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+1/2,-z,+1	{ -1 \| 0 1/2 0 }
(1/2,1/2,0) + set click here to show and hide
3	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
4	-x+1/2,-y,-z,+1	{ -1 \| 1/2 0 0 }
(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,-z,-1	{ -1' \| 0 }
(1/2,0,0)' + set click here to show and hide
7	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
8	-x+1/2,-y+1/2,-z,-1	{ -1' \| 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	-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\|
Fe1	Fe	0.23770	0.14380	0.23850	8	m_x,m_y,m_z	1.16(7)	-0.88(12)	4.00(4)	4.15

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
C1	C	0.06250	0.03500	0.00680	8
C2	C	0.19450	0.21845	0.52330	8
C3	C	0.19300	0.27700	0.01160	8
O1	O	0.10500	0.07700	0.90650	8
O2	O	0.11650	0.04195	0.14720	8
O3	O	0.14500	0.15990	0.41830	8
O4	O	0.14200	0.24350	0.63250	8
O5	O	0.14450	0.25650	0.13050	8
O6	O	0.35600	0.15945	0.07690	8
O7	O	0.34100	0.03850	0.33400	8
H1	H	0.39250	0.05550	0.44300	8
H2	H	0.38100	0.49000	0.25700	8
O8	O	0.07800	0.39600	0.38700	8
H3	H	0.09700	0.43050	0.28500	8
H4	H	0.00850	0.34500	0.35900	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 Fe1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.23770	0.14380	0.23850	m_x,m_y,m_z	1.16000	-0.88000	4.00000
2	0.76230	0.35620	0.76150	m_x,m_y,m_z	1.16000	-0.88000	4.00000
(1/2,1/2,0) + set click here to show and hide
3	0.73770	0.64380	0.23850	m_x,m_y,m_z	1.16000	-0.88000	4.00000
4	0.26230	0.85620	0.76150	m_x,m_y,m_z	1.16000	-0.88000	4.00000
(0,1/2,0)' + set click here to show and hide
5	0.23770	0.64380	0.23850	-m_x,-m_y,-m_z	-1.16000	0.88000	-4.00000
6	0.76230	0.85620	0.76150	-m_x,-m_y,-m_z	-1.16000	0.88000	-4.00000
(1/2,0,0)' + set click here to show and hide
7	0.73770	0.14380	0.23850	-m_x,-m_y,-m_z	-1.16000	0.88000	-4.00000
8	0.26230	0.35620	0.76150	-m_x,-m_y,-m_z	-1.16000	0.88000	-4.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom C1:

Atom	x	y	z
1	0.06250	0.03500	0.00680
2	0.93750	0.46500	0.99320
(1/2,1/2,0) + set click here to show and hide
3	0.56250	0.53500	0.00680
4	0.43750	0.96500	0.99320
(0,1/2,0)' + set click here to show and hide
5	0.06250	0.53500	0.00680
6	0.93750	0.96500	0.99320
(1/2,0,0)' + set click here to show and hide
7	0.56250	0.03500	0.00680
8	0.43750	0.46500	0.99320

Set of atoms in the unit cell related by symmetry with the atom C2:

Atom	x	y	z
1	0.19450	0.21845	0.52330
2	0.80550	0.28155	0.47670
(1/2,1/2,0) + set click here to show and hide
3	0.69450	0.71845	0.52330
4	0.30550	0.78155	0.47670
(0,1/2,0)' + set click here to show and hide
5	0.19450	0.71845	0.52330
6	0.80550	0.78155	0.47670
(1/2,0,0)' + set click here to show and hide
7	0.69450	0.21845	0.52330
8	0.30550	0.28155	0.47670

Set of atoms in the unit cell related by symmetry with the atom C3:

