Collection of Magnetic Structures
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MAGNDATA
Collection of Magnetic Structures
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 |
 Magnetic structure with all atoms |  Magnetic structure with only magnetic atoms |
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| N | (x,y,z) | Seitz notation | |
|---|---|---|---|
| 1 | x,y,z,+1 | { 1 | 0 } | |
| 2 | y+5/8,x+3/8,-z+5/8,+1 | { 2110 | 5/8 3/8 5/8 } | |
| 3 | -y+7/8,-x+3/8,-z+5/8,+1 | { 21-10 | 7/8 3/8 5/8 } | |
| 4 | -x,-y+1/4,z,+1 | { 2001 | 0 1/4 0 } | |
| 5 | y+7/8,-x+1/8,-z+3/8,+1 | { -4+001 | 7/8 1/8 3/8 } | |
| 6 | -y+1/8,x+1/8,-z+3/8,+1 | { -4-001 | 1/8 1/8 3/8 } | |
| 7 | x+3/4,-y+1/2,z+1/4,+1 | { m010 | 3/4 1/2 1/4 } | |
| 8 | -x+3/4,y+1/4,z+1/4,+1 | { m100 | 3/4 1/4 1/4 } | |
| (0,1/2,1/2) + set click here to show and hide | |||
| 9 | x,y+1/2,z+1/2,+1 | { 1 | 0 1/2 1/2 } | |
| 10 | y+5/8,x+7/8,-z+1/8,+1 | { 2110 | 5/8 7/8 1/8 } | |
| 11 | -y+7/8,-x+7/8,-z+1/8,+1 | { 21-10 | 7/8 7/8 1/8 } | |
| 12 | -x,-y+3/4,z+1/2,+1 | { 2001 | 0 3/4 1/2 } | |
| 13 | y+7/8,-x+5/8,-z+7/8,+1 | { -4+001 | 7/8 5/8 7/8 } | |
| 14 | -y+1/8,x+5/8,-z+7/8,+1 | { -4-001 | 1/8 5/8 7/8 } | |
| 15 | x+3/4,-y,z+3/4,+1 | { m010 | 3/4 0 3/4 } | |
| 16 | -x+3/4,y+3/4,z+3/4,+1 | { m100 | 3/4 3/4 3/4 } | |
| (1/2,0,1/2) + set click here to show and hide | |||
| 17 | x+1/2,y,z+1/2,+1 | { 1 | 1/2 0 1/2 } | |
| 18 | y+1/8,x+3/8,-z+1/8,+1 | { 2110 | 1/8 3/8 1/8 } | |
| 19 | -y+3/8,-x+3/8,-z+1/8,+1 | { 21-10 | 3/8 3/8 1/8 } | |
| 20 | -x+1/2,-y+1/4,z+1/2,+1 | { 2001 | 1/2 1/4 1/2 } | |
| 21 | y+3/8,-x+1/8,-z+7/8,+1 | { -4+001 | 3/8 1/8 7/8 } | |
| 22 | -y+5/8,x+1/8,-z+7/8,+1 | { -4-001 | 5/8 1/8 7/8 } | |
| 23 | x+1/4,-y+1/2,z+3/4,+1 | { m010 | 1/4 1/2 3/4 } | |
| 24 | -x+1/4,y+1/4,z+3/4,+1 | { m100 | 1/4 1/4 3/4 } | |
| (1/2,1/2,0) + set click here to show and hide | |||
| 25 | x+1/2,y+1/2,z,+1 | { 1 | 1/2 1/2 0 } | |
| 26 | y+1/8,x+7/8,-z+5/8,+1 | { 2110 | 1/8 7/8 5/8 } | |
| 27 | -y+3/8,-x+7/8,-z+5/8,+1 | { 21-10 | 3/8 7/8 5/8 } | |
| 28 | -x+1/2,-y+3/4,z,+1 | { 2001 | 1/2 3/4 0 } | |
| 29 | y+3/8,-x+5/8,-z+3/8,+1 | { -4+001 | 3/8 5/8 3/8 } | |
| 30 | -y+5/8,x+5/8,-z+3/8,+1 | { -4-001 | 5/8 5/8 3/8 } | |
| 31 | x+1/4,-y,z+1/4,+1 | { m010 | 1/4 0 1/4 } | |
| 32 | -x+1/4,y+3/4,z+1/4,+1 | { m100 | 1/4 3/4 1/4 } | |
| (0,0,1/2)' + set click here to show and hide | |||
| 33 | x,y,z+1/2,-1 | { 1' | 0 0 1/2 } | |
| 34 | y+5/8,x+3/8,-z+1/8,-1 | { 2'110 | 5/8 3/8 1/8 } | |
| 35 | -y+7/8,-x+3/8,-z+1/8,-1 | { 2'1-10 | 7/8 3/8 1/8 } | |
| 36 | -x,-y+1/4,z+1/2,-1 | { 2'001 | 0 1/4 1/2 } | |
| 37 | y+7/8,-x+1/8,-z+7/8,-1 | { -4'+001 | 7/8 1/8 7/8 } | |
| 38 | -y+1/8,x+1/8,-z+7/8,-1 | { -4'-001 | 1/8 1/8 7/8 } | |
| 39 | x+3/4,-y+1/2,z+3/4,-1 | { m'010 | 3/4 1/2 3/4 } | |
| 40 | -x+3/4,y+1/4,z+3/4,-1 | { m'100 | 3/4 1/4 3/4 } | |
