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	{ -1 \| 0 }
(1/2,0,0)' + set click here to show and hide
3	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
4	-x+1/2,-y,-z,-1	{ -1' \| 1/2 0 0 }
(0,1/2,1/2) + set click here to show and hide
5	x,y+1/2,z+1/2,+1	{ 1 \| 0 1/2 1/2 }
6	-x,-y+1/2,-z+1/2,+1	{ -1 \| 0 1/2 1/2 }
(1/2,1/2,1/2)' + set click here to show and hide
7	x+1/2,y+1/2,z+1/2,-1	{ 1' \| 1/2 1/2 1/2 }
8	-x+1/2,-y+1/2,-z+1/2,-1	{ -1' \| 1/2 1/2 1/2 }
(1/2,0,1/2) + set click here to show and hide
9	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
10	-x+1/2,-y,-z+1/2,+1	{ -1 \| 1/2 0 1/2 }
(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,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }
(1/2,1/2,0) + set click here to show and hide
13	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
14	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
(0,1/2,0)' + set click here to show and hide
15	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
16	-x,-y+1/2,-z,-1	{ -1' \| 0 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	0.16393	0.15294	0.20175	16	m_x,m_y,m_z	3.32(5)	-0.21(5)	2.15(6)	4.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
V1	V	0.09440	0.87865	0.16708	16
Mo1	Mo	0.89795	0.10630	0.05395	16
O1	O	0.14785	0.00455	0.19440	16
O2	O	0.19680	0.81200	0.21335	16
O3	O	0.08300	0.85325	0.05225	16
O4	O	0.04300	0.15715	0.79400	16
O5	O	0.78210	0.15580	0.10860	16
O6	O	0.03450	0.14990	0.11600	16
O7	O	0.13875	0.02690	-0.04690	16

[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	0.16393	0.15294	0.20175	m_x,m_y,m_z	3.32000	-0.21000	2.15000
2	0.83607	0.84706	0.79825	m_x,m_y,m_z	3.32000	-0.21000	2.15000
(1/2,0,0)' + set click here to show and hide
3	0.66393	0.15294	0.20175	-m_x,-m_y,-m_z	-3.32000	0.21000	-2.15000
4	0.33607	0.84706	0.79825	-m_x,-m_y,-m_z	-3.32000	0.21000	-2.15000
(0,1/2,1/2) + set click here to show and hide
5	0.16393	0.65294	0.70175	m_x,m_y,m_z	3.32000	-0.21000	2.15000
6	0.83607	0.34706	0.29825	m_x,m_y,m_z	3.32000	-0.21000	2.15000
(1/2,1/2,1/2)' + set click here to show and hide
7	0.66393	0.65294	0.70175	-m_x,-m_y,-m_z	-3.32000	0.21000	-2.15000
8	0.33607	0.34706	0.29825	-m_x,-m_y,-m_z	-3.32000	0.21000	-2.15000
(1/2,0,1/2) + set click here to show and hide
9	0.66393	0.15294	0.70175	m_x,m_y,m_z	3.32000	-0.21000	2.15000
10	0.33607	0.84706	0.29825	m_x,m_y,m_z	3.32000	-0.21000	2.15000
(0,0,1/2)' + set click here to show and hide
11	0.16393	0.15294	0.70175	-m_x,-m_y,-m_z	-3.32000	0.21000	-2.15000
12	0.83607	0.84706	0.29825	-m_x,-m_y,-m_z	-3.32000	0.21000	-2.15000
(1/2,1/2,0) + set click here to show and hide
13	0.66393	0.65294	0.20175	m_x,m_y,m_z	3.32000	-0.21000	2.15000
14	0.33607	0.34706	0.79825	m_x,m_y,m_z	3.32000	-0.21000	2.15000
(0,1/2,0)' + set click here to show and hide
15	0.16393	0.65294	0.20175	-m_x,-m_y,-m_z	-3.32000	0.21000	-2.15000
16	0.83607	0.34706	0.79825	-m_x,-m_y,-m_z	-3.32000	0.21000	-2.15000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom V1:

Atom	x	y	z
1	0.09440	0.87865	0.16708
2	0.90560	0.12135	0.83292
(1/2,0,0)' + set click here to show and hide
3	0.59440	0.87865	0.16708
4	0.40560	0.12135	0.83292
(0,1/2,1/2) + set click here to show and hide
5	0.09440	0.37865	0.66708
6	0.90560	0.62135	0.33292
(1/2,1/2,1/2)' + set click here to show and hide
7	0.59440	0.37865	0.66708
8	0.40560	0.62135	0.33292
(1/2,0,1/2) + set click here to show and hide
9	0.59440	0.87865	0.66708
10	0.40560	0.12135	0.33292
(0,0,1/2)' + set click here to show and hide
11	0.09440	0.87865	0.66708
12	0.90560	0.12135	0.33292
(1/2,1/2,0) + set click here to show and hide
13	0.59440	0.37865	0.16708
14	0.40560	0.62135	0.83292
(0,1/2,0)' + set click here to show and hide
15	0.09440	0.37865	0.16708
16	0.90560	0.62135	0.83292

