MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x+1/2,y+1/2,-z,+1	{ 2₀₁₀ \| 1/2 1/2 0 }
3	x+1/2,-y+1/2,-z,-1	{ 2'₁₀₀ \| 1/2 1/2 0 }
4	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
3	x,-y,-z,-1	2'₁₀₀
4	-x,-y,z,-1	2'₀₀₁

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	\|M\|
Co1	Co	0.00000	0.00000	0.001	2	m_x,m_y,0	2.79(1)	-0.07(6)	2.79
Co2	Co	0.0066	0.3352	0.017	4	m_x,m_y,m_z	2.79	-0.07	2.79
Co3	Co	0.1628	0.1636	-0.006	4	m_x,m_y,m_z	-2.79	-0.07	2.79
Co4	Co	0.3336	0.0018	0.015	4	m_x,m_y,m_z	2.79	-0.07	2.79
Co5	Co	0.3340	0.3313	0.0017	4	m_x,m_y,m_z	2.79	-0.07	2.79

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ca1	Ca	0.10860	0.05270	0.50300	4
Ca2	Ca	0.11450	0.39230	0.49000	4
Ca3	Ca	0.05540	0.22450	0.49900	4
Ca4	Ca	0.27460	0.11140	0.51500	4
Ca5	Ca	0.26770	0.45110	0.47500	4
Ca6	Ca	0.21530	0.26640	0.51900	4
Ca7	Ca	0.44090	0.05250	0.51700	4
Ca8	Ca	0.45050	0.39730	0.51600	4
Ca9	Ca	0.40280	0.21150	0.49200	4
Si1	Si	0.04180	0.12140	0.93400	4
Si2	Si	0.05060	0.45680	0.92000	4
Si3	Si	0.12410	0.28620	0.08100	4
Si4	Si	0.21240	0.04110	0.07100	4
Si5	Si	0.21600	0.38120	0.03200	4
Si6	Si	0.28270	0.20810	0.96300	4
Si7	Si	0.38270	0.12340	0.94400	4
Si8	Si	0.38300	0.45490	0.93500	4
Si9	Si	0.45200	0.28110	0.05600	4
O1	O	0.99170	0.16470	0.82200	4
O2	O	0.17400	0.98540	0.17420	4
O3	O	0.17970	0.32650	0.17240	4
O4	O	0.34010	0.17580	0.83600	4
O5	O	0.00000	0.50000	0.79500	2
O6	O	0.04230	0.11830	0.24500	4
O7	O	0.05050	0.45820	0.23540	4
O8	O	0.12470	0.28220	0.75100	4
O9	O	0.21650	0.04360	0.75400	4
O10	O	0.20800	0.38470	0.72200	4
O11	O	0.27760	0.20320	0.27380	4
O12	O	0.38630	0.12090	0.25800	4
O13	O	0.38620	0.45840	0.26300	4
O14	O	0.46240	0.27600	0.74430	4
O15	O	0.02500	0.06200	0.77100	4
O16	O	0.09860	0.14350	0.77300	4
O17	O	0.03420	0.39550	0.77700	4
O18	O	0.10390	0.47980	0.75350	4
O19	O	0.13880	0.22660	0.22490	4
O20	O	0.07110	0.31250	0.22390	4
O21	O	0.18260	0.09530	0.22390	4
O22	O	0.27130	0.03010	0.23000	4
O23	O	0.18640	0.43570	0.20640	4
O24	O	0.27790	0.37940	0.17060	4
O25	O	0.28700	0.27280	0.83380	4
O26	O	0.23010	0.17990	0.79530	4
O27	O	0.35620	0.06740	0.79150	4
O28	O	0.44030	0.13710	0.78770	4
O29	O	0.38090	0.38790	0.83100	4
O30	O	0.43500	0.48210	0.78200	4
O31	O	0.48410	0.22760	0.21850	4
O32	O	0.39180	0.28310	0.18090	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_y	M_z
1	0.00000	0.00000	0.00100	m_x,m_y,0	2.79000	-0.07000	0.00000
2	0.50000	0.50000	0.99900	-m_x,m_y,0	-2.79000	-0.07000	0.00000

