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

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,-z,+1	2₁₀₀
3	x,-y,z,+1	m₀₁₀
4	x,y,-z,+1	m₀₀₁
5	-x,y,-z,-1	2'₀₁₀
6	-x,-y,z,-1	2'₀₀₁
7	-x,-y,-z,-1	-1'
8	-x,y,z,-1	m'₁₀₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_z	\|M\|
Cr1	Cr	0.36848	0.99940	0.63095	8	m_x,m_y,m_z	-1.49	1.49	2.11
Cr2	Cr	0.13569	0.99813	0.62642	8	m_x,m_y,m_z	-1.69	-0.88	1.91
Cr3	Cr	0.25295	0.99909	0.45300	8	m_x,m_y,m_z	2.18	-0.17	2.19

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
K1	K	0.95540	0.25000	0.53210	4
K2	K	0.03970	0.25000	0.97680	4
K3	K	0.06880	0.25000	0.31930	4
K4	K	0.39960	0.25000	0.33420	4
K5	K	0.28030	0.25000	0.78930	4
K6	K	0.04180	0.25000	0.78740	4
F1	F	0.40300	0.03770	0.72640	8
F2	F	0.33530	0.96250	0.53040	8
F3	F	0.48090	0.96340	0.60040	8
F4	F	0.25180	0.04620	0.65930	8
F5	F	0.10160	0.96210	0.72130	8
F6	F	0.38510	0.25000	0.60770	4
F7	F	0.10770	0.25000	0.63980	4
F8	F	0.14670	0.25000	0.15210	4
F9	F	0.33490	0.25000	0.11140	4
F10	F	0.02650	0.95830	0.59100	8
F11	F	0.27870	0.25000	0.96100	4
F12	F	0.33680	0.94390	0.38500	8
F13	F	0.16930	0.04830	0.52700	8
F14	F	0.17190	0.01780	0.38080	8
F15	F	0.28580	0.25000	0.44800	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 Cr1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.36848	0.99940	0.63095	m_x,m_y,m_z	-1.49000	1.49000
2	0.86848	0.50060	0.86905	m_x,-m_y,-m_z	-1.49000	-1.49000
3	0.36848	0.50060	0.63095	-m_x,m_y,-m_z	1.49000	-1.49000
4	0.86848	0.99940	0.86905	-m_x,-m_y,m_z	1.49000	1.49000
5	0.63152	0.49940	0.36905	m_x,-m_y,m_z	-1.49000	1.49000
6	0.13152	0.00060	0.13095	m_x,m_y,-m_z	-1.49000	-1.49000
7	0.63152	0.00060	0.36905	-m_x,-m_y,-m_z	1.49000	-1.49000
8	0.13152	0.49940	0.13095	-m_x,m_y,m_z	1.49000	1.49000

Set of atoms in the unit cell related by symmetry with the magnetic atom Cr2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.13569	0.99813	0.62642	m_x,m_y,m_z	-1.69000	-0.88000
2	0.63569	0.50187	0.87358	m_x,-m_y,-m_z	-1.69000	0.88000
3	0.13569	0.50187	0.62642	-m_x,m_y,-m_z	1.69000	0.88000
4	0.63569	0.99813	0.87358	-m_x,-m_y,m_z	1.69000	-0.88000
5	0.86431	0.49813	0.37358	m_x,-m_y,m_z	-1.69000	-0.88000
6	0.36431	0.00187	0.12642	m_x,m_y,-m_z	-1.69000	0.88000
7	0.86431	0.00187	0.37358	-m_x,-m_y,-m_z	1.69000	0.88000
8	0.36431	0.49813	0.12642	-m_x,m_y,m_z	1.69000	-0.88000