Set of atoms in the unit cell related by symmetry with the atom Mo1:

Atom	x	y	z
1	0.89795	0.10630	0.05395
2	0.10205	0.89370	0.94605
(1/2,0,0)' + set click here to show and hide
3	0.39795	0.10630	0.05395
4	0.60205	0.89370	0.94605
(0,1/2,1/2) + set click here to show and hide
5	0.89795	0.60630	0.55395
6	0.10205	0.39370	0.44605
(1/2,1/2,1/2)' + set click here to show and hide
7	0.39795	0.60630	0.55395
8	0.60205	0.39370	0.44605
(1/2,0,1/2) + set click here to show and hide
9	0.39795	0.10630	0.55395
10	0.60205	0.89370	0.44605
(0,0,1/2)' + set click here to show and hide
11	0.89795	0.10630	0.55395
12	0.10205	0.89370	0.44605
(1/2,1/2,0) + set click here to show and hide
13	0.39795	0.60630	0.05395
14	0.60205	0.39370	0.94605
(0,1/2,0)' + set click here to show and hide
15	0.89795	0.60630	0.05395
16	0.10205	0.39370	0.94605

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

Atom	x	y	z
1	0.14785	0.00455	0.19440
2	0.85215	0.99545	0.80560
(1/2,0,0)' + set click here to show and hide
3	0.64785	0.00455	0.19440
4	0.35215	0.99545	0.80560
(0,1/2,1/2) + set click here to show and hide
5	0.14785	0.50455	0.69440
6	0.85215	0.49545	0.30560
(1/2,1/2,1/2)' + set click here to show and hide
7	0.64785	0.50455	0.69440
8	0.35215	0.49545	0.30560
(1/2,0,1/2) + set click here to show and hide
9	0.64785	0.00455	0.69440
10	0.35215	0.99545	0.30560
(0,0,1/2)' + set click here to show and hide
11	0.14785	0.00455	0.69440
12	0.85215	0.99545	0.30560
(1/2,1/2,0) + set click here to show and hide
13	0.64785	0.50455	0.19440
14	0.35215	0.49545	0.80560
(0,1/2,0)' + set click here to show and hide
15	0.14785	0.50455	0.19440
16	0.85215	0.49545	0.80560

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

Atom	x	y	z
1	0.19680	0.81200	0.21335
2	0.80320	0.18800	0.78665
(1/2,0,0)' + set click here to show and hide
3	0.69680	0.81200	0.21335
4	0.30320	0.18800	0.78665
(0,1/2,1/2) + set click here to show and hide
5	0.19680	0.31200	0.71335
6	0.80320	0.68800	0.28665
(1/2,1/2,1/2)' + set click here to show and hide
7	0.69680	0.31200	0.71335
8	0.30320	0.68800	0.28665
(1/2,0,1/2) + set click here to show and hide
9	0.69680	0.81200	0.71335
10	0.30320	0.18800	0.28665
(0,0,1/2)' + set click here to show and hide
11	0.19680	0.81200	0.71335
12	0.80320	0.18800	0.28665
(1/2,1/2,0) + set click here to show and hide
13	0.69680	0.31200	0.21335
14	0.30320	0.68800	0.78665
(0,1/2,0)' + set click here to show and hide
15	0.19680	0.31200	0.21335
16	0.80320	0.68800	0.78665

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

Atom	x	y	z
1	0.08300	0.85325	0.05225
2	0.91700	0.14675	0.94775
(1/2,0,0)' + set click here to show and hide
3	0.58300	0.85325	0.05225
4	0.41700	0.14675	0.94775
(0,1/2,1/2) + set click here to show and hide
5	0.08300	0.35325	0.55225
6	0.91700	0.64675	0.44775
(1/2,1/2,1/2)' + set click here to show and hide
7	0.58300	0.35325	0.55225
8	0.41700	0.64675	0.44775
(1/2,0,1/2) + set click here to show and hide
9	0.58300	0.85325	0.55225
10	0.41700	0.14675	0.44775
(0,0,1/2)' + set click here to show and hide
11	0.08300	0.85325	0.55225
12	0.91700	0.14675	0.44775
(1/2,1/2,0) + set click here to show and hide
13	0.58300	0.35325	0.05225
14	0.41700	0.64675	0.94775
(0,1/2,0)' + set click here to show and hide
15	0.08300	0.35325	0.05225
16	0.91700	0.64675	0.94775

