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,y,-z+1/2,+1	{ 2₀₁₀ \| 0 0 1/2 }
(1/2,1/2,1/2) + set click here to show and hide
3	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
4	-x+1/2,y+1/2,-z,+1	{ 2₀₁₀ \| 1/2 1/2 0 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1_1	Fe	0.87812	0.00410	0.62520	4	m_x,m_y,m_z	1.07	2.2	3.65	4.39
Fe1_2	Fe	0.12188	0.99590	0.37480	4	m_x,m_y,m_z	-1.07	2.2	-3.65	4.39

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Cl1_1	Cl	0.74407	0.00640	0.62260	4
Cl1_2	Cl	0.25593	0.99360	0.37740	4
Cl2_1	Cl	0.89138	0.78990	0.51400	4
Cl2_2	Cl	0.10862	0.21010	0.48600	4
Cl3_1	Cl	0.88784	0.24300	0.52890	4
Cl3_2	Cl	0.11216	0.75700	0.47110	4
Cl4_1	Cl	0.89129	0.21910	0.73627	4
Cl4_2	Cl	0.10871	0.78090	0.26373	4
Cl5_1	Cl	0.88364	0.76830	0.72431	4
Cl5_2	Cl	0.11636	0.23170	0.27569	4
O1_1	O	0.00592	0.99240	0.62640	4
O1_2	O	0.99408	0.00760	0.37360	4
Cs1_1	Cs	0.97089	0.52440	0.87480	4
Cs1_2	Cs	0.02911	0.47560	0.12520	4
Cs2_1	Cs	0.74299	0.49240	0.12470	4
Cs2_2	Cs	0.25701	0.50760	0.87530	4
D1_1	D	0.03180	0.04230	0.57670	4
D1_2	D	0.96820	0.95770	0.42330	4
D2_1	D	0.03330	0.04520	0.67280	4
D2_2	D	0.96670	0.95480	0.32720	4

[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 Fe1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.87812	0.00410	0.62520	m_x,m_y,m_z	1.07000	2.20000	3.65000
2	0.12188	0.00410	0.87480	-m_x,m_y,-m_z	-1.07000	2.20000	-3.65000
(1/2,1/2,1/2) + set click here to show and hide
3	0.37812	0.50410	0.12520	m_x,m_y,m_z	1.07000	2.20000	3.65000
4	0.62188	0.50410	0.37480	-m_x,m_y,-m_z	-1.07000	2.20000	-3.65000

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	0.12188	0.99590	0.37480	m_x,m_y,m_z	-1.07000	2.20000	-3.65000
2	0.87812	0.99590	0.12520	-m_x,m_y,-m_z	1.07000	2.20000	3.65000
(1/2,1/2,1/2) + set click here to show and hide
3	0.62188	0.49590	0.87480	m_x,m_y,m_z	-1.07000	2.20000	-3.65000
4	0.37812	0.49590	0.62520	-m_x,m_y,-m_z	1.07000	2.20000	3.65000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Cl1_1:

Atom	x	y	z
1	0.74407	0.00640	0.62260
2	0.25593	0.00640	0.87740
(1/2,1/2,1/2) + set click here to show and hide
3	0.24407	0.50640	0.12260
4	0.75593	0.50640	0.37740

Set of atoms in the unit cell related by symmetry with the atom Cl1_2:

Atom	x	y	z
1	0.25593	0.99360	0.37740
2	0.74407	0.99360	0.12260
(1/2,1/2,1/2) + set click here to show and hide
3	0.75593	0.49360	0.87740
4	0.24407	0.49360	0.62260

Set of atoms in the unit cell related by symmetry with the atom Cl2_1:

Atom	x	y	z
1	0.89138	0.78990	0.51400
2	0.10862	0.78990	0.98600
(1/2,1/2,1/2) + set click here to show and hide
3	0.39138	0.28990	0.01400
4	0.60862	0.28990	0.48600

Set of atoms in the unit cell related by symmetry with the atom Cl2_2:

Atom	x	y	z
1	0.10862	0.21010	0.48600
2	0.89138	0.21010	0.01400
(1/2,1/2,1/2) + set click here to show and hide
3	0.60862	0.71010	0.98600
4	0.39138	0.71010	0.51400

Set of atoms in the unit cell related by symmetry with the atom Cl3_1:

Atom	x	y	z
1	0.88784	0.24300	0.52890
2	0.11216	0.24300	0.97110
(1/2,1/2,1/2) + set click here to show and hide
3	0.38784	0.74300	0.02890
4	0.61216	0.74300	0.47110

Set of atoms in the unit cell related by symmetry with the atom Cl3_2:

Atom	x	y	z
1	0.11216	0.75700	0.47110
2	0.88784	0.75700	0.02890
(1/2,1/2,1/2) + set click here to show and hide
3	0.61216	0.25700	0.97110
4	0.38784	0.25700	0.52890

