MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x,y+1/2,-z,-1	{ 2'₀₁₀ \| 0 1/2 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,-1	2'₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.50000	0.00195	0.50000	1.00000	2	m_x,m_y,m_z	-1.85708	0.0	-1.85708	2.63
Mn2	Mn	0.00000	0.75195	0.00000	1.00000	2	m_x,m_y,m_z	1.85708	0.0	1.85708	2.63
Mn3	Mn	0.50000	0.75290	0.00000	1.00000	2	m_x,m_y,m_z	-1.85708	0.0	-1.85708	2.63
Mn4	Mn	0.00000	0.00290	0.50000	1.00000	2	m_x,m_y,m_z	1.85708	0.0	1.85708	2.63
Mn5	Mn	0.00000	0.76190	0.50000	1.00000	2	m_x,m_y,m_z	-1.85708	0.0	-1.85708	2.63
Mn6	Mn	0.50000	0.01190	0.00000	1.00000	2	m_x,m_y,m_z	1.85708	0.0	1.85708	2.63
Mn7	Mn	0.75719	0.87780	0.75830	1.00000	2	m_x,m_y,m_z	-0.39813	2.64937	0.39812	2.71
Mn8	Mn	0.24281	0.87780	0.24170	1.00000	2	m_x,m_y,m_z	0.39813	2.64937	-0.39812	2.71
Mn9	Mn	0.24182	0.12860	0.24220	1.00000	2	m_x,m_y,m_z	0.39813	-2.64937	-0.39812	2.71
Mn10	Mn	0.75818	0.12860	0.75780	1.00000	2	m_x,m_y,m_z	-0.39813	-2.64937	0.39812	2.71
Mn11	Mn	0.74281	0.12780	0.25830	1.00000	2	m_x,m_y,m_z	0.39813	2.64937	0.39812	2.71
Mn12	Mn	0.25719	0.12780	0.74170	1.00000	2	m_x,m_y,m_z	-0.39813	2.64937	-0.39812	2.71
Mn13	Mn	0.25818	0.87860	0.74220	1.00000	2	m_x,m_y,m_z	-0.39813	-2.64937	-0.39812	2.71
Mn14	Mn	0.74182	0.87860	0.25780	1.00000	2	m_x,m_y,m_z	0.39813	-2.64937	0.39812	2.71

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Hg1	Hg	0.00000	-0.00035	0.00000		2
Hg2	Hg	0.50000	0.24965	0.50000	0.63780	2
Na1	Na	0.00000	-0.00035	0.00000	0.30000	2
Na2	Na	0.50000	0.24965	0.50000	0.30000	2
O1	O	0.71493	0.00705	0.84927	1.00000	2
O2	O	0.28507	0.00705	0.15073	1.00000	2
O3	O	0.16013	0.24235	0.29416	1.00000	2
O4	O	0.83987	0.24235	0.70584	1.00000	2
O5	O	0.66013	-0.00765	0.20584	1.00000	2
O6	O	0.33987	-0.00765	0.79416	1.00000	2
O7	O	0.21493	0.75705	0.65073	1.00000	2
O8	O	0.78507	0.75705	0.34927	1.00000	2
O9	O	0.81147	0.83907	0.01130	1.00000	2
O10	O	0.18853	0.83907	-0.01130	1.00000	2
O11	O	0.31147	0.08907	0.48870	1.00000	2
O12	O	0.68853	0.08907	0.51130	1.00000	2
O13	O	0.82027	0.15648	0.01330	1.00000	2
O14	O	0.17973	0.15648	-0.01330	1.00000	2
O15	O	0.32027	-0.09352	0.48670	1.00000	2
O16	O	0.67973	-0.09352	0.51330	1.00000	2
O17	O	0.00590	-0.09092	0.68353	1.00000	2
O18	O	-0.00590	-0.09092	0.31647	1.00000	2
O19	O	0.49410	0.15908	0.18353	1.00000	2
O20	O	0.50590	0.15908	0.81647	1.00000	2
O21	O	-0.00900	0.08697	0.30167	1.00000	2
O22	O	0.00900	0.08697	0.69833	1.00000	2
O23	O	0.50900	0.83697	0.80167	1.00000	2
O24	O	0.49100	0.83697	0.19833	1.00000	2

