MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	x+1/2,-y+1/2,-z+1/4,+1	{ 2₁₀₀ \| 1/2 1/2 1/4 }
3	x,-y+1/2,z,+1	{ m₀₁₀ \| 0 1/2 0 }
4	x+1/2,y,-z+1/4,+1	{ m₀₀₁ \| 1/2 0 1/4 }
(0,0,1/2)' + set click here to show and hide
5	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
6	x+1/2,-y+1/2,-z+3/4,-1	{ 2'₁₀₀ \| 1/2 1/2 3/4 }
7	x,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 0 1/2 1/2 }
8	x+1/2,y,-z+3/4,-1	{ m'₀₀₁ \| 1/2 0 3/4 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,-z,+1	2₁₀₀
3	x,-y,z,+1	m₀₁₀
4	x,y,-z,+1	m₀₀₁
1' + set click here to show and hide
5	x,y,z,-1	1'
6	x,-y,-z,-1	2'₁₀₀
7	x,-y,z,-1	m'₀₁₀
8	x,y,-z,-1	m'₀₀₁

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_z	\|M\|
Mn1	Mn	0.00000	0.00000	0.25000	1.	8	m_x,m_y,m_z	-2.4(1)	-2.9(2)	3.76
Mn2_1	Mn	0.16820	0.49850	0.00870	1.	8	m_x,m_y,m_z	2.4(1)	-0.3(1)	2.42
Mn2_2	Mn	0.33180	0.50150	0.25870	1.	8	m_x,m_y,m_z	-2.4	-0.3	2.42

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
La1_1	La	0.00370	0.25000	0.49340	0.375	4
La1_2	La	0.49630	0.75000	0.74340	0.375	4
Ca1_1	Ca	0.00370	0.25000	0.49340	0.625	4
Ca1_2	Ca	0.49630	0.75000	0.74340	0.625	4
La2_1	La	0.34230	0.25000	0.00860	0.375	4
La2_2	La	0.15770	0.75000	0.25860	0.375	4
Ca2_1	Ca	0.34230	0.25000	0.00860	0.625	4
Ca2_2	Ca	0.15770	0.75000	0.25860	0.625	4
La3_1	La	0.17590	0.25000	0.25930	0.375	4
La3_2	La	0.32410	0.75000	0.50930	0.375	4
Ca3_1	Ca	0.17590	0.25000	0.25930	0.625	4
Ca3_2	Ca	0.32410	0.75000	0.50930	0.625	4
O1_1	O	0.33270	0.25000	0.22640	1.	4
O1_2	O	0.16730	0.75000	0.47640	1.	4
O2_1	O	0.15910	0.25000	0.03965	1.	4
O2_2	O	0.34090	0.75000	0.28965	1.	4
O3_1	O	0.50040	0.25000	0.03225	1.	4
O3_2	O	0.99960	0.75000	0.28225	1.	4
O4_1	O	0.24040	0.53450	0.14740	1.	8
O4_2	O	0.25960	0.46550	0.39740	1.	8
O5_1	O	0.07590	0.96360	0.11435	1.	8
O5_2	O	0.42410	0.03640	0.36435	1.	8
O6_1	O	0.09250	0.02740	0.36945	1.	8
O6_2	O	0.40750	0.97260	0.61945	1.	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:

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	-2.40000	0.00000	-2.90000
2	0.50000	0.50000	0.00000	m_x,-m_y,-m_z	-2.40000	0.00000	2.90000
3	0.00000	0.50000	0.25000	-m_x,m_y,-m_z	2.40000	0.00000	2.90000
4	0.50000	0.00000	0.00000	-m_x,-m_y,m_z	2.40000	0.00000	-2.90000
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5	0.00000	0.00000	0.75000	-m_x,-m_y,-m_z	2.40000	0.00000	2.90000
6	0.50000	0.50000	0.50000	-m_x,m_y,m_z	2.40000	0.00000	-2.90000
7	0.00000	0.50000	0.75000	m_x,-m_y,m_z	-2.40000	0.00000	-2.90000
8	0.50000	0.00000	0.50000	m_x,m_y,-m_z	-2.40000	0.00000	2.90000

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	0.16820	0.49850	0.00870	m_x,m_y,m_z	2.40000	0.00000	-0.30000
2	0.66820	0.00150	0.24130	m_x,-m_y,-m_z	2.40000	0.00000	0.30000
3	0.16820	0.00150	0.00870	-m_x,m_y,-m_z	-2.40000	0.00000	0.30000
4	0.66820	0.49850	0.24130	-m_x,-m_y,m_z	-2.40000	0.00000	-0.30000
(0,0,1/2)' + set click here to show and hide
5	0.16820	0.49850	0.50870	-m_x,-m_y,-m_z	-2.40000	0.00000	0.30000
6	0.66820	0.00150	0.74130	-m_x,m_y,m_z	-2.40000	0.00000	-0.30000
7	0.16820	0.00150	0.50870	m_x,-m_y,m_z	2.40000	0.00000	-0.30000
8	0.66820	0.49850	0.74130	m_x,m_y,-m_z	2.40000	0.00000	0.30000

