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+1/2,z,+1	{ m₀₁₀ \| 1/2 1/2 0 }
3	-x,-y,z+1/2,-1	{ 2'₀₀₁ \| 0 0 1/2 }
4	-x+1/2,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 1/2 1/2 1/2 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,z,+1	m₀₁₀
3	-x,-y,z,-1	2'₀₀₁
4	-x,y,z,-1	m'₁₀₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.13200	0.50700	0.47600	4	m_x,m_y,m_z	1.09(7)	0.0	-2.71(3)	2.92
Co2	Co	0.12620	0.01400	0.43500	4	m_x,m_y,m_z	1.09	0.0	2.71	2.92

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
P1	P	0.19020	0.07090	0.09200	4
P2	P	0.06110	0.05260	0.80380	4
P3	P	0.05420	0.46460	0.85120	4
P4	P	0.19560	0.47980	0.09630	4
Na1	Na	0.30100	0.27140	0.29700	4
Na2	Na	0.93840	0.23350	0.59800	4
Na3	Na	0.23050	0.28210	0.76300	4
Na4	Na	0.01080	0.24080	0.12400	4
O1	O	0.13930	0.10370	0.91910	4
O2	O	0.13500	0.12280	0.24240	4
O3	O	0.28260	0.11210	0.10000	4
O4	O	0.18370	0.92320	0.10950	4
O5	O	0.07310	0.90720	0.81400	4
O6	O	0.07570	0.12240	0.62860	4
O7	O	0.98710	0.10960	0.91270	4
O8	O	0.10680	0.42670	0.01670	4
O9	O	0.96670	0.39370	0.86410	4
O10	O	0.04330	0.60900	0.84300	4
O11	O	0.09290	0.40780	0.68780	4
O12	O	0.18920	0.42330	0.27820	4
O13	O	0.27170	0.41630	0.00340	4
O14	O	0.19410	0.62790	0.09200	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 Co1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.13200	0.50700	0.47600	m_x,m_y,m_z	1.09000	-2.71000
2	0.63200	0.99300	0.47600	-m_x,m_y,-m_z	-1.09000	2.71000
3	0.86800	0.49300	0.97600	m_x,m_y,-m_z	1.09000	2.71000
4	0.36800	0.00700	0.97600	-m_x,m_y,m_z	-1.09000	-2.71000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.12620	0.01400	0.43500	m_x,m_y,m_z	1.09000	2.71000
2	0.62620	0.48600	0.43500	-m_x,m_y,-m_z	-1.09000	-2.71000
3	0.87380	0.98600	0.93500	m_x,m_y,-m_z	1.09000	-2.71000
4	0.37380	0.51400	0.93500	-m_x,m_y,m_z	-1.09000	2.71000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom P1:

Atom	x	y	z
1	0.19020	0.07090	0.09200
2	0.69020	0.42910	0.09200
3	0.80980	0.92910	0.59200
4	0.30980	0.57090	0.59200

Set of atoms in the unit cell related by symmetry with the atom P2:

Atom	x	y	z
1	0.06110	0.05260	0.80380
2	0.56110	0.44740	0.80380
3	0.93890	0.94740	0.30380
4	0.43890	0.55260	0.30380

Set of atoms in the unit cell related by symmetry with the atom P3:

Atom	x	y	z
1	0.05420	0.46460	0.85120
2	0.55420	0.03540	0.85120
3	0.94580	0.53540	0.35120
4	0.44580	0.96460	0.35120

Set of atoms in the unit cell related by symmetry with the atom P4:

Atom	x	y	z
1	0.19560	0.47980	0.09630
2	0.69560	0.02020	0.09630
3	0.80440	0.52020	0.59630
4	0.30440	0.97980	0.59630

Set of atoms in the unit cell related by symmetry with the atom Na1:

Atom	x	y	z
1	0.30100	0.27140	0.29700
2	0.80100	0.22860	0.29700
3	0.69900	0.72860	0.79700
4	0.19900	0.77140	0.79700

Set of atoms in the unit cell related by symmetry with the atom Na2:

Atom	x	y	z
1	0.93840	0.23350	0.59800
2	0.43840	0.26650	0.59800
3	0.06160	0.76650	0.09800
4	0.56160	0.73350	0.09800