Atom	x	y	z
1	0.00000	0.99965	0.00000
2	0.00000	0.49965	0.00000

Atom	x	y	z
1	0.50000	0.24965	0.50000
2	0.50000	0.74965	0.50000

Atom	x	y	z
1	0.00000	0.99965	0.00000
2	0.00000	0.49965	0.00000

Atom	x	y	z
1	0.50000	0.24965	0.50000
2	0.50000	0.74965	0.50000

Atom	x	y	z
1	0.71493	0.00705	0.84927
2	0.28507	0.50705	0.15073

Atom	x	y	z
1	0.28507	0.00705	0.15073
2	0.71493	0.50705	0.84927

Atom	x	y	z
1	0.16013	0.24235	0.29416
2	0.83987	0.74235	0.70584

Atom	x	y	z
1	0.83987	0.24235	0.70584
2	0.16013	0.74235	0.29416

Atom	x	y	z
1	0.66013	0.99235	0.20584
2	0.33987	0.49235	0.79416

Atom	x	y	z
1	0.33987	0.99235	0.79416
2	0.66013	0.49235	0.20584

Atom	x	y	z
1	0.21493	0.75705	0.65073
2	0.78507	0.25705	0.34927

Atom	x	y	z
1	0.78507	0.75705	0.34927
2	0.21493	0.25705	0.65073

Atom	x	y	z
1	0.81147	0.83907	0.01130
2	0.18853	0.33907	0.98870

Atom	x	y	z
1	0.18853	0.83907	0.98870
2	0.81147	0.33907	0.01130

Atom	x	y	z
1	0.31147	0.08907	0.48870
2	0.68853	0.58907	0.51130

Atom	x	y	z
1	0.68853	0.08907	0.51130
2	0.31147	0.58907	0.48870

Atom	x	y	z
1	0.82027	0.15648	0.01330
2	0.17973	0.65648	0.98670

Atom	x	y	z
1	0.17973	0.15648	0.98670
2	0.82027	0.65648	0.01330

Atom	x	y	z
1	0.32027	0.90648	0.48670
2	0.67973	0.40648	0.51330

Atom	x	y	z
1	0.67973	0.90648	0.51330
2	0.32027	0.40648	0.48670

Atom	x	y	z
1	0.00590	0.90908	0.68353
2	0.99410	0.40908	0.31647

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

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.50000	0.00195	0.50000	2	m_x,m_y,m_z	-1.85708	0.0	-1.85708	2.63
Mn2	Mn	0.00000	0.75195	0.00000	2	m_x,m_y,m_z	1.85708	0.0	1.85708	2.63
Mn3	Mn	0.50000	0.75290	0.00000	2	m_x,m_y,m_z	-1.85708	0.0	-1.85708	2.63
Mn4	Mn	0.00000	0.00290	0.50000	2	m_x,m_y,m_z	1.85708	0.0	1.85708	2.63
Mn5	Mn	0.00000	0.76190	0.50000	2	m_x,m_y,m_z	-1.85708	0.0	-1.85708	2.63
Mn6	Mn	0.50000	0.01190	0.00000	2	m_x,m_y,m_z	1.85708	0.0	1.85708	2.63
Mn7	Mn	0.75719	0.87780	0.75830	2	m_x,m_y,m_z	-0.39813	2.64937	0.39812	2.71
Mn8	Mn	0.24281	0.87780	0.24170	2	m_x,m_y,m_z	0.39813	2.64937	-0.39812	2.71
Mn9	Mn	0.24182	0.12860	0.24220	2	m_x,m_y,m_z	0.39813	-2.64937	-0.39812	2.71
Mn10	Mn	0.75818	0.12860	0.75780	2	m_x,m_y,m_z	-0.39813	-2.64937	0.39812	2.71
Mn11	Mn	0.74281	0.12780	0.25830	2	m_x,m_y,m_z	0.39813	2.64937	0.39812	2.71
Mn12	Mn	0.25719	0.12780	0.74170	2	m_x,m_y,m_z	-0.39813	2.64937	-0.39812	2.71
Mn13	Mn	0.25818	0.87860	0.74220	2	m_x,m_y,m_z	-0.39813	-2.64937	-0.39812	2.71
Mn14	Mn	0.74182	0.87860	0.25780	2	m_x,m_y,m_z	0.39813	-2.64937	0.39812	2.71