| (0,1/2,0)' + set click here to show and hide | |||
| 41 | x,y+1/2,z,-1 | { 1' | 0 1/2 0 } | |
| 42 | y+5/8,x+7/8,-z+5/8,-1 | { 2'110 | 5/8 7/8 5/8 } | |
| 43 | -y+7/8,-x+7/8,-z+5/8,-1 | { 2'1-10 | 7/8 7/8 5/8 } | |
| 44 | -x,-y+3/4,z,-1 | { 2'001 | 0 3/4 0 } | |
| 45 | y+7/8,-x+5/8,-z+3/8,-1 | { -4'+001 | 7/8 5/8 3/8 } | |
| 46 | -y+1/8,x+5/8,-z+3/8,-1 | { -4'-001 | 1/8 5/8 3/8 } | |
| 47 | x+3/4,-y,z+1/4,-1 | { m'010 | 3/4 0 1/4 } | |
| 48 | -x+3/4,y+3/4,z+1/4,-1 | { m'100 | 3/4 3/4 1/4 } | |
| (1/2,0,0)' + set click here to show and hide | |||
| 49 | x+1/2,y,z,-1 | { 1' | 1/2 0 0 } | |
| 50 | y+1/8,x+3/8,-z+5/8,-1 | { 2'110 | 1/8 3/8 5/8 } | |
| 51 | -y+3/8,-x+3/8,-z+5/8,-1 | { 2'1-10 | 3/8 3/8 5/8 } | |
| 52 | -x+1/2,-y+1/4,z,-1 | { 2'001 | 1/2 1/4 0 } | |
| 53 | y+3/8,-x+1/8,-z+3/8,-1 | { -4'+001 | 3/8 1/8 3/8 } | |
| 54 | -y+5/8,x+1/8,-z+3/8,-1 | { -4'-001 | 5/8 1/8 3/8 } | |
| 55 | x+1/4,-y+1/2,z+1/4,-1 | { m'010 | 1/4 1/2 1/4 } | |
| 56 | -x+1/4,y+1/4,z+1/4,-1 | { m'100 | 1/4 1/4 1/4 } | |
| (1/2,1/2,1/2)' + set click here to show and hide | |||
| 57 | x+1/2,y+1/2,z+1/2,-1 | { 1' | 1/2 1/2 1/2 } | |
| 58 | y+1/8,x+7/8,-z+1/8,-1 | { 2'110 | 1/8 7/8 1/8 } | |
| 59 | -y+3/8,-x+7/8,-z+1/8,-1 | { 2'1-10 | 3/8 7/8 1/8 } | |
| 60 | -x+1/2,-y+3/4,z+1/2,-1 | { 2'001 | 1/2 3/4 1/2 } | |
| 61 | y+3/8,-x+5/8,-z+7/8,-1 | { -4'+001 | 3/8 5/8 7/8 } | |
| 62 | -y+5/8,x+5/8,-z+7/8,-1 | { -4'-001 | 5/8 5/8 7/8 } | |
| 63 | x+1/4,-y,z+3/4,-1 | { m'010 | 1/4 0 3/4 } | |
| 64 | -x+1/4,y+3/4,z+3/4,-1 | { m'100 | 1/4 3/4 3/4 } | |
|
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| N | (x,y,z) | Seitz notation | |
|---|---|---|---|
| 1 | x,y,z,+1 | 1 | |
| 2 | y,x,-z,+1 | 2110 | |
| 3 | -y,-x,-z,+1 | 21-10 | |
| 4 | -x,-y,z,+1 | 2001 | |
| 5 | y,-x,-z,+1 | -4+001 | |
| 6 | -y,x,-z,+1 | -4-001 | |
| 7 | x,-y,z,+1 | m010 | |
| 8 | -x,y,z,+1 | m100 | |
| 1' + set click here to show and hide | |||
| 9 | x,y,z,-1 | 1' | |
| 10 | y,x,-z,-1 | 2'110 | |
| 11 | -y,-x,-z,-1 | 2'1-10 | |
| 12 | -x,-y,z,-1 | 2'001 | |
| 13 | y,-x,-z,-1 | -4'+001 | |
| 14 | -y,x,-z,-1 | -4'-001 | |
| 15 | x,-y,z,-1 | m'010 | |
| 16 | -x,y,z,-1 | m'100 | |
| Label | Atom type | x | y | z | Multiplicity | Symmetry constraints on M | Mx | My | Mz | |M| |
|---|---|---|---|---|---|---|---|---|---|---|
| Cu1 | Cu | 0.00000 | 0.00000 | 0.00000 | 64 | mx,my,mz | 0.626(31) | 0.626(31) | 0.0 | 0.89 |
| Label | Atom type | x | y | z | Multiplicity |
|---|---|---|---|---|---|
| Ge1_1 | Ge | 0.00000 | 0.12500 | 0.18750 | 16 |
| Ge1_2 | Ge | 0.00000 | 0.37500 | 0.31250 | 16 |
| O1_1 | O | 0.00000 | 0.24550 | 0.36700 | 64 |
| O1_2 | O | 0.87950 | 0.37500 | 0.49200 | 64 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Cu1:
| Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
|---|---|---|---|---|---|---|---|
| 1 | 0.00000 | 0.00000 | 0.00000 | mx,my,mz | 0.62600 | 0.62600 | 0.00000 |