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	0.33180	0.50150	0.25870	m_x,m_y,m_z	-2.40000	0.00000	-0.30000
2	0.83180	0.99850	0.99130	m_x,-m_y,-m_z	-2.40000	0.00000	0.30000
3	0.33180	0.99850	0.25870	-m_x,m_y,-m_z	2.40000	0.00000	0.30000
4	0.83180	0.50150	0.99130	-m_x,-m_y,m_z	2.40000	0.00000	-0.30000
(0,0,1/2)' + set click here to show and hide
5	0.33180	0.50150	0.75870	-m_x,-m_y,-m_z	2.40000	0.00000	0.30000
6	0.83180	0.99850	0.49130	-m_x,m_y,m_z	2.40000	0.00000	-0.30000
7	0.33180	0.99850	0.75870	m_x,-m_y,m_z	-2.40000	0.00000	-0.30000
8	0.83180	0.50150	0.49130	m_x,m_y,-m_z	-2.40000	0.00000	0.30000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom La1_1:

Atom	x	y	z
1	0.00370	0.25000	0.49340
2	0.50370	0.25000	0.75660
(0,0,1/2)' + set click here to show and hide
3	0.00370	0.25000	0.99340
4	0.50370	0.25000	0.25660

Set of atoms in the unit cell related by symmetry with the atom La1_2:

Atom	x	y	z
1	0.49630	0.75000	0.74340
2	0.99630	0.75000	0.50660
(0,0,1/2)' + set click here to show and hide
3	0.49630	0.75000	0.24340
4	0.99630	0.75000	0.00660

Set of atoms in the unit cell related by symmetry with the atom Ca1_1:

Atom	x	y	z
1	0.00370	0.25000	0.49340
2	0.50370	0.25000	0.75660
(0,0,1/2)' + set click here to show and hide
3	0.00370	0.25000	0.99340
4	0.50370	0.25000	0.25660

Set of atoms in the unit cell related by symmetry with the atom Ca1_2:

Atom	x	y	z
1	0.49630	0.75000	0.74340
2	0.99630	0.75000	0.50660
(0,0,1/2)' + set click here to show and hide
3	0.49630	0.75000	0.24340
4	0.99630	0.75000	0.00660

Set of atoms in the unit cell related by symmetry with the atom La2_1:

Atom	x	y	z
1	0.34230	0.25000	0.00860
2	0.84230	0.25000	0.24140
(0,0,1/2)' + set click here to show and hide
3	0.34230	0.25000	0.50860
4	0.84230	0.25000	0.74140

Set of atoms in the unit cell related by symmetry with the atom La2_2:

Atom	x	y	z
1	0.15770	0.75000	0.25860
2	0.65770	0.75000	0.99140
(0,0,1/2)' + set click here to show and hide
3	0.15770	0.75000	0.75860
4	0.65770	0.75000	0.49140

Set of atoms in the unit cell related by symmetry with the atom Ca2_1:

Atom	x	y	z
1	0.34230	0.25000	0.00860
2	0.84230	0.25000	0.24140
(0,0,1/2)' + set click here to show and hide
3	0.34230	0.25000	0.50860
4	0.84230	0.25000	0.74140

Set of atoms in the unit cell related by symmetry with the atom Ca2_2:

Atom	x	y	z
1	0.15770	0.75000	0.25860
2	0.65770	0.75000	0.99140
(0,0,1/2)' + set click here to show and hide
3	0.15770	0.75000	0.75860
4	0.65770	0.75000	0.49140

Set of atoms in the unit cell related by symmetry with the atom La3_1:

Atom	x	y	z
1	0.17590	0.25000	0.25930
2	0.67590	0.25000	0.99070
(0,0,1/2)' + set click here to show and hide
3	0.17590	0.25000	0.75930
4	0.67590	0.25000	0.49070

Set of atoms in the unit cell related by symmetry with the atom La3_2:

Atom	x	y	z
1	0.32410	0.75000	0.50930
2	0.82410	0.75000	0.74070
(0,0,1/2)' + set click here to show and hide
3	0.32410	0.75000	0.00930
4	0.82410	0.75000	0.24070

Set of atoms in the unit cell related by symmetry with the atom Ca3_1:

Atom	x	y	z
1	0.17590	0.25000	0.25930
2	0.67590	0.25000	0.99070
(0,0,1/2)' + set click here to show and hide
3	0.17590	0.25000	0.75930
4	0.67590	0.25000	0.49070

Set of atoms in the unit cell related by symmetry with the atom Ca3_2:

Atom	x	y	z
1	0.32410	0.75000	0.50930
2	0.82410	0.75000	0.74070
(0,0,1/2)' + set click here to show and hide
3	0.32410	0.75000	0.00930
4	0.82410	0.75000	0.24070

