related by symmetry with the atom B1:

Atom	x	y	z
1	0.00000	0.00000	0.25000
(1/3,2/3,1/3) + set click here to show and hide
2	0.33333	0.66667	0.58333
(2/3,1/3,2/3) + set click here to show and hide
3	0.66667	0.33333	0.91667
(1/3,2/3,5/6)' + set click here to show and hide
4	0.33333	0.66667	0.08333
(2/3,1/3,1/6)' + set click here to show and hide
5	0.66667	0.33333	0.41667
(0,0,1/2)' + set click here to show and hide
6	0.00000	0.00000	0.75000

Set of atoms in the unit cell related by symmetry with the atom B2_1:

Atom	x	y	z
1	0.44730	0.00000	0.25000
2	0.88603	0.21937	0.58333
(1/3,2/3,1/3) + set click here to show and hide
3	0.78063	0.66667	0.58333
4	0.21937	0.88603	0.91667
(2/3,1/3,2/3) + set click here to show and hide
5	0.11397	0.33333	0.91667
6	0.55270	0.55270	0.25000
(1/3,2/3,5/6)' + set click here to show and hide
7	0.78063	0.66667	0.08333
8	0.21937	0.88603	0.41667
(2/3,1/3,1/6)' + set click here to show and hide
9	0.11397	0.33333	0.41667
10	0.55270	0.55270	0.75000
(0,0,1/2)' + set click here to show and hide
11	0.44730	0.00000	0.75000
12	0.88603	0.21937	0.08333

Set of atoms in the unit cell related by symmetry with the atom B2_2:

Atom	x	y	z
1	0.00000	0.44730	0.25000
(1/3,2/3,1/3) + set click here to show and hide
2	0.33333	0.11397	0.58333
(2/3,1/3,2/3) + set click here to show and hide
3	0.66667	0.78063	0.91667
(1/3,2/3,5/6)' + set click here to show and hide
4	0.33333	0.11397	0.08333
(2/3,1/3,1/6)' + set click here to show and hide
5	0.66667	0.78063	0.41667
(0,0,1/2)' + set click here to show and hide
6	0.00000	0.44730	0.75000

[Hide]

Label	Atom type	x	y	Multiplicity	Symmetry constraints on M	M_x	M_y	\|M\|
Ce1	Ce	0.00000	0.00000	6	2m_y,m_y,m_z	0.254	0.127	0.22
Fe1_1	Fe	0.55250	0.00000	12	m_x,m_y,m_z	4.82	2.41	4.17
Fe1_2	Fe	0.00000	0.55250	6	2m_y,m_y,m_z	4.82	2.41	4.17

[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:

Set of atoms in the unit cell related by symmetry with the magnetic atom Ce1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	2m_y,m_y,m_z	0.25400	0.12700	0.00000
(1/3,2/3,1/3) + set click here to show and hide
2	0.33333	0.66667	0.33333	2m_y,m_y,m_z	0.25400	0.12700	0.00000
(2/3,1/3,2/3) + set click here to show and hide
3	0.66667	0.33333	0.66667	2m_y,m_y,m_z	0.25400	0.12700	0.00000
(1/3,2/3,5/6)' + set click here to show and hide
4	0.33333	0.66667	0.83333	-2m_y,-m_y,-m_z	-0.25400	-0.12700	0.00000
(2/3,1/3,1/6)' + set click here to show and hide
5	0.66667	0.33333	0.16667	-2m_y,-m_y,-m_z	-0.25400	-0.12700	0.00000
(0,0,1/2)' + set click here to show and hide
6	0.00000	0.00000	0.50000	-2m_y,-m_y,-m_z	-0.25400	-0.12700	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.55250	0.00000	0.00000	m_x,m_y,m_z	4.82000	2.41000	0.00000
2	0.78083	0.11417	0.83333	-m_x,-m_x+m_y,-m_z	-4.82000	-2.41000	0.00000
(1/3,2/3,1/3) + set click here to show and hide
3	0.88583	0.66667	0.33333	m_x,m_y,m_z	4.82000	2.41000	0.00000
4	0.11417	0.78083	0.16667	-m_x,-m_x+m_y,-m_z	-4.82000	-2.41000	0.00000
(2/3,1/3,2/3) + set click here to show and hide
5	0.21917	0.33333	0.66667	m_x,m_y,m_z	4.82000	2.41000	0.00000
6	0.44750	0.44750	0.50000	-m_x,-m_x+m_y,-m_z	-4.82000	-2.41000	0.00000
(1/3,2/3,5/6)' + set click here to show and hide
7	0.88583	0.66667	0.83333	-m_x,-m_y,-m_z	-4.82000	-2.41000	0.00000
8	0.11417	0.78083	0.66667	m_x,m_x-m_y,m_z	4.82000	2.41000	0.00000
(2/3,1/3,1/6)' + set click here to show and hide
9	0.21917	0.33333	0.16667	-m_x,-m_y,-m_z	-4.82000	-2.41000	0.00000
10	0.44750	0.44750	0.00000	m_x,m_x-m_y,m_z	4.82000	2.41000	0.00000
(0,0,1/2)' + set click here to show and hide
11	0.55250	0.00000	0.50000	-m_x,-m_y,-m_z	-4.82000	-2.41000	0.00000
12	0.78083	0.11417	0.33333	m_x,m_x-m_y,m_z	4.82000	2.41000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.55250	0.00000	2m_y,m_y,m_z	4.82000	2.41000	0.00000
(1/3,2/3,1/3) + set click here to show and hide
2	0.33333	0.21917	0.33333	2m_y,m_y,m_z	4.82000	2.41000	0.00000
(2/3,1/3,2/3) + set click here to show and hide
3	0.66667	0.88583	0.66667	2m_y,m_y,m_z	4.82000	2.41000	0.00000
(1/3,2/3,5/6)' + set click here to show and hide
4	0.33333	0.21917	0.83333	-2m_y,-m_y,-m_z	-4.82000	-2.41000	0.00000
(2/3,1/3,1/6)' + set click here to show and hide
5	0.66667	0.88583	0.16667	-2m_y,-m_y,-m_z	-4.82000	-2.41000	0.00000
(0,0,1/2)' + set click here to show and hide
6	0.00000	0.55250	0.50000	-2m_y,-m_y,-m_z	-4.82000	-2.41000	0.00000

[Hide]

label	dim. full irrep	dim. small irrep	direction	action	number of modes	presence
mT3	2	2	special	primary	4
mT2	1	1		secondary	3	no

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

CeFe₃(BO₃)₄ (#1.459)

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

CeFe3(BO3)4 (#1.459)

CeFe₃(BO₃)₄ (#1.459)