Set of atoms in the unit cell related by symmetry with the atom Cl4_1:

Atom	x	y	z
1	0.89129	0.21910	0.73627
2	0.10871	0.21910	0.76373
(1/2,1/2,1/2) + set click here to show and hide
3	0.39129	0.71910	0.23627
4	0.60871	0.71910	0.26373

Set of atoms in the unit cell related by symmetry with the atom Cl4_2:

Atom	x	y	z
1	0.10871	0.78090	0.26373
2	0.89129	0.78090	0.23627
(1/2,1/2,1/2) + set click here to show and hide
3	0.60871	0.28090	0.76373
4	0.39129	0.28090	0.73627

Set of atoms in the unit cell related by symmetry with the atom Cl5_1:

Atom	x	y	z
1	0.88364	0.76830	0.72431
2	0.11636	0.76830	0.77569
(1/2,1/2,1/2) + set click here to show and hide
3	0.38364	0.26830	0.22431
4	0.61636	0.26830	0.27569

Set of atoms in the unit cell related by symmetry with the atom Cl5_2:

Atom	x	y	z
1	0.11636	0.23170	0.27569
2	0.88364	0.23170	0.22431
(1/2,1/2,1/2) + set click here to show and hide
3	0.61636	0.73170	0.77569
4	0.38364	0.73170	0.72431

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

Atom	x	y	z
1	0.00592	0.99240	0.62640
2	0.99408	0.99240	0.87360
(1/2,1/2,1/2) + set click here to show and hide
3	0.50592	0.49240	0.12640
4	0.49408	0.49240	0.37360

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

Atom	x	y	z
1	0.99408	0.00760	0.37360
2	0.00592	0.00760	0.12640
(1/2,1/2,1/2) + set click here to show and hide
3	0.49408	0.50760	0.87360
4	0.50592	0.50760	0.62640

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

Atom	x	y	z
1	0.97089	0.52440	0.87480
2	0.02911	0.52440	0.62520
(1/2,1/2,1/2) + set click here to show and hide
3	0.47089	0.02440	0.37480
4	0.52911	0.02440	0.12520

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

Atom	x	y	z
1	0.02911	0.47560	0.12520
2	0.97089	0.47560	0.37480
(1/2,1/2,1/2) + set click here to show and hide
3	0.52911	0.97560	0.62520
4	0.47089	0.97560	0.87480

Set of atoms in the unit cell related by symmetry with the atom Cs2_1:

Atom	x	y	z
1	0.74299	0.49240	0.12470
2	0.25701	0.49240	0.37530
(1/2,1/2,1/2) + set click here to show and hide
3	0.24299	0.99240	0.62470
4	0.75701	0.99240	0.87530

Set of atoms in the unit cell related by symmetry with the atom Cs2_2:

Atom	x	y	z
1	0.25701	0.50760	0.87530
2	0.74299	0.50760	0.62470
(1/2,1/2,1/2) + set click here to show and hide
3	0.75701	0.00760	0.37530
4	0.24299	0.00760	0.12470

Set of atoms in the unit cell related by symmetry with the atom D1_1:

Atom	x	y	z
1	0.03180	0.04230	0.57670
2	0.96820	0.04230	0.92330
(1/2,1/2,1/2) + set click here to show and hide
3	0.53180	0.54230	0.07670
4	0.46820	0.54230	0.42330

Set of atoms in the unit cell related by symmetry with the atom D1_2:

Atom	x	y	z
1	0.96820	0.95770	0.42330
2	0.03180	0.95770	0.07670
(1/2,1/2,1/2) + set click here to show and hide
3	0.46820	0.45770	0.92330
4	0.53180	0.45770	0.57670

Set of atoms in the unit cell related by symmetry with the atom D2_1:

Atom	x	y	z
1	0.03330	0.04520	0.67280
2	0.96670	0.04520	0.82720
(1/2,1/2,1/2) + set click here to show and hide
3	0.53330	0.54520	0.17280
4	0.46670	0.54520	0.32720

Set of atoms in the unit cell related by symmetry with the atom D2_2:

Atom	x	y	z
1	0.96670	0.95480	0.32720
2	0.03330	0.95480	0.17280
(1/2,1/2,1/2) + set click here to show and hide
3	0.46670	0.45480	0.82720
4	0.53330	0.45480	0.67280

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1_1	Fe	0.87812	0.00410	0.62520	4	m_x,m_y,m_z	1.07	2.2	3.65	4.39
Fe1_2	Fe	0.12188	0.99590	0.37480	4	m_x,m_y,m_z	-1.07	2.2	-3.65	4.39

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

label	dim. small irrep	dim. full irrep	action	number of modes
mGM1+	1	1	primary	3
mGM1-	1	1	primary	3

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

Cs₂FeCl_5.D₂O (#0.253)

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

Cs2FeCl5.D2O (#0.253)

Cs₂FeCl_5.D₂O (#0.253)