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

Atom	x	y	z
1	0.33270	0.25000	0.22640
2	0.83270	0.25000	0.02360
(0,0,1/2)' + set click here to show and hide
3	0.33270	0.25000	0.72640
4	0.83270	0.25000	0.52360

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

Atom	x	y	z
1	0.16730	0.75000	0.47640
2	0.66730	0.75000	0.77360
(0,0,1/2)' + set click here to show and hide
3	0.16730	0.75000	0.97640
4	0.66730	0.75000	0.27360

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

Atom	x	y	z
1	0.15910	0.25000	0.03965
2	0.65910	0.25000	0.21035
(0,0,1/2)' + set click here to show and hide
3	0.15910	0.25000	0.53965
4	0.65910	0.25000	0.71035

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

Atom	x	y	z
1	0.34090	0.75000	0.28965
2	0.84090	0.75000	0.96035
(0,0,1/2)' + set click here to show and hide
3	0.34090	0.75000	0.78965
4	0.84090	0.75000	0.46035

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

Atom	x	y	z
1	0.50040	0.25000	0.03225
2	0.00040	0.25000	0.21775
(0,0,1/2)' + set click here to show and hide
3	0.50040	0.25000	0.53225
4	0.00040	0.25000	0.71775

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

Atom	x	y	z
1	0.99960	0.75000	0.28225
2	0.49960	0.75000	0.96775
(0,0,1/2)' + set click here to show and hide
3	0.99960	0.75000	0.78225
4	0.49960	0.75000	0.46775

Set of atoms in the unit cell related by symmetry with the atom O4_1:

Atom	x	y	z
1	0.24040	0.53450	0.14740
2	0.74040	0.96550	0.10260
3	0.24040	0.96550	0.14740
4	0.74040	0.53450	0.10260
(0,0,1/2)' + set click here to show and hide
5	0.24040	0.53450	0.64740
6	0.74040	0.96550	0.60260
7	0.24040	0.96550	0.64740
8	0.74040	0.53450	0.60260

Set of atoms in the unit cell related by symmetry with the atom O4_2:

Atom	x	y	z
1	0.25960	0.46550	0.39740
2	0.75960	0.03450	0.85260
3	0.25960	0.03450	0.39740
4	0.75960	0.46550	0.85260
(0,0,1/2)' + set click here to show and hide
5	0.25960	0.46550	0.89740
6	0.75960	0.03450	0.35260
7	0.25960	0.03450	0.89740
8	0.75960	0.46550	0.35260

Set of atoms in the unit cell related by symmetry with the atom O5_1:

Atom	x	y	z
1	0.07590	0.96360	0.11435
2	0.57590	0.53640	0.13565
3	0.07590	0.53640	0.11435
4	0.57590	0.96360	0.13565
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5	0.07590	0.96360	0.61435
6	0.57590	0.53640	0.63565
7	0.07590	0.53640	0.61435
8	0.57590	0.96360	0.63565

Set of atoms in the unit cell related by symmetry with the atom O5_2:

Atom	x	y	z
1	0.42410	0.03640	0.36435
2	0.92410	0.46360	0.88565
3	0.42410	0.46360	0.36435
4	0.92410	0.03640	0.88565
(0,0,1/2)' + set click here to show and hide
5	0.42410	0.03640	0.86435
6	0.92410	0.46360	0.38565
7	0.42410	0.46360	0.86435
8	0.92410	0.03640	0.38565

Set of atoms in the unit cell related by symmetry with the atom O6_1:

Atom	x	y	z
1	0.09250	0.02740	0.36945
2	0.59250	0.47260	0.88055
3	0.09250	0.47260	0.36945
4	0.59250	0.02740	0.88055
(0,0,1/2)' + set click here to show and hide
5	0.09250	0.02740	0.86945
6	0.59250	0.47260	0.38055
7	0.09250	0.47260	0.86945
8	0.59250	0.02740	0.38055

Set of atoms in the unit cell related by symmetry with the atom O6_2:

Atom	x	y	z
1	0.40750	0.97260	0.61945
2	0.90750	0.52740	0.63055
3	0.40750	0.52740	0.61945
4	0.90750	0.97260	0.63055
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5	0.40750	0.97260	0.11945
6	0.90750	0.52740	0.13055
7	0.40750	0.52740	0.11945
8	0.90750	0.97260	0.13055

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_z	\|M\|
Mn1	Mn	0.00000	0.00000	0.25000	8	m_x,m_y,m_z	-2.4(1)	-2.9(2)	3.76
Mn2_1	Mn	0.16820	0.49850	0.00870	8	m_x,m_y,m_z	2.4(1)	-0.3(1)	2.42
Mn2_2	Mn	0.33180	0.50150	0.25870	8	m_x,m_y,m_z	-2.4	-0.3	2.42

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mZ1	2	2	special	primary	9

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

La_0.375Ca_0.625MnO₃ (#1.173)

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

La0.375Ca0.625MnO3 (#1.173)

La_0.375Ca_0.625MnO₃ (#1.173)