| 2 | 0.62500 | 0.37500 | 0.62500 | my,mx,-mz | 0.62600 | 0.62600 | 0.00000 |
| 3 | 0.87500 | 0.37500 | 0.62500 | -my,-mx,-mz | -0.62600 | -0.62600 | 0.00000 |
| 4 | 0.00000 | 0.25000 | 0.00000 | -mx,-my,mz | -0.62600 | -0.62600 | 0.00000 |
| 5 | 0.87500 | 0.12500 | 0.37500 | -my,mx,mz | -0.62600 | 0.62600 | 0.00000 |
| 6 | 0.12500 | 0.12500 | 0.37500 | my,-mx,mz | 0.62600 | -0.62600 | 0.00000 |
| 7 | 0.75000 | 0.50000 | 0.25000 | -mx,my,-mz | -0.62600 | 0.62600 | 0.00000 |
| 8 | 0.75000 | 0.25000 | 0.25000 | mx,-my,-mz | 0.62600 | -0.62600 | 0.00000 |
| (0,1/2,1/2) + set click here to show and hide | |||||||
| 9 | 0.00000 | 0.50000 | 0.50000 | mx,my,mz | 0.62600 | 0.62600 | 0.00000 |
| 10 | 0.62500 | 0.87500 | 0.12500 | my,mx,-mz | 0.62600 | 0.62600 | 0.00000 |
| 11 | 0.87500 | 0.87500 | 0.12500 | -my,-mx,-mz | -0.62600 | -0.62600 | 0.00000 |
| 12 | 0.00000 | 0.75000 | 0.50000 | -mx,-my,mz | -0.62600 | -0.62600 | 0.00000 |
| 13 | 0.87500 | 0.62500 | 0.87500 | -my,mx,mz | -0.62600 | 0.62600 | 0.00000 |
| 14 | 0.12500 | 0.62500 | 0.87500 | my,-mx,mz | 0.62600 | -0.62600 | 0.00000 |
| 15 | 0.75000 | 0.00000 | 0.75000 | -mx,my,-mz | -0.62600 | 0.62600 | 0.00000 |
| 16 | 0.75000 | 0.75000 | 0.75000 | mx,-my,-mz | 0.62600 | -0.62600 | 0.00000 |
| (1/2,0,1/2) + set click here to show and hide | |||||||
| 17 | 0.50000 | 0.00000 | 0.50000 | mx,my,mz | 0.62600 | 0.62600 | 0.00000 |
| 18 | 0.12500 | 0.37500 | 0.12500 | my,mx,-mz | 0.62600 | 0.62600 | 0.00000 |
| 19 | 0.37500 | 0.37500 | 0.12500 | -my,-mx,-mz | -0.62600 | -0.62600 | 0.00000 |
| 20 | 0.50000 | 0.25000 | 0.50000 | -mx,-my,mz | -0.62600 | -0.62600 | 0.00000 |
| 21 | 0.37500 | 0.12500 | 0.87500 | -my,mx,mz | -0.62600 | 0.62600 | 0.00000 |
| 22 | 0.62500 | 0.12500 | 0.87500 | my,-mx,mz | 0.62600 | -0.62600 | 0.00000 |
| 23 | 0.25000 | 0.50000 | 0.75000 | -mx,my,-mz | -0.62600 | 0.62600 | 0.00000 |
| 24 | 0.25000 | 0.25000 | 0.75000 | mx,-my,-mz | 0.62600 | -0.62600 | 0.00000 |
| (1/2,1/2,0) + set click here to show and hide | |||||||
| 25 | 0.50000 | 0.50000 | 0.00000 | mx,my,mz | 0.62600 | 0.62600 | 0.00000 |
| 26 | 0.12500 | 0.87500 | 0.62500 | my,mx,-mz | 0.62600 | 0.62600 | 0.00000 |
| 27 | 0.37500 | 0.87500 | 0.62500 | -my,-mx,-mz | -0.62600 | -0.62600 | 0.00000 |
| 28 | 0.50000 | 0.75000 | 0.00000 | -mx,-my,mz | -0.62600 | -0.62600 | 0.00000 |
| 29 | 0.37500 | 0.62500 | 0.37500 | -my,mx,mz | -0.62600 | 0.62600 | 0.00000 |
| 30 | 0.62500 | 0.62500 | 0.37500 | my,-mx,mz | 0.62600 | -0.62600 | 0.00000 |
| 31 | 0.25000 | 0.00000 | 0.25000 | -mx,my,-mz | -0.62600 | 0.62600 | 0.00000 |
| 32 | 0.25000 | 0.75000 | 0.25000 | mx,-my,-mz | 0.62600 | -0.62600 | 0.00000 |
| (0,0,1/2)' + set click here to show and hide | |||||||
| 33 | 0.00000 | 0.00000 | 0.50000 | -mx,-my,-mz | -0.62600 | -0.62600 | 0.00000 |
| 34 | 0.62500 | 0.37500 | 0.12500 | -my,-mx,mz | -0.62600 | -0.62600 | 0.00000 |