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_y
1	0.00660	0.33520	0.01700	m_x,m_y,m_z	2.79000	-0.07000
2	0.49340	0.83520	0.98300	-m_x,m_y,-m_z	-2.79000	-0.07000
3	0.50660	0.16480	0.98300	-m_x,m_y,m_z	-2.79000	-0.07000
4	0.99340	0.66480	0.01700	m_x,m_y,-m_z	2.79000	-0.07000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y
1	0.16280	0.16360	0.99400	m_x,m_y,m_z	-2.79000	-0.07000
2	0.33720	0.66360	0.00600	-m_x,m_y,-m_z	2.79000	-0.07000
3	0.66280	0.33640	0.00600	-m_x,m_y,m_z	2.79000	-0.07000
4	0.83720	0.83640	0.99400	m_x,m_y,-m_z	-2.79000	-0.07000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co4:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y
1	0.33360	0.00180	0.01500	m_x,m_y,m_z	2.79000	-0.07000
2	0.16640	0.50180	0.98500	-m_x,m_y,-m_z	-2.79000	-0.07000
3	0.83360	0.49820	0.98500	-m_x,m_y,m_z	-2.79000	-0.07000
4	0.66640	0.99820	0.01500	m_x,m_y,-m_z	2.79000	-0.07000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co5:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y
1	0.33400	0.33130	0.00170	m_x,m_y,m_z	2.79000	-0.07000
2	0.16600	0.83130	0.99830	-m_x,m_y,-m_z	-2.79000	-0.07000
3	0.83400	0.16870	0.99830	-m_x,m_y,m_z	-2.79000	-0.07000
4	0.66600	0.66870	0.00170	m_x,m_y,-m_z	2.79000	-0.07000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ca1:

Atom	x	y	z
1	0.10860	0.05270	0.50300
2	0.39140	0.55270	0.49700
3	0.60860	0.44730	0.49700
4	0.89140	0.94730	0.50300

Set of atoms in the unit cell related by symmetry with the atom Ca2:

Atom	x	y	z
1	0.11450	0.39230	0.49000
2	0.38550	0.89230	0.51000
3	0.61450	0.10770	0.51000
4	0.88550	0.60770	0.49000

Set of atoms in the unit cell related by symmetry with the atom Ca3:

Atom	x	y	z
1	0.05540	0.22450	0.49900
2	0.44460	0.72450	0.50100
3	0.55540	0.27550	0.50100
4	0.94460	0.77550	0.49900

Set of atoms in the unit cell related by symmetry with the atom Ca4:

Atom	x	y	z
1	0.27460	0.11140	0.51500
2	0.22540	0.61140	0.48500
3	0.77460	0.38860	0.48500
4	0.72540	0.88860	0.51500

Set of atoms in the unit cell related by symmetry with the atom Ca5:

Atom	x	y	z
1	0.26770	0.45110	0.47500
2	0.23230	0.95110	0.52500
3	0.76770	0.04890	0.52500
4	0.73230	0.54890	0.47500

Set of atoms in the unit cell related by symmetry with the atom Ca6:

Atom	x	y	z
1	0.21530	0.26640	0.51900
2	0.28470	0.76640	0.48100
3	0.71530	0.23360	0.48100
4	0.78470	0.73360	0.51900

Set of atoms in the unit cell related by symmetry with the atom Ca7:

Atom	x	y	z
1	0.44090	0.05250	0.51700
2	0.05910	0.55250	0.48300
3	0.94090	0.44750	0.48300
4	0.55910	0.94750	0.51700

Set of atoms in the unit cell related by symmetry with the atom Ca8:

Atom	x	y	z
1	0.45050	0.39730	0.51600
2	0.04950	0.89730	0.48400
3	0.95050	0.10270	0.48400
4	0.54950	0.60270	0.51600

Set of atoms in the unit cell related by symmetry with the atom Ca9:

Atom	x	y	z
1	0.40280	0.21150	0.49200
2	0.09720	0.71150	0.50800
3	0.90280	0.28850	0.50800
4	0.59720	0.78850	0.49200

Set of atoms in the unit cell related by symmetry with the atom Si1:

Atom	x	y	z
1	0.04180	0.12140	0.93400
2	0.45820	0.62140	0.06600
3	0.54180	0.37860	0.06600
4	0.95820	0.87860	0.93400

Set of atoms in the unit cell related by symmetry with the atom Si2:

Atom	x	y	z
1	0.05060	0.45680	0.92000
2	0.44940	0.95680	0.08000
3	0.55060	0.04320	0.08000
4	0.94940	0.54320	0.92000

Set of atoms in the unit cell related by symmetry with the atom Si3:

Atom	x	y	z
1	0.12410	0.28620	0.08100
2	0.37590	0.78620	0.91900
3	0.62410	0.21380	0.91900
4	0.87590	0.71380	0.08100

Set of atoms in the unit cell related by symmetry with the atom Si4:

Atom	x	y	z
1	0.21240	0.04110	0.07100
2	0.28760	0.54110	0.92900
3	0.71240	0.45890	0.92900
4	0.78760	0.95890	0.07100

Set of atoms in the unit cell related by symmetry with the atom Si5:

Atom	x	y	z
1	0.21600	0.38120	0.03200
2	0.28400	0.88120	0.96800
3	0.71600	0.11880	0.96800
4	0.78400	0.61880	0.03200

Set of atoms in the unit cell related by symmetry with the atom Si6:

Atom	x	y	z
1	0.28270	0.20810	0.96300
2	0.21730	0.70810	0.03700
3	0.78270	0.29190	0.03700
4	0.71730	0.79190	0.96300

Set of atoms in the unit cell related by symmetry with the atom Si7:

Atom	x	y	z
1	0.38270	0.12340	0.94400
2	0.11730	0.62340	0.05600
3	0.88270	0.37660	0.05600
4	0.61730	0.87660	0.94400

Set of atoms in the unit cell related by symmetry with the atom Si8:

Atom	x	y	z
1	0.38300	0.45490	0.93500
2	0.11700	0.95490	0.06500
3	0.88300	0.04510	0.06500
4	0.61700	0.54510	0.93500

Set of atoms in the unit cell related by symmetry with the atom Si9:

Atom	x	y	z
1	0.45200	0.28110	0.05600
2	0.04800	0.78110	0.94400
3	0.95200	0.21890	0.94400
4	0.54800	0.71890	0.05600

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

Atom	x	y	z
1	0.99170	0.16470	0.82200
2	0.50830	0.66470	0.17800
3	0.49170	0.33530	0.17800
4	0.00830	0.83530	0.82200

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

Atom	x	y	z
1	0.17400	0.98540	0.17420
2	0.32600	0.48540	0.82580
3	0.67400	0.51460	0.82580
4	0.82600	0.01460	0.17420

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

Atom	x	y	z
1	0.17970	0.32650	0.17240
2	0.32030	0.82650	0.82760
3	0.67970	0.17350	0.82760
4	0.82030	0.67350	0.17240

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

Atom	x	y	z
1	0.34010	0.17580	0.83600
2	0.15990	0.67580	0.16400
3	0.84010	0.32420	0.16400
4	0.65990	0.82420	0.83600

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

Atom	x	y	z
1	0.00000	0.50000	0.79500
2	0.50000	0.00000	0.20500

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

Atom	x	y	z
1	0.04230	0.11830	0.24500
2	0.45770	0.61830	0.75500
3	0.54230	0.38170	0.75500
4	0.95770	0.88170	0.24500

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

Atom	x	y	z
1	0.05050	0.45820	0.23540
2	0.44950	0.95820	0.76460
3	0.55050	0.04180	0.76460
4	0.94950	0.54180	0.23540

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

Atom	x	y	z
1	0.12470	0.28220	0.75100
2	0.37530	0.78220	0.24900
3	0.62470	0.21780	0.24900
4	0.87530	0.71780	0.75100

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

Atom	x	y	z
1	0.21650	0.04360	0.75400
2	0.28350	0.54360	0.24600
3	0.71650	0.45640	0.24600
4	0.78350	0.95640	0.75400

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

Atom	x	y	z
1	0.20800	0.38470	0.72200
2	0.29200	0.88470	0.27800
3	0.70800	0.11530	0.27800
4	0.79200	0.61530	0.72200

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

Atom	x	y	z
1	0.27760	0.20320	0.27380
2	0.22240	0.70320	0.72620
3	0.77760	0.29680	0.72620
4	0.72240	0.79680	0.27380

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

Atom	x	y	z
1	0.38630	0.12090	0.25800
2	0.11370	0.62090	0.74200
3	0.88630	0.37910	0.74200
4	0.61370	0.87910	0.25800

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

Atom	x	y	z
1	0.38620	0.45840	0.26300
2	0.11380	0.95840	0.73700
3	0.88620	0.04160	0.73700
4	0.61380	0.54160	0.26300

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

Atom	x	y	z
1	0.46240	0.27600	0.74430
2	0.03760	0.77600	0.25570
3	0.96240	0.22400	0.25570
4	0.53760	0.72400	0.74430

Set of atoms in the unit cell related by symmetry with the atom O15:

Atom	x	y	z
1	0.02500	0.06200	0.77100
2	0.47500	0.56200	0.22900
3	0.52500	0.43800	0.22900
4	0.97500	0.93800	0.77100

Set of atoms in the unit cell related by symmetry with the atom O16:

Atom	x	y	z
1	0.09860	0.14350	0.77300
2	0.40140	0.64350	0.22700
3	0.59860	0.35650	0.22700
4	0.90140	0.85650	0.77300

Set of atoms in the unit cell related by symmetry with the atom O17:

Atom	x	y	z
1	0.03420	0.39550	0.77700
2	0.46580	0.89550	0.22300
3	0.53420	0.10450	0.22300
4	0.96580	0.60450	0.77700

Set of atoms in the unit cell related by symmetry with the atom O18:

Atom	x	y	z
1	0.10390	0.47980	0.75350
2	0.39610	0.97980	0.24650
3	0.60390	0.02020	0.24650
4	0.89610	0.52020	0.75350

