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+1/2,-y+1/4,-z,+1	{ 2₁₀₀ \| 1/2 1/4 0 }
3	x+1/2,y+1/2,-z+1/2,+1	{ m₀₀₁ \| 1/2 1/2 1/2 }
4	x,-y+3/4,z+1/2,+1	{ m₀₁₀ \| 0 3/4 1/2 }
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5	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
6	x+1/2,-y+3/4,-z,-1	{ 2'₁₀₀ \| 1/2 3/4 0 }
7	x+1/2,y,-z+1/2,-1	{ m'₀₀₁ \| 1/2 0 1/2 }
8	x,-y+1/4,z+1/2,-1	{ m'₀₁₀ \| 0 1/4 1/2 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,-z,+1	2₁₀₀
3	x,y,-z,+1	m₀₀₁
4	x,-y,z,+1	m₀₁₀
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'₀₀₁
8	x,-y,z,-1	m'₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
V1_1	V	0.00090	0.07255	0.22485	8	m_x,m_y,m_z	0.34(3)	0.0	0.0	0.34
V1_2	V	0.49910	0.92745	0.72485	8	m_x,m_y,m_z	0.34	0.0	0.0	0.34

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1_1	Ba	0.18098	0.49093	0.41775	8
Ba1_2	Ba	0.31902	0.50907	0.91775	8
Cd1_1	Cd	0.17880	0.43883	0.09038	8
Cd1_2	Cd	0.32120	0.56117	0.59038	8
P1_1	P	0.25220	0.19660	0.24610	8
P1_2	P	0.24780	0.80340	0.74610	8
P2_1	P	0.44240	0.39515	0.52380	8
P2_2	P	0.05760	0.60485	0.02380	8
O1_1	O	0.08970	0.33455	0.44170	8
O1_2	O	0.41030	0.66545	0.94170	8
O2_1	O	0.14820	0.40175	0.29690	8
O2_2	O	0.35180	0.59825	0.79690	8
O3_1	O	0.30440	0.44335	0.54750	8
O3_2	O	0.19560	0.55665	0.04750	8
O4_1	O	0.01190	0.07065	0.30690	8
O4_2	O	0.48810	0.92935	0.80690	8
O5_1	O	0.40240	0.31265	0.54000	8
O5_2	O	0.09760	0.68735	0.04000	8
O6_1	O	0.35340	0.24215	0.19510	8
O6_2	O	0.14660	0.75785	0.69510	8
O7_1	O	0.45790	0.40290	0.44380	8
O7_2	O	0.04210	0.59710	0.94380	8
O8_1	O	0.15770	0.24695	0.29280	8
O8_2	O	0.34230	0.75305	0.79280	8
O9_1	O	0.15820	0.14715	0.19820	8
O9_2	O	0.34180	0.85285	0.69820	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 V1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00090	0.07255	0.22485	m_x,m_y,m_z	0.34000	0.00000	0.00000
2	0.50090	0.17745	0.77515	m_x,-m_y,-m_z	0.34000	0.00000	0.00000
3	0.50090	0.57255	0.27515	-m_x,-m_y,m_z	-0.34000	0.00000	0.00000
4	0.00090	0.67745	0.72485	-m_x,m_y,-m_z	-0.34000	0.00000	0.00000
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5	0.00090	0.57255	0.22485	-m_x,-m_y,-m_z	-0.34000	0.00000	0.00000
6	0.50090	0.67745	0.77515	-m_x,m_y,m_z	-0.34000	0.00000	0.00000
7	0.50090	0.07255	0.27515	m_x,m_y,-m_z	0.34000	0.00000	0.00000
8	0.00090	0.17745	0.72485	m_x,-m_y,m_z	0.34000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom V1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.49910	0.92745	0.72485	m_x,m_y,m_z	0.34000	0.00000	0.00000
2	0.99910	0.32255	0.27515	m_x,-m_y,-m_z	0.34000	0.00000	0.00000
3	0.99910	0.42745	0.77515	-m_x,-m_y,m_z	-0.34000	0.00000	0.00000
4	0.49910	0.82255	0.22485	-m_x,m_y,-m_z	-0.34000	0.00000	0.00000
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5	0.49910	0.42745	0.72485	-m_x,-m_y,-m_z	-0.34000	0.00000	0.00000
6	0.99910	0.82255	0.27515	-m_x,m_y,m_z	-0.34000	0.00000	0.00000
7	0.99910	0.92745	0.77515	m_x,m_y,-m_z	0.34000	0.00000	0.00000
8	0.49910	0.32255	0.22485	m_x,-m_y,m_z	0.34000	0.00000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ba1_1:

Atom	x	y	z
1	0.18098	0.49093	0.41775
2	0.68098	0.75907	0.58225
3	0.68098	0.99093	0.08225
4	0.18098	0.25907	0.91775
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5	0.18098	0.99093	0.41775
6	0.68098	0.25907	0.58225
7	0.68098	0.49093	0.08225
8	0.18098	0.75907	0.91775

Set of atoms in the unit cell related by symmetry with the atom Ba1_2:

Atom	x	y	z
1	0.31902	0.50907	0.91775
2	0.81902	0.74093	0.08225
3	0.81902	0.00907	0.58225
4	0.31902	0.24093	0.41775
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5	0.31902	0.00907	0.91775
6	0.81902	0.24093	0.08225
7	0.81902	0.50907	0.58225
8	0.31902	0.74093	0.41775

Set of atoms in the unit cell related by symmetry with the atom Cd1_1:

Atom	x	y	z
1	0.17880	0.43883	0.09038
2	0.67880	0.81117	0.90962
3	0.67880	0.93883	0.40962
4	0.17880	0.31117	0.59038
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5	0.17880	0.93883	0.09038
6	0.67880	0.31117	0.90962
7	0.67880	0.43883	0.40962
8	0.17880	0.81117	0.59038

Set of atoms in the unit cell related by symmetry with the atom Cd1_2:

Atom	x	y	z
1	0.32120	0.56117	0.59038
2	0.82120	0.68883	0.40962
3	0.82120	0.06117	0.90962
4	0.32120	0.18883	0.09038
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5	0.32120	0.06117	0.59038
6	0.82120	0.18883	0.40962
7	0.82120	0.56117	0.90962
8	0.32120	0.68883	0.09038

Set of atoms in the unit cell related by symmetry with the atom P1_1:

Atom	x	y	z
1	0.25220	0.19660	0.24610
2	0.75220	0.05340	0.75390
3	0.75220	0.69660	0.25390
4	0.25220	0.55340	0.74610
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5	0.25220	0.69660	0.24610
6	0.75220	0.55340	0.75390
7	0.75220	0.19660	0.25390
8	0.25220	0.05340	0.74610

Set of atoms in the unit cell related by symmetry with the atom P1_2:

Atom	x	y	z
1	0.24780	0.80340	0.74610
2	0.74780	0.44660	0.25390
3	0.74780	0.30340	0.75390
4	0.24780	0.94660	0.24610
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5	0.24780	0.30340	0.74610
6	0.74780	0.94660	0.25390
7	0.74780	0.80340	0.75390
8	0.24780	0.44660	0.24610

Set of atoms in the unit cell related by symmetry with the atom P2_1:

Atom	x	y	z
1	0.44240	0.39515	0.52380
2	0.94240	0.85485	0.47620
3	0.94240	0.89515	0.97620
4	0.44240	0.35485	0.02380
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5	0.44240	0.89515	0.52380
6	0.94240	0.35485	0.47620
7	0.94240	0.39515	0.97620
8	0.44240	0.85485	0.02380

Set of atoms in the unit cell related by symmetry with the atom P2_2:

Atom	x	y	z
1	0.05760	0.60485	0.02380
2	0.55760	0.64515	0.97620
3	0.55760	0.10485	0.47620
4	0.05760	0.14515	0.52380
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5	0.05760	0.10485	0.02380
6	0.55760	0.14515	0.97620
7	0.55760	0.60485	0.47620
8	0.05760	0.64515	0.52380

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

Atom	x	y	z
1	0.08970	0.33455	0.44170
2	0.58970	0.91545	0.55830
3	0.58970	0.83455	0.05830
4	0.08970	0.41545	0.94170
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5	0.08970	0.83455	0.44170
6	0.58970	0.41545	0.55830
7	0.58970	0.33455	0.05830
8	0.08970	0.91545	0.94170

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

Atom	x	y	z
1	0.41030	0.66545	0.94170
2	0.91030	0.58455	0.05830
3	0.91030	0.16545	0.55830
4	0.41030	0.08455	0.44170
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5	0.41030	0.16545	0.94170
6	0.91030	0.08455	0.05830
7	0.91030	0.66545	0.55830
8	0.41030	0.58455	0.44170

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

Atom	x	y	z
1	0.14820	0.40175	0.29690
2	0.64820	0.84825	0.70310
3	0.64820	0.90175	0.20310
4	0.14820	0.34825	0.79690
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5	0.14820	0.90175	0.29690
6	0.64820	0.34825	0.70310
7	0.64820	0.40175	0.20310
8	0.14820	0.84825	0.79690

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

Atom	x	y	z
1	0.35180	0.59825	0.79690
2	0.85180	0.65175	0.20310
3	0.85180	0.09825	0.70310
4	0.35180	0.15175	0.29690
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5	0.35180	0.09825	0.79690
6	0.85180	0.15175	0.20310
7	0.85180	0.59825	0.70310
8	0.35180	0.65175	0.29690

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

Atom	x	y	z
1	0.30440	0.44335	0.54750
2	0.80440	0.80665	0.45250
3	0.80440	0.94335	0.95250
4	0.30440	0.30665	0.04750
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5	0.30440	0.94335	0.54750
6	0.80440	0.30665	0.45250
7	0.80440	0.44335	0.95250
8	0.30440	0.80665	0.04750

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

Atom	x	y	z
1	0.19560	0.55665	0.04750
2	0.69560	0.69335	0.95250
3	0.69560	0.05665	0.45250
4	0.19560	0.19335	0.54750
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5	0.19560	0.05665	0.04750
6	0.69560	0.19335	0.95250
7	0.69560	0.55665	0.45250
8	0.19560	0.69335	0.54750

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

Atom	x	y	z
1	0.01190	0.07065	0.30690
2	0.51190	0.17935	0.69310
3	0.51190	0.57065	0.19310
4	0.01190	0.67935	0.80690
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5	0.01190	0.57065	0.30690
6	0.51190	0.67935	0.69310
7	0.51190	0.07065	0.19310
8	0.01190	0.17935	0.80690

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

Atom	x	y	z
1	0.48810	0.92935	0.80690
2	0.98810	0.32065	0.19310
3	0.98810	0.42935	0.69310
4	0.48810	0.82065	0.30690
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5	0.48810	0.42935	0.80690
6	0.98810	0.82065	0.19310
7	0.98810	0.92935	0.69310
8	0.48810	0.32065	0.30690

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

Atom	x	y	z
1	0.40240	0.31265	0.54000
2	0.90240	0.93735	0.46000
3	0.90240	0.81265	0.96000
4	0.40240	0.43735	0.04000
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5	0.40240	0.81265	0.54000
6	0.90240	0.43735	0.46000
7	0.90240	0.31265	0.96000
8	0.40240	0.93735	0.04000

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

Atom	x	y	z
1	0.09760	0.68735	0.04000
2	0.59760	0.56265	0.96000
3	0.59760	0.18735	0.46000
4	0.09760	0.06265	0.54000
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5	0.09760	0.18735	0.04000
6	0.59760	0.06265	0.96000
7	0.59760	0.68735	0.46000
8	0.09760	0.56265	0.54000