| 35 | 0.87500 | 0.37500 | 0.12500 | my,mx,mz | 0.62600 | 0.62600 | 0.00000 |
| 36 | 0.00000 | 0.25000 | 0.50000 | mx,my,-mz | 0.62600 | 0.62600 | 0.00000 |
| 37 | 0.87500 | 0.12500 | 0.87500 | my,-mx,-mz | 0.62600 | -0.62600 | 0.00000 |
| 38 | 0.12500 | 0.12500 | 0.87500 | -my,mx,-mz | -0.62600 | 0.62600 | 0.00000 |
| 39 | 0.75000 | 0.50000 | 0.75000 | mx,-my,mz | 0.62600 | -0.62600 | 0.00000 |
| 40 | 0.75000 | 0.25000 | 0.75000 | -mx,my,mz | -0.62600 | 0.62600 | 0.00000 |
| (0,1/2,0)' + set click here to show and hide | |||||||
| 41 | 0.00000 | 0.50000 | 0.00000 | -mx,-my,-mz | -0.62600 | -0.62600 | 0.00000 |
| 42 | 0.62500 | 0.87500 | 0.62500 | -my,-mx,mz | -0.62600 | -0.62600 | 0.00000 |
| 43 | 0.87500 | 0.87500 | 0.62500 | my,mx,mz | 0.62600 | 0.62600 | 0.00000 |
| 44 | 0.00000 | 0.75000 | 0.00000 | mx,my,-mz | 0.62600 | 0.62600 | 0.00000 |
| 45 | 0.87500 | 0.62500 | 0.37500 | my,-mx,-mz | 0.62600 | -0.62600 | 0.00000 |
| 46 | 0.12500 | 0.62500 | 0.37500 | -my,mx,-mz | -0.62600 | 0.62600 | 0.00000 |
| 47 | 0.75000 | 0.00000 | 0.25000 | mx,-my,mz | 0.62600 | -0.62600 | 0.00000 |
| 48 | 0.75000 | 0.75000 | 0.25000 | -mx,my,mz | -0.62600 | 0.62600 | 0.00000 |
| (1/2,0,0)' + set click here to show and hide | |||||||
| 49 | 0.50000 | 0.00000 | 0.00000 | -mx,-my,-mz | -0.62600 | -0.62600 | 0.00000 |
| 50 | 0.12500 | 0.37500 | 0.62500 | -my,-mx,mz | -0.62600 | -0.62600 | 0.00000 |
| 51 | 0.37500 | 0.37500 | 0.62500 | my,mx,mz | 0.62600 | 0.62600 | 0.00000 |
| 52 | 0.50000 | 0.25000 | 0.00000 | mx,my,-mz | 0.62600 | 0.62600 | 0.00000 |
| 53 | 0.37500 | 0.12500 | 0.37500 | my,-mx,-mz | 0.62600 | -0.62600 | 0.00000 |
| 54 | 0.62500 | 0.12500 | 0.37500 | -my,mx,-mz | -0.62600 | 0.62600 | 0.00000 |
| 55 | 0.25000 | 0.50000 | 0.25000 | mx,-my,mz | 0.62600 | -0.62600 | 0.00000 |
| 56 | 0.25000 | 0.25000 | 0.25000 | -mx,my,mz | -0.62600 | 0.62600 | 0.00000 |
| (1/2,1/2,1/2)' + set click here to show and hide | |||||||
| 57 | 0.50000 | 0.50000 | 0.50000 | -mx,-my,-mz | -0.62600 | -0.62600 | 0.00000 |
| 58 | 0.12500 | 0.87500 | 0.12500 | -my,-mx,mz | -0.62600 | -0.62600 | 0.00000 |
| 59 | 0.37500 | 0.87500 | 0.12500 | my,mx,mz | 0.62600 | 0.62600 | 0.00000 |
| 60 | 0.50000 | 0.75000 | 0.50000 | mx,my,-mz | 0.62600 | 0.62600 | 0.00000 |
| 61 | 0.37500 | 0.62500 | 0.87500 | my,-mx,-mz | 0.62600 | -0.62600 | 0.00000 |
| 62 | 0.62500 | 0.62500 | 0.87500 | -my,mx,-mz | -0.62600 | 0.62600 | 0.00000 |
| 63 | 0.25000 | 0.00000 | 0.75000 | mx,-my,mz | 0.62600 | -0.62600 | 0.00000 |
| 64 | 0.25000 | 0.75000 | 0.75000 | -mx,my,mz | -0.62600 | 0.62600 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom Ge1_1:
| Atom | x | y | z | ||||
|---|---|---|---|---|---|---|---|
| 1 | 0.00000 | 0.12500 | 0.18750 | ||||
| 2 | 0.75000 | 0.37500 | 0.43750 | ||||
| (0,1/2,1/2) + set click here to show and hide | |||||||