Set of atoms in the unit cell related by symmetry with the atom Na3:

Atom	x	y	z
1	0.23050	0.28210	0.76300
2	0.73050	0.21790	0.76300
3	0.76950	0.71790	0.26300
4	0.26950	0.78210	0.26300

Set of atoms in the unit cell related by symmetry with the atom Na4:

Atom	x	y	z
1	0.01080	0.24080	0.12400
2	0.51080	0.25920	0.12400
3	0.98920	0.75920	0.62400
4	0.48920	0.74080	0.62400

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

Atom	x	y	z
1	0.13930	0.10370	0.91910
2	0.63930	0.39630	0.91910
3	0.86070	0.89630	0.41910
4	0.36070	0.60370	0.41910

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

Atom	x	y	z
1	0.13500	0.12280	0.24240
2	0.63500	0.37720	0.24240
3	0.86500	0.87720	0.74240
4	0.36500	0.62280	0.74240

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

Atom	x	y	z
1	0.28260	0.11210	0.10000
2	0.78260	0.38790	0.10000
3	0.71740	0.88790	0.60000
4	0.21740	0.61210	0.60000

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

Atom	x	y	z
1	0.18370	0.92320	0.10950
2	0.68370	0.57680	0.10950
3	0.81630	0.07680	0.60950
4	0.31630	0.42320	0.60950

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

Atom	x	y	z
1	0.07310	0.90720	0.81400
2	0.57310	0.59280	0.81400
3	0.92690	0.09280	0.31400
4	0.42690	0.40720	0.31400

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

Atom	x	y	z
1	0.07570	0.12240	0.62860
2	0.57570	0.37760	0.62860
3	0.92430	0.87760	0.12860
4	0.42430	0.62240	0.12860

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

Atom	x	y	z
1	0.98710	0.10960	0.91270
2	0.48710	0.39040	0.91270
3	0.01290	0.89040	0.41270
4	0.51290	0.60960	0.41270

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

Atom	x	y	z
1	0.10680	0.42670	0.01670
2	0.60680	0.07330	0.01670
3	0.89320	0.57330	0.51670
4	0.39320	0.92670	0.51670

Set of atoms in the unit cell related by symmetry with the atom O9:

Atom	x	y	z
1	0.96670	0.39370	0.86410
2	0.46670	0.10630	0.86410
3	0.03330	0.60630	0.36410
4	0.53330	0.89370	0.36410

Set of atoms in the unit cell related by symmetry with the atom O10:

Atom	x	y	z
1	0.04330	0.60900	0.84300
2	0.54330	0.89100	0.84300
3	0.95670	0.39100	0.34300
4	0.45670	0.10900	0.34300

Set of atoms in the unit cell related by symmetry with the atom O11:

Atom	x	y	z
1	0.09290	0.40780	0.68780
2	0.59290	0.09220	0.68780
3	0.90710	0.59220	0.18780
4	0.40710	0.90780	0.18780

Set of atoms in the unit cell related by symmetry with the atom O12:

Atom	x	y	z
1	0.18920	0.42330	0.27820
2	0.68920	0.07670	0.27820
3	0.81080	0.57670	0.77820
4	0.31080	0.92330	0.77820

Set of atoms in the unit cell related by symmetry with the atom O13:

Atom	x	y	z
1	0.27170	0.41630	0.00340
2	0.77170	0.08370	0.00340
3	0.72830	0.58370	0.50340
4	0.22830	0.91630	0.50340

Set of atoms in the unit cell related by symmetry with the atom O14:

Atom	x	y	z
1	0.19410	0.62790	0.09200
2	0.69410	0.87210	0.09200
3	0.80590	0.37210	0.59200
4	0.30590	0.12790	0.59200

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.13200	0.50700	0.47600	4	m_x,m_y,m_z	1.09(7)	0.0	-2.71(3)	2.92
Co2	Co	0.12620	0.01400	0.43500	4	m_x,m_y,m_z	1.09	0.0	2.71	2.92

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

label	dim. small irrep	dim. full irrep	action	number of modes
mGM4	1	1	primary	6

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

Na₂CoP₂O₇ (#0.425)

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

Na2CoP2O7 (#0.425)

Na₂CoP₂O₇ (#0.425)