Set of atoms in the unit cell related by symmetry with the magnetic atom Cr3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.25295	0.99909	0.45300	m_x,m_y,m_z	2.18000	-0.17000
2	0.75295	0.50091	0.04700	m_x,-m_y,-m_z	2.18000	0.17000
3	0.25295	0.50091	0.45300	-m_x,m_y,-m_z	-2.18000	0.17000
4	0.75295	0.99909	0.04700	-m_x,-m_y,m_z	-2.18000	-0.17000
5	0.74705	0.49909	0.54700	m_x,-m_y,m_z	2.18000	-0.17000
6	0.24705	0.00091	0.95300	m_x,m_y,-m_z	2.18000	0.17000
7	0.74705	0.00091	0.54700	-m_x,-m_y,-m_z	-2.18000	0.17000
8	0.24705	0.49909	0.95300	-m_x,m_y,m_z	-2.18000	-0.17000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom K1:

Atom	x	y	z
1	0.95540	0.25000	0.53210
2	0.45540	0.25000	0.96790
3	0.04460	0.75000	0.46790
4	0.54460	0.75000	0.03210

Set of atoms in the unit cell related by symmetry with the atom K2:

Atom	x	y	z
1	0.03970	0.25000	0.97680
2	0.53970	0.25000	0.52320
3	0.96030	0.75000	0.02320
4	0.46030	0.75000	0.47680

Set of atoms in the unit cell related by symmetry with the atom K3:

Atom	x	y	z
1	0.06880	0.25000	0.31930
2	0.56880	0.25000	0.18070
3	0.93120	0.75000	0.68070
4	0.43120	0.75000	0.81930

Set of atoms in the unit cell related by symmetry with the atom K4:

Atom	x	y	z
1	0.39960	0.25000	0.33420
2	0.89960	0.25000	0.16580
3	0.60040	0.75000	0.66580
4	0.10040	0.75000	0.83420

Set of atoms in the unit cell related by symmetry with the atom K5:

Atom	x	y	z
1	0.28030	0.25000	0.78930
2	0.78030	0.25000	0.71070
3	0.71970	0.75000	0.21070
4	0.21970	0.75000	0.28930

Set of atoms in the unit cell related by symmetry with the atom K6:

Atom	x	y	z
1	0.04180	0.25000	0.78740
2	0.54180	0.25000	0.71260
3	0.95820	0.75000	0.21260
4	0.45820	0.75000	0.28740

Set of atoms in the unit cell related by symmetry with the atom F1:

Atom	x	y	z
1	0.40300	0.03770	0.72640
2	0.90300	0.46230	0.77360
3	0.40300	0.46230	0.72640
4	0.90300	0.03770	0.77360
5	0.59700	0.53770	0.27360
6	0.09700	0.96230	0.22640
7	0.59700	0.96230	0.27360
8	0.09700	0.53770	0.22640

Set of atoms in the unit cell related by symmetry with the atom F2:

Atom	x	y	z
1	0.33530	0.96250	0.53040
2	0.83530	0.53750	0.96960
3	0.33530	0.53750	0.53040
4	0.83530	0.96250	0.96960
5	0.66470	0.46250	0.46960
6	0.16470	0.03750	0.03040
7	0.66470	0.03750	0.46960
8	0.16470	0.46250	0.03040

Set of atoms in the unit cell related by symmetry with the atom F3:

Atom	x	y	z
1	0.48090	0.96340	0.60040
2	0.98090	0.53660	0.89960
3	0.48090	0.53660	0.60040
4	0.98090	0.96340	0.89960
5	0.51910	0.46340	0.39960
6	0.01910	0.03660	0.10040
7	0.51910	0.03660	0.39960
8	0.01910	0.46340	0.10040

Set of atoms in the unit cell related by symmetry with the atom F4:

Atom	x	y	z
1	0.25180	0.04620	0.65930
2	0.75180	0.45380	0.84070
3	0.25180	0.45380	0.65930
4	0.75180	0.04620	0.84070
5	0.74820	0.54620	0.34070
6	0.24820	0.95380	0.15930
7	0.74820	0.95380	0.34070
8	0.24820	0.54620	0.15930

Set of atoms in the unit cell related by symmetry with the atom F5:

Atom	x	y	z
1	0.10160	0.96210	0.72130
2	0.60160	0.53790	0.77870
3	0.10160	0.53790	0.72130
4	0.60160	0.96210	0.77870
5	0.89840	0.46210	0.27870
6	0.39840	0.03790	0.22130
7	0.89840	0.03790	0.27870
8	0.39840	0.46210	0.22130