Atom	x	y	z
1	0.19300	0.27700	0.01160
2	0.80700	0.22300	0.98840
(1/2,1/2,0) + set click here to show and hide
3	0.69300	0.77700	0.01160
4	0.30700	0.72300	0.98840
(0,1/2,0)' + set click here to show and hide
5	0.19300	0.77700	0.01160
6	0.80700	0.72300	0.98840
(1/2,0,0)' + set click here to show and hide
7	0.69300	0.27700	0.01160
8	0.30700	0.22300	0.98840

Set of atoms in the unit cell related by symmetry with the atom O1:

Atom	x	y	z
1	0.10500	0.07700	0.90650
2	0.89500	0.42300	0.09350
(1/2,1/2,0) + set click here to show and hide
3	0.60500	0.57700	0.90650
4	0.39500	0.92300	0.09350
(0,1/2,0)' + set click here to show and hide
5	0.10500	0.57700	0.90650
6	0.89500	0.92300	0.09350
(1/2,0,0)' + set click here to show and hide
7	0.60500	0.07700	0.90650
8	0.39500	0.42300	0.09350

Set of atoms in the unit cell related by symmetry with the atom O2:

Atom	x	y	z
1	0.11650	0.04195	0.14720
2	0.88350	0.45805	0.85280
(1/2,1/2,0) + set click here to show and hide
3	0.61650	0.54195	0.14720
4	0.38350	0.95805	0.85280
(0,1/2,0)' + set click here to show and hide
5	0.11650	0.54195	0.14720
6	0.88350	0.95805	0.85280
(1/2,0,0)' + set click here to show and hide
7	0.61650	0.04195	0.14720
8	0.38350	0.45805	0.85280

Set of atoms in the unit cell related by symmetry with the atom O3:

Atom	x	y	z
1	0.14500	0.15990	0.41830
2	0.85500	0.34010	0.58170
(1/2,1/2,0) + set click here to show and hide
3	0.64500	0.65990	0.41830
4	0.35500	0.84010	0.58170
(0,1/2,0)' + set click here to show and hide
5	0.14500	0.65990	0.41830
6	0.85500	0.84010	0.58170
(1/2,0,0)' + set click here to show and hide
7	0.64500	0.15990	0.41830
8	0.35500	0.34010	0.58170

Set of atoms in the unit cell related by symmetry with the atom O4:

Atom	x	y	z
1	0.14200	0.24350	0.63250
2	0.85800	0.25650	0.36750
(1/2,1/2,0) + set click here to show and hide
3	0.64200	0.74350	0.63250
4	0.35800	0.75650	0.36750
(0,1/2,0)' + set click here to show and hide
5	0.14200	0.74350	0.63250
6	0.85800	0.75650	0.36750
(1/2,0,0)' + set click here to show and hide
7	0.64200	0.24350	0.63250
8	0.35800	0.25650	0.36750

Set of atoms in the unit cell related by symmetry with the atom O5:

Atom	x	y	z
1	0.14450	0.25650	0.13050
2	0.85550	0.24350	0.86950
(1/2,1/2,0) + set click here to show and hide
3	0.64450	0.75650	0.13050
4	0.35550	0.74350	0.86950
(0,1/2,0)' + set click here to show and hide
5	0.14450	0.75650	0.13050
6	0.85550	0.74350	0.86950
(1/2,0,0)' + set click here to show and hide
7	0.64450	0.25650	0.13050
8	0.35550	0.24350	0.86950

Set of atoms in the unit cell related by symmetry with the atom O6:

Atom	x	y	z
1	0.35600	0.15945	0.07690
2	0.64400	0.34055	0.92310
(1/2,1/2,0) + set click here to show and hide
3	0.85600	0.65945	0.07690
4	0.14400	0.84055	0.92310
(0,1/2,0)' + set click here to show and hide
5	0.35600	0.65945	0.07690
6	0.64400	0.84055	0.92310
(1/2,0,0)' + set click here to show and hide
7	0.85600	0.15945	0.07690
8	0.14400	0.34055	0.92310

Set of atoms in the unit cell related by symmetry with the atom O7:

Atom	x	y	z
1	0.34100	0.03850	0.33400
2	0.65900	0.46150	0.66600
(1/2,1/2,0) + set click here to show and hide
3	0.84100	0.53850	0.33400
4	0.15900	0.96150	0.66600
(0,1/2,0)' + set click here to show and hide
5	0.34100	0.53850	0.33400
6	0.65900	0.96150	0.66600
(1/2,0,0)' + set click here to show and hide
7	0.84100	0.03850	0.33400
8	0.15900	0.46150	0.66600

Set of atoms in the unit cell related by symmetry with the atom H1:

Atom	x	y	z
1	0.39250	0.05550	0.44300
2	0.60750	0.44450	0.55700
(1/2,1/2,0) + set click here to show and hide
3	0.89250	0.55550	0.44300
4	0.10750	0.94450	0.55700
(0,1/2,0)' + set click here to show and hide
5	0.39250	0.55550	0.44300
6	0.60750	0.94450	0.55700
(1/2,0,0)' + set click here to show and hide
7	0.89250	0.05550	0.44300
8	0.10750	0.44450	0.55700

Set of atoms in the unit cell related by symmetry with the atom H2:

Atom	x	y	z
1	0.38100	0.49000	0.25700
2	0.61900	0.01000	0.74300
(1/2,1/2,0) + set click here to show and hide
3	0.88100	0.99000	0.25700
4	0.11900	0.51000	0.74300
(0,1/2,0)' + set click here to show and hide
5	0.38100	0.99000	0.25700
6	0.61900	0.51000	0.74300
(1/2,0,0)' + set click here to show and hide
7	0.88100	0.49000	0.25700
8	0.11900	0.01000	0.74300

Set of atoms in the unit cell related by symmetry with the atom O8:

Atom	x	y	z
1	0.07800	0.39600	0.38700
2	0.92200	0.10400	0.61300
(1/2,1/2,0) + set click here to show and hide
3	0.57800	0.89600	0.38700
4	0.42200	0.60400	0.61300
(0,1/2,0)' + set click here to show and hide
5	0.07800	0.89600	0.38700
6	0.92200	0.60400	0.61300
(1/2,0,0)' + set click here to show and hide
7	0.57800	0.39600	0.38700
8	0.42200	0.10400	0.61300

Set of atoms in the unit cell related by symmetry with the atom H3:

Atom	x	y	z
1	0.09700	0.43050	0.28500
2	0.90300	0.06950	0.71500
(1/2,1/2,0) + set click here to show and hide
3	0.59700	0.93050	0.28500
4	0.40300	0.56950	0.71500
(0,1/2,0)' + set click here to show and hide
5	0.09700	0.93050	0.28500
6	0.90300	0.56950	0.71500
(1/2,0,0)' + set click here to show and hide
7	0.59700	0.43050	0.28500
8	0.40300	0.06950	0.71500

Set of atoms in the unit cell related by symmetry with the atom H4:

Atom	x	y	z
1	0.00850	0.34500	0.35900
2	0.99150	0.15500	0.64100
(1/2,1/2,0) + set click here to show and hide
3	0.50850	0.84500	0.35900
4	0.49150	0.65500	0.64100
(0,1/2,0)' + set click here to show and hide
5	0.00850	0.84500	0.35900
6	0.99150	0.65500	0.64100
(1/2,0,0)' + set click here to show and hide
7	0.50850	0.34500	0.35900
8	0.49150	0.15500	0.64100

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.23770	0.14380	0.23850	8	m_x,m_y,m_z	1.16(7)	-0.88(12)	4.00(4)	4.15

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

label	dim. small irrep	dim. full irrep	action	number of modes
mV1-	1	1	primary	3

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

Fe₂(C₂O₄)_3.4H₂O (#1.286)

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

Fe2(C2O4)3.4H2O (#1.286)

Fe₂(C₂O₄)_3.4H₂O (#1.286)