| 3 | 0.00000 | 0.62500 | 0.68750 | ||||
| 4 | 0.75000 | 0.87500 | 0.93750 | ||||
| (1/2,0,1/2) + set click here to show and hide | |||||||
| 5 | 0.50000 | 0.12500 | 0.68750 | ||||
| 6 | 0.25000 | 0.37500 | 0.93750 | ||||
| (1/2,1/2,0) + set click here to show and hide | |||||||
| 7 | 0.50000 | 0.62500 | 0.18750 | ||||
| 8 | 0.25000 | 0.87500 | 0.43750 | ||||
| (0,0,1/2)' + set click here to show and hide | |||||||
| 9 | 0.00000 | 0.12500 | 0.68750 | ||||
| 10 | 0.75000 | 0.37500 | 0.93750 | ||||
| (0,1/2,0)' + set click here to show and hide | |||||||
| 11 | 0.00000 | 0.62500 | 0.18750 | ||||
| 12 | 0.75000 | 0.87500 | 0.43750 | ||||
| (1/2,0,0)' + set click here to show and hide | |||||||
| 13 | 0.50000 | 0.12500 | 0.18750 | ||||
| 14 | 0.25000 | 0.37500 | 0.43750 | ||||
| (1/2,1/2,1/2)' + set click here to show and hide | |||||||
| 15 | 0.50000 | 0.62500 | 0.68750 | ||||
| 16 | 0.25000 | 0.87500 | 0.93750 | ||||
Set of atoms in the unit cell related by symmetry with the atom Ge1_2:
| Atom | x | y | z | ||||
|---|---|---|---|---|---|---|---|
| 1 | 0.00000 | 0.37500 | 0.31250 | ||||
| 2 | 0.25000 | 0.12500 | 0.06250 | ||||
| (0,1/2,1/2) + set click here to show and hide | |||||||
| 3 | 0.00000 | 0.87500 | 0.81250 | ||||
| 4 | 0.25000 | 0.62500 | 0.56250 | ||||
| (1/2,0,1/2) + set click here to show and hide | |||||||
| 5 | 0.50000 | 0.37500 | 0.81250 | ||||
| 6 | 0.75000 | 0.12500 | 0.56250 | ||||
| (1/2,1/2,0) + set click here to show and hide | |||||||
| 7 | 0.50000 | 0.87500 | 0.31250 | ||||
| 8 | 0.75000 | 0.62500 | 0.06250 | ||||
| (0,0,1/2)' + set click here to show and hide | |||||||
| 9 | 0.00000 | 0.37500 | 0.81250 | ||||
| 10 | 0.25000 | 0.12500 | 0.56250 | ||||
| (0,1/2,0)' + set click here to show and hide | |||||||
| 11 | 0.00000 | 0.87500 | 0.31250 | ||||
| 12 | 0.25000 | 0.62500 | 0.06250 | ||||
| (1/2,0,0)' + set click here to show and hide | |||||||
| 13 | 0.50000 | 0.37500 | 0.31250 | ||||
| 14 | 0.75000 | 0.12500 | 0.06250 | ||||
| (1/2,1/2,1/2)' + set click here to show and hide | |||||||
| 15 | 0.50000 | 0.87500 | 0.81250 | ||||
| 16 | 0.75000 | 0.62500 | 0.56250 | ||||
Set of atoms in the unit cell related by symmetry with the atom O1_1:
| Atom | x | y | z | ||||
|---|---|---|---|---|---|---|---|
| 1 | 0.00000 | 0.24550 | 0.36700 | ||||
| 2 | 0.87050 | 0.37500 | 0.25800 | ||||
| 3 | 0.62950 | 0.37500 | 0.25800 | ||||
| 4 | 0.00000 | 0.00450 | 0.36700 | ||||
| 5 | 0.12050 | 0.12500 | 0.00800 | ||||
| 6 | 0.87950 | 0.12500 | 0.00800 | ||||
| 7 | 0.75000 | 0.25450 | 0.61700 | ||||
| 8 | 0.75000 | 0.49550 | 0.61700 | ||||
| (0,1/2,1/2) + set click here to show and hide | |||||||
| 9 | 0.00000 | 0.74550 | 0.86700 | ||||
| 10 | 0.87050 | 0.87500 | 0.75800 | ||||
| 11 | 0.62950 | 0.87500 | 0.75800 | ||||
| 12 | 0.00000 | 0.50450 | 0.86700 | ||||
| 13 | 0.12050 | 0.62500 | 0.50800 | ||||
| 14 | 0.87950 | 0.62500 | 0.50800 | ||||