Set of atoms in the unit cell related by symmetry with the atom O19:

Atom	x	y	z
1	0.13880	0.22660	0.22490
2	0.36120	0.72660	0.77510
3	0.63880	0.27340	0.77510
4	0.86120	0.77340	0.22490

Set of atoms in the unit cell related by symmetry with the atom O20:

Atom	x	y	z
1	0.07110	0.31250	0.22390
2	0.42890	0.81250	0.77610
3	0.57110	0.18750	0.77610
4	0.92890	0.68750	0.22390

Set of atoms in the unit cell related by symmetry with the atom O21:

Atom	x	y	z
1	0.18260	0.09530	0.22390
2	0.31740	0.59530	0.77610
3	0.68260	0.40470	0.77610
4	0.81740	0.90470	0.22390

Set of atoms in the unit cell related by symmetry with the atom O22:

Atom	x	y	z
1	0.27130	0.03010	0.23000
2	0.22870	0.53010	0.77000
3	0.77130	0.46990	0.77000
4	0.72870	0.96990	0.23000

Set of atoms in the unit cell related by symmetry with the atom O23:

Atom	x	y	z
1	0.18640	0.43570	0.20640
2	0.31360	0.93570	0.79360
3	0.68640	0.06430	0.79360
4	0.81360	0.56430	0.20640

Set of atoms in the unit cell related by symmetry with the atom O24:

Atom	x	y	z
1	0.27790	0.37940	0.17060
2	0.22210	0.87940	0.82940
3	0.77790	0.12060	0.82940
4	0.72210	0.62060	0.17060

Set of atoms in the unit cell related by symmetry with the atom O25:

Atom	x	y	z
1	0.28700	0.27280	0.83380
2	0.21300	0.77280	0.16620
3	0.78700	0.22720	0.16620
4	0.71300	0.72720	0.83380

Set of atoms in the unit cell related by symmetry with the atom O26:

Atom	x	y	z
1	0.23010	0.17990	0.79530
2	0.26990	0.67990	0.20470
3	0.73010	0.32010	0.20470
4	0.76990	0.82010	0.79530

Set of atoms in the unit cell related by symmetry with the atom O27:

Atom	x	y	z
1	0.35620	0.06740	0.79150
2	0.14380	0.56740	0.20850
3	0.85620	0.43260	0.20850
4	0.64380	0.93260	0.79150

Set of atoms in the unit cell related by symmetry with the atom O28:

Atom	x	y	z
1	0.44030	0.13710	0.78770
2	0.05970	0.63710	0.21230
3	0.94030	0.36290	0.21230
4	0.55970	0.86290	0.78770

Set of atoms in the unit cell related by symmetry with the atom O29:

Atom	x	y	z
1	0.38090	0.38790	0.83100
2	0.11910	0.88790	0.16900
3	0.88090	0.11210	0.16900
4	0.61910	0.61210	0.83100

Set of atoms in the unit cell related by symmetry with the atom O30:

Atom	x	y	z
1	0.43500	0.48210	0.78200
2	0.06500	0.98210	0.21800
3	0.93500	0.01790	0.21800
4	0.56500	0.51790	0.78200

Set of atoms in the unit cell related by symmetry with the atom O31:

Atom	x	y	z
1	0.48410	0.22760	0.21850
2	0.01590	0.72760	0.78150
3	0.98410	0.27240	0.78150
4	0.51590	0.77240	0.21850

Set of atoms in the unit cell related by symmetry with the atom O32:

Atom	x	y	z
1	0.39180	0.28310	0.18090
2	0.10820	0.78310	0.81910
3	0.89180	0.21690	0.81910
4	0.60820	0.71690	0.18090

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	\|M\|
Co1	Co	0.00000	0.00000	0.001	2	m_x,m_y,0	2.79(1)	-0.07(6)	2.79
Co2	Co	0.0066	0.3352	0.017	4	m_x,m_y,m_z	2.79	-0.07	2.79
Co3	Co	0.1628	0.1636	-0.006	4	m_x,m_y,m_z	-2.79	-0.07	2.79
Co4	Co	0.3336	0.0018	0.015	4	m_x,m_y,m_z	2.79	-0.07	2.79
Co5	Co	0.3340	0.3313	0.0017	4	m_x,m_y,m_z	2.79	-0.07	2.79

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

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

Ca₂CoSi₂O₇ (#0.175)

label	dim. full irrep	dim. small irrep	direction	action	number of modes	presence
mGM5	2	2	special	primary	2
mDT1	4	2	special	secondary	3	no
mDT2	4	2	special	secondary	3	no
mSM1	4	2	special	secondary	3	no
mSM2	4	2	special	secondary	3	no

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

Ca2CoSi2O7 (#0.175)

Ca₂CoSi₂O₇ (#0.175)