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

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given:

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00195	0.50000	m_x,m_y,m_z	-1.85708	0.00000	-1.85708
2	0.50000	0.50195	0.50000	m_x,-m_y,m_z	-1.85708	0.00000	-1.85708

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.75195	0.00000	m_x,m_y,m_z	1.85708	0.00000	1.85708
2	0.00000	0.25195	0.00000	m_x,-m_y,m_z	1.85708	0.00000	1.85708

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.75290	0.00000	m_x,m_y,m_z	-1.85708	0.00000	-1.85708
2	0.50000	0.25290	0.00000	m_x,-m_y,m_z	-1.85708	0.00000	-1.85708

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn4:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00290	0.50000	m_x,m_y,m_z	1.85708	0.00000	1.85708
2	0.00000	0.50290	0.50000	m_x,-m_y,m_z	1.85708	0.00000	1.85708

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn5:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.76190	0.50000	m_x,m_y,m_z	-1.85708	0.00000	-1.85708
2	0.00000	0.26190	0.50000	m_x,-m_y,m_z	-1.85708	0.00000	-1.85708

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn6:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.01190	0.00000	m_x,m_y,m_z	1.85708	0.00000	1.85708
2	0.50000	0.51190	0.00000	m_x,-m_y,m_z	1.85708	0.00000	1.85708

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn7:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.75719	0.87780	0.75830	m_x,m_y,m_z	-0.39813	2.64937	0.39812
2	0.24281	0.37780	0.24170	m_x,-m_y,m_z	-0.39813	-2.64937	0.39812

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn8:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.24281	0.87780	0.24170	m_x,m_y,m_z	0.39813	2.64937	-0.39812
2	0.75719	0.37780	0.75830	m_x,-m_y,m_z	0.39813	-2.64937	-0.39812

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn9:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.24182	0.12860	0.24220	m_x,m_y,m_z	0.39813	-2.64937	-0.39812
2	0.75818	0.62860	0.75780	m_x,-m_y,m_z	0.39813	2.64937	-0.39812

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn10:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.75818	0.12860	0.75780	m_x,m_y,m_z	-0.39813	-2.64937	0.39812
2	0.24182	0.62860	0.24220	m_x,-m_y,m_z	-0.39813	2.64937	0.39812

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn11:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.74281	0.12780	0.25830	m_x,m_y,m_z	0.39813	2.64937	0.39812
2	0.25719	0.62780	0.74170	m_x,-m_y,m_z	0.39813	-2.64937	0.39812

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn12:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25719	0.12780	0.74170	m_x,m_y,m_z	-0.39813	2.64937	-0.39812
2	0.74281	0.62780	0.25830	m_x,-m_y,m_z	-0.39813	-2.64937	-0.39812

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn13:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25818	0.87860	0.74220	m_x,m_y,m_z	-0.39813	-2.64937	-0.39812
2	0.74182	0.37860	0.25780	m_x,-m_y,m_z	-0.39813	2.64937	-0.39812

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn14:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.74182	0.87860	0.25780	m_x,m_y,m_z	0.39813	-2.64937	0.39812
2	0.25818	0.37860	0.74220	m_x,-m_y,m_z	0.39813	2.64937	0.39812

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

Hg_0.7Na_0.3Mn₇O₁₂ (#2.122)

label	dim. small irrep	dim. full irrep	action
mGM2	1	1	primary
mZ1	1	1	primary

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

Hg0.7Na0.3Mn7O12 (#2.122)

Hg_0.7Na_0.3Mn₇O₁₂ (#2.122)