| 15 | 0.75000 | 0.75450 | 0.11700 | ||||
| 16 | 0.75000 | 0.99550 | 0.11700 | ||||
| (1/2,0,1/2) + set click here to show and hide | |||||||
| 17 | 0.50000 | 0.24550 | 0.86700 | ||||
| 18 | 0.37050 | 0.37500 | 0.75800 | ||||
| 19 | 0.12950 | 0.37500 | 0.75800 | ||||
| 20 | 0.50000 | 0.00450 | 0.86700 | ||||
| 21 | 0.62050 | 0.12500 | 0.50800 | ||||
| 22 | 0.37950 | 0.12500 | 0.50800 | ||||
| 23 | 0.25000 | 0.25450 | 0.11700 | ||||
| 24 | 0.25000 | 0.49550 | 0.11700 | ||||
| (1/2,1/2,0) + set click here to show and hide | |||||||
| 25 | 0.50000 | 0.74550 | 0.36700 | ||||
| 26 | 0.37050 | 0.87500 | 0.25800 | ||||
| 27 | 0.12950 | 0.87500 | 0.25800 | ||||
| 28 | 0.50000 | 0.50450 | 0.36700 | ||||
| 29 | 0.62050 | 0.62500 | 0.00800 | ||||
| 30 | 0.37950 | 0.62500 | 0.00800 | ||||
| 31 | 0.25000 | 0.75450 | 0.61700 | ||||
| 32 | 0.25000 | 0.99550 | 0.61700 | ||||
| (0,0,1/2)' + set click here to show and hide | |||||||
| 33 | 0.00000 | 0.24550 | 0.86700 | ||||
| 34 | 0.87050 | 0.37500 | 0.75800 | ||||
| 35 | 0.62950 | 0.37500 | 0.75800 | ||||
| 36 | 0.00000 | 0.00450 | 0.86700 | ||||
| 37 | 0.12050 | 0.12500 | 0.50800 | ||||
| 38 | 0.87950 | 0.12500 | 0.50800 | ||||
| 39 | 0.75000 | 0.25450 | 0.11700 | ||||
| 40 | 0.75000 | 0.49550 | 0.11700 | ||||
| (0,1/2,0)' + set click here to show and hide | |||||||
| 41 | 0.00000 | 0.74550 | 0.36700 | ||||
| 42 | 0.87050 | 0.87500 | 0.25800 | ||||
| 43 | 0.62950 | 0.87500 | 0.25800 | ||||
| 44 | 0.00000 | 0.50450 | 0.36700 | ||||
| 45 | 0.12050 | 0.62500 | 0.00800 | ||||
| 46 | 0.87950 | 0.62500 | 0.00800 | ||||
| 47 | 0.75000 | 0.75450 | 0.61700 | ||||
| 48 | 0.75000 | 0.99550 | 0.61700 | ||||
| (1/2,0,0)' + set click here to show and hide | |||||||
| 49 | 0.50000 | 0.24550 | 0.36700 | ||||
| 50 | 0.37050 | 0.37500 | 0.25800 | ||||
| 51 | 0.12950 | 0.37500 | 0.25800 | ||||
| 52 | 0.50000 | 0.00450 | 0.36700 | ||||
| 53 | 0.62050 | 0.12500 | 0.00800 | ||||
| 54 | 0.37950 | 0.12500 | 0.00800 | ||||
| 55 | 0.25000 | 0.25450 | 0.61700 | ||||
| 56 | 0.25000 | 0.49550 | 0.61700 | ||||
| (1/2,1/2,1/2)' + set click here to show and hide | |||||||
| 57 | 0.50000 | 0.74550 | 0.86700 | ||||
| 58 | 0.37050 | 0.87500 | 0.75800 | ||||
| 59 | 0.12950 | 0.87500 | 0.75800 | ||||
| 60 | 0.50000 | 0.50450 | 0.86700 | ||||
| 61 | 0.62050 | 0.62500 | 0.50800 | ||||
| 62 | 0.37950 | 0.62500 | 0.50800 | ||||
| 63 | 0.25000 | 0.75450 | 0.11700 | ||||
| 64 | 0.25000 | 0.99550 | 0.11700 | ||||
Set of atoms in the unit cell related by symmetry with the atom O1_2:
| Atom | x | y | z | ||||
|---|---|---|---|---|---|---|---|
| 1 | 0.87950 | 0.37500 | 0.49200 | ||||
| 2 | 0.00000 | 0.25450 | 0.13300 | ||||
| 3 | 0.50000 | 0.49550 | 0.13300 | ||||
| 4 | 0.12050 | 0.87500 | 0.49200 | ||||
| 5 | 0.25000 | 0.24550 | 0.88300 | ||||
| 6 | 0.75000 | 0.00450 | 0.88300 | ||||
| 7 | 0.62950 | 0.12500 | 0.74200 | ||||