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

Atom	x	y	z
1	0.04300	0.15715	0.79400
2	0.95700	0.84285	0.20600
(1/2,0,0)' + set click here to show and hide
3	0.54300	0.15715	0.79400
4	0.45700	0.84285	0.20600
(0,1/2,1/2) + set click here to show and hide
5	0.04300	0.65715	0.29400
6	0.95700	0.34285	0.70600
(1/2,1/2,1/2)' + set click here to show and hide
7	0.54300	0.65715	0.29400
8	0.45700	0.34285	0.70600
(1/2,0,1/2) + set click here to show and hide
9	0.54300	0.15715	0.29400
10	0.45700	0.84285	0.70600
(0,0,1/2)' + set click here to show and hide
11	0.04300	0.15715	0.29400
12	0.95700	0.84285	0.70600
(1/2,1/2,0) + set click here to show and hide
13	0.54300	0.65715	0.79400
14	0.45700	0.34285	0.20600
(0,1/2,0)' + set click here to show and hide
15	0.04300	0.65715	0.79400
16	0.95700	0.34285	0.20600

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

Atom	x	y	z
1	0.78210	0.15580	0.10860
2	0.21790	0.84420	0.89140
(1/2,0,0)' + set click here to show and hide
3	0.28210	0.15580	0.10860
4	0.71790	0.84420	0.89140
(0,1/2,1/2) + set click here to show and hide
5	0.78210	0.65580	0.60860
6	0.21790	0.34420	0.39140
(1/2,1/2,1/2)' + set click here to show and hide
7	0.28210	0.65580	0.60860
8	0.71790	0.34420	0.39140
(1/2,0,1/2) + set click here to show and hide
9	0.28210	0.15580	0.60860
10	0.71790	0.84420	0.39140
(0,0,1/2)' + set click here to show and hide
11	0.78210	0.15580	0.60860
12	0.21790	0.84420	0.39140
(1/2,1/2,0) + set click here to show and hide
13	0.28210	0.65580	0.10860
14	0.71790	0.34420	0.89140
(0,1/2,0)' + set click here to show and hide
15	0.78210	0.65580	0.10860
16	0.21790	0.34420	0.89140

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

Atom	x	y	z
1	0.03450	0.14990	0.11600
2	0.96550	0.85010	0.88400
(1/2,0,0)' + set click here to show and hide
3	0.53450	0.14990	0.11600
4	0.46550	0.85010	0.88400
(0,1/2,1/2) + set click here to show and hide
5	0.03450	0.64990	0.61600
6	0.96550	0.35010	0.38400
(1/2,1/2,1/2)' + set click here to show and hide
7	0.53450	0.64990	0.61600
8	0.46550	0.35010	0.38400
(1/2,0,1/2) + set click here to show and hide
9	0.53450	0.14990	0.61600
10	0.46550	0.85010	0.38400
(0,0,1/2)' + set click here to show and hide
11	0.03450	0.14990	0.61600
12	0.96550	0.85010	0.38400
(1/2,1/2,0) + set click here to show and hide
13	0.53450	0.64990	0.11600
14	0.46550	0.35010	0.88400
(0,1/2,0)' + set click here to show and hide
15	0.03450	0.64990	0.11600
16	0.96550	0.35010	0.88400

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

Atom	x	y	z
1	0.13875	0.02690	0.95310
2	0.86125	0.97310	0.04690
(1/2,0,0)' + set click here to show and hide
3	0.63875	0.02690	0.95310
4	0.36125	0.97310	0.04690
(0,1/2,1/2) + set click here to show and hide
5	0.13875	0.52690	0.45310
6	0.86125	0.47310	0.54690
(1/2,1/2,1/2)' + set click here to show and hide
7	0.63875	0.52690	0.45310
8	0.36125	0.47310	0.54690
(1/2,0,1/2) + set click here to show and hide
9	0.63875	0.02690	0.45310
10	0.36125	0.97310	0.54690
(0,0,1/2)' + set click here to show and hide
11	0.13875	0.02690	0.45310
12	0.86125	0.97310	0.54690
(1/2,1/2,0) + set click here to show and hide
13	0.63875	0.52690	0.95310
14	0.36125	0.47310	0.04690
(0,1/2,0)' + set click here to show and hide
15	0.13875	0.52690	0.95310
16	0.86125	0.47310	0.04690

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.16393	0.15294	0.20175	16	m_x,m_y,m_z	3.32(5)	-0.21(5)	2.15(6)	4.00

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mR1+	1	1	special	primary	3

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

FeVMoO₇ (#1.805)

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

FeVMoO7 (#1.805)

FeVMoO₇ (#1.805)