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

Atom	x	y	z
1	0.35340	0.24215	0.19510
2	0.85340	0.00785	0.80490
3	0.85340	0.74215	0.30490
4	0.35340	0.50785	0.69510
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5	0.35340	0.74215	0.19510
6	0.85340	0.50785	0.80490
7	0.85340	0.24215	0.30490
8	0.35340	0.00785	0.69510

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

Atom	x	y	z
1	0.14660	0.75785	0.69510
2	0.64660	0.49215	0.30490
3	0.64660	0.25785	0.80490
4	0.14660	0.99215	0.19510
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5	0.14660	0.25785	0.69510
6	0.64660	0.99215	0.30490
7	0.64660	0.75785	0.80490
8	0.14660	0.49215	0.19510

Set of atoms in the unit cell related by symmetry with the atom O7_1:

Atom	x	y	z
1	0.45790	0.40290	0.44380
2	0.95790	0.84710	0.55620
3	0.95790	0.90290	0.05620
4	0.45790	0.34710	0.94380
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5	0.45790	0.90290	0.44380
6	0.95790	0.34710	0.55620
7	0.95790	0.40290	0.05620
8	0.45790	0.84710	0.94380

Set of atoms in the unit cell related by symmetry with the atom O7_2:

Atom	x	y	z
1	0.04210	0.59710	0.94380
2	0.54210	0.65290	0.05620
3	0.54210	0.09710	0.55620
4	0.04210	0.15290	0.44380
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5	0.04210	0.09710	0.94380
6	0.54210	0.15290	0.05620
7	0.54210	0.59710	0.55620
8	0.04210	0.65290	0.44380

Set of atoms in the unit cell related by symmetry with the atom O8_1:

Atom	x	y	z
1	0.15770	0.24695	0.29280
2	0.65770	0.00305	0.70720
3	0.65770	0.74695	0.20720
4	0.15770	0.50305	0.79280
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5	0.15770	0.74695	0.29280
6	0.65770	0.50305	0.70720
7	0.65770	0.24695	0.20720
8	0.15770	0.00305	0.79280

Set of atoms in the unit cell related by symmetry with the atom O8_2:

Atom	x	y	z
1	0.34230	0.75305	0.79280
2	0.84230	0.49695	0.20720
3	0.84230	0.25305	0.70720
4	0.34230	0.99695	0.29280
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5	0.34230	0.25305	0.79280
6	0.84230	0.99695	0.20720
7	0.84230	0.75305	0.70720
8	0.34230	0.49695	0.29280

Set of atoms in the unit cell related by symmetry with the atom O9_1:

Atom	x	y	z
1	0.15820	0.14715	0.19820
2	0.65820	0.10285	0.80180
3	0.65820	0.64715	0.30180
4	0.15820	0.60285	0.69820
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5	0.15820	0.64715	0.19820
6	0.65820	0.60285	0.80180
7	0.65820	0.14715	0.30180
8	0.15820	0.10285	0.69820

Set of atoms in the unit cell related by symmetry with the atom O9_2:

Atom	x	y	z
1	0.34180	0.85285	0.69820
2	0.84180	0.39715	0.30180
3	0.84180	0.35285	0.80180
4	0.34180	0.89715	0.19820
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5	0.34180	0.35285	0.69820
6	0.84180	0.89715	0.30180
7	0.84180	0.85285	0.80180
8	0.34180	0.39715	0.19820

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
V1_1	V	0.00090	0.07255	0.22485	8	m_x,m_y,m_z	0.34(3)	0.0	0.0	0.34
V1_2	V	0.49910	0.92745	0.72485	8	m_x,m_y,m_z	0.34	0.0	0.0	0.34

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mY1	2	2	special	primary	2

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

BaCdVO(PO₄)₂ (#1.298)

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

BaCdVO(PO4)2 (#1.298)

BaCdVO(PO₄)₂ (#1.298)