| 8 | 0.87050 | 0.62500 | 0.74200 | ||||
| (0,1/2,1/2) + set click here to show and hide | |||||||
| 9 | 0.87950 | 0.87500 | 0.99200 | ||||
| 10 | 0.00000 | 0.75450 | 0.63300 | ||||
| 11 | 0.50000 | 0.99550 | 0.63300 | ||||
| 12 | 0.12050 | 0.37500 | 0.99200 | ||||
| 13 | 0.25000 | 0.74550 | 0.38300 | ||||
| 14 | 0.75000 | 0.50450 | 0.38300 | ||||
| 15 | 0.62950 | 0.62500 | 0.24200 | ||||
| 16 | 0.87050 | 0.12500 | 0.24200 | ||||
| (1/2,0,1/2) + set click here to show and hide | |||||||
| 17 | 0.37950 | 0.37500 | 0.99200 | ||||
| 18 | 0.50000 | 0.25450 | 0.63300 | ||||
| 19 | 0.00000 | 0.49550 | 0.63300 | ||||
| 20 | 0.62050 | 0.87500 | 0.99200 | ||||
| 21 | 0.75000 | 0.24550 | 0.38300 | ||||
| 22 | 0.25000 | 0.00450 | 0.38300 | ||||
| 23 | 0.12950 | 0.12500 | 0.24200 | ||||
| 24 | 0.37050 | 0.62500 | 0.24200 | ||||
| (1/2,1/2,0) + set click here to show and hide | |||||||
| 25 | 0.37950 | 0.87500 | 0.49200 | ||||
| 26 | 0.50000 | 0.75450 | 0.13300 | ||||
| 27 | 0.00000 | 0.99550 | 0.13300 | ||||
| 28 | 0.62050 | 0.37500 | 0.49200 | ||||
| 29 | 0.75000 | 0.74550 | 0.88300 | ||||
| 30 | 0.25000 | 0.50450 | 0.88300 | ||||
| 31 | 0.12950 | 0.62500 | 0.74200 | ||||
| 32 | 0.37050 | 0.12500 | 0.74200 | ||||
| (0,0,1/2)' + set click here to show and hide | |||||||
| 33 | 0.87950 | 0.37500 | 0.99200 | ||||
| 34 | 0.00000 | 0.25450 | 0.63300 | ||||
| 35 | 0.50000 | 0.49550 | 0.63300 | ||||
| 36 | 0.12050 | 0.87500 | 0.99200 | ||||
| 37 | 0.25000 | 0.24550 | 0.38300 | ||||
| 38 | 0.75000 | 0.00450 | 0.38300 | ||||
| 39 | 0.62950 | 0.12500 | 0.24200 | ||||
| 40 | 0.87050 | 0.62500 | 0.24200 | ||||
| (0,1/2,0)' + set click here to show and hide | |||||||
| 41 | 0.87950 | 0.87500 | 0.49200 | ||||
| 42 | 0.00000 | 0.75450 | 0.13300 | ||||
| 43 | 0.50000 | 0.99550 | 0.13300 | ||||
| 44 | 0.12050 | 0.37500 | 0.49200 | ||||
| 45 | 0.25000 | 0.74550 | 0.88300 | ||||
| 46 | 0.75000 | 0.50450 | 0.88300 | ||||
| 47 | 0.62950 | 0.62500 | 0.74200 | ||||
| 48 | 0.87050 | 0.12500 | 0.74200 | ||||
| (1/2,0,0)' + set click here to show and hide | |||||||
| 49 | 0.37950 | 0.37500 | 0.49200 | ||||
| 50 | 0.50000 | 0.25450 | 0.13300 | ||||
| 51 | 0.00000 | 0.49550 | 0.13300 | ||||
| 52 | 0.62050 | 0.87500 | 0.49200 | ||||
| 53 | 0.75000 | 0.24550 | 0.88300 | ||||
| 54 | 0.25000 | 0.00450 | 0.88300 | ||||
| 55 | 0.12950 | 0.12500 | 0.74200 | ||||
| 56 | 0.37050 | 0.62500 | 0.74200 | ||||
| (1/2,1/2,1/2)' + set click here to show and hide | |||||||
| 57 | 0.37950 | 0.87500 | 0.99200 | ||||
| 58 | 0.50000 | 0.75450 | 0.63300 | ||||
| 59 | 0.00000 | 0.99550 | 0.63300 | ||||
| 60 | 0.62050 | 0.37500 | 0.99200 | ||||
| 61 | 0.75000 | 0.74550 | 0.38300 | ||||
| 62 | 0.25000 | 0.50450 | 0.38300 | ||||
| 63 | 0.12950 | 0.62500 | 0.24200 | ||||
| 64 | 0.37050 | 0.12500 | 0.24200 | ||||
| Label | Atom type | x | y | z | Multiplicity | Symmetry constraints on M | Mx | My | Mz | |M| |