Set of atoms in the unit cell related by symmetry with the atom F6:

Atom	x	y	z
1	0.38510	0.25000	0.60770
2	0.88510	0.25000	0.89230
3	0.61490	0.75000	0.39230
4	0.11490	0.75000	0.10770

Set of atoms in the unit cell related by symmetry with the atom F7:

Atom	x	y	z
1	0.10770	0.25000	0.63980
2	0.60770	0.25000	0.86020
3	0.89230	0.75000	0.36020
4	0.39230	0.75000	0.13980

Set of atoms in the unit cell related by symmetry with the atom F8:

Atom	x	y	z
1	0.14670	0.25000	0.15210
2	0.64670	0.25000	0.34790
3	0.85330	0.75000	0.84790
4	0.35330	0.75000	0.65210

Set of atoms in the unit cell related by symmetry with the atom F9:

Atom	x	y	z
1	0.33490	0.25000	0.11140
2	0.83490	0.25000	0.38860
3	0.66510	0.75000	0.88860
4	0.16510	0.75000	0.61140

Set of atoms in the unit cell related by symmetry with the atom F10:

Atom	x	y	z
1	0.02650	0.95830	0.59100
2	0.52650	0.54170	0.90900
3	0.02650	0.54170	0.59100
4	0.52650	0.95830	0.90900
5	0.97350	0.45830	0.40900
6	0.47350	0.04170	0.09100
7	0.97350	0.04170	0.40900
8	0.47350	0.45830	0.09100

Set of atoms in the unit cell related by symmetry with the atom F11:

Atom	x	y	z
1	0.27870	0.25000	0.96100
2	0.77870	0.25000	0.53900
3	0.72130	0.75000	0.03900
4	0.22130	0.75000	0.46100

Set of atoms in the unit cell related by symmetry with the atom F12:

Atom	x	y	z
1	0.33680	0.94390	0.38500
2	0.83680	0.55610	0.11500
3	0.33680	0.55610	0.38500
4	0.83680	0.94390	0.11500
5	0.66320	0.44390	0.61500
6	0.16320	0.05610	0.88500
7	0.66320	0.05610	0.61500
8	0.16320	0.44390	0.88500

Set of atoms in the unit cell related by symmetry with the atom F13:

Atom	x	y	z
1	0.16930	0.04830	0.52700
2	0.66930	0.45170	0.97300
3	0.16930	0.45170	0.52700
4	0.66930	0.04830	0.97300
5	0.83070	0.54830	0.47300
6	0.33070	0.95170	0.02700
7	0.83070	0.95170	0.47300
8	0.33070	0.54830	0.02700

Set of atoms in the unit cell related by symmetry with the atom F14:

Atom	x	y	z
1	0.17190	0.01780	0.38080
2	0.67190	0.48220	0.11920
3	0.17190	0.48220	0.38080
4	0.67190	0.01780	0.11920
5	0.82810	0.51780	0.61920
6	0.32810	0.98220	0.88080
7	0.82810	0.98220	0.61920
8	0.32810	0.51780	0.88080

Set of atoms in the unit cell related by symmetry with the atom F15:

Atom	x	y	z
1	0.28580	0.25000	0.44800
2	0.78580	0.25000	0.05200
3	0.71420	0.75000	0.55200
4	0.21420	0.75000	0.94800

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_z	\|M\|
Cr1	Cr	0.36848	0.99940	0.63095	8	m_x,m_y,m_z	-1.49	1.49	2.11
Cr2	Cr	0.13569	0.99813	0.62642	8	m_x,m_y,m_z	-1.69	-0.88	1.91
Cr3	Cr	0.25295	0.99909	0.45300	8	m_x,m_y,m_z	2.18	-0.17	2.19

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

label	dim. small irrep	dim. full irrep	action	number of modes
mGM3-	1	1	primary	9

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

KCrF₄ (#0.182)

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

KCrF4 (#0.182)

KCrF₄ (#0.182)