|---|---|---|---|---|---|---|---|---|---|---|
| Cu1 | Cu | 0.00000 | 0.00000 | 0.00000 | 64 | mx,my,mz | 0.626(31) | 0.626(31) | 0.0 | 0.89 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Cu1:
| Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
|---|---|---|---|---|---|---|---|
| 1 | 0.00000 | 0.00000 | 0.00000 | mx,my,mz | 0.62600 | 0.62600 | 0.00000 |
| 2 | 0.62500 | 0.37500 | 0.62500 | my,mx,-mz | 0.62600 | 0.62600 | 0.00000 |
| 3 | 0.87500 | 0.37500 | 0.62500 | -my,-mx,-mz | -0.62600 | -0.62600 | 0.00000 |
| 4 | 0.00000 | 0.25000 | 0.00000 | -mx,-my,mz | -0.62600 | -0.62600 | 0.00000 |
| 5 | 0.87500 | 0.12500 | 0.37500 | -my,mx,mz | -0.62600 | 0.62600 | 0.00000 |
| 6 | 0.12500 | 0.12500 | 0.37500 | my,-mx,mz | 0.62600 | -0.62600 | 0.00000 |
| 7 | 0.75000 | 0.50000 | 0.25000 | -mx,my,-mz | -0.62600 | 0.62600 | 0.00000 |
| 8 | 0.75000 | 0.25000 | 0.25000 | mx,-my,-mz | 0.62600 | -0.62600 | 0.00000 |
| (0,1/2,1/2) + set click here to show and hide | |||||||
| 9 | 0.00000 | 0.50000 | 0.50000 | mx,my,mz | 0.62600 | 0.62600 | 0.00000 |
| 10 | 0.62500 | 0.87500 | 0.12500 | my,mx,-mz | 0.62600 | 0.62600 | 0.00000 |
| 11 | 0.87500 | 0.87500 | 0.12500 | -my,-mx,-mz | -0.62600 | -0.62600 | 0.00000 |
| 12 | 0.00000 | 0.75000 | 0.50000 | -mx,-my,mz | -0.62600 | -0.62600 | 0.00000 |
| 13 | 0.87500 | 0.62500 | 0.87500 | -my,mx,mz | -0.62600 | 0.62600 | 0.00000 |
| 14 | 0.12500 | 0.62500 | 0.87500 | my,-mx,mz | 0.62600 | -0.62600 | 0.00000 |
| 15 | 0.75000 | 0.00000 | 0.75000 | -mx,my,-mz | -0.62600 | 0.62600 | 0.00000 |
| 16 | 0.75000 | 0.75000 | 0.75000 | mx,-my,-mz | 0.62600 | -0.62600 | 0.00000 |
| (1/2,0,1/2) + set click here to show and hide | |||||||
| 17 | 0.50000 | 0.00000 | 0.50000 | mx,my,mz | 0.62600 | 0.62600 | 0.00000 |
| 18 | 0.12500 | 0.37500 | 0.12500 | my,mx,-mz | 0.62600 | 0.62600 | 0.00000 |
| 19 | 0.37500 | 0.37500 | 0.12500 | -my,-mx,-mz | -0.62600 | -0.62600 | 0.00000 |
| 20 | 0.50000 | 0.25000 | 0.50000 | -mx,-my,mz | -0.62600 | -0.62600 | 0.00000 |
| 21 | 0.37500 | 0.12500 | 0.87500 | -my,mx,mz | -0.62600 | 0.62600 | 0.00000 |
| 22 | 0.62500 | 0.12500 | 0.87500 | my,-mx,mz | 0.62600 | -0.62600 | 0.00000 |
| 23 | 0.25000 | 0.50000 | 0.75000 | -mx,my,-mz | -0.62600 | 0.62600 | 0.00000 |
| 24 | 0.25000 | 0.25000 | 0.75000 | mx,-my,-mz | 0.62600 | -0.62600 | 0.00000 |
| (1/2,1/2,0) + set click here to show and hide | |||||||
| 25 | 0.50000 | 0.50000 | 0.00000 | mx,my,mz | 0.62600 | 0.62600 | 0.00000 |
| 26 | 0.12500 | 0.87500 | 0.62500 | my,mx,-mz | 0.62600 | 0.62600 | 0.00000 |
| 27 | 0.37500 | 0.87500 | 0.62500 | -my,-mx,-mz | -0.62600 | -0.62600 | 0.00000 |
| 28 | 0.50000 | 0.75000 | 0.00000 | -mx,-my,mz | -0.62600 | -0.62600 | 0.00000 |
| 29 | 0.37500 | 0.62500 | 0.37500 | -my,mx,mz | -0.62600 | 0.62600 | 0.00000 |
| 30 | 0.62500 | 0.62500 | 0.37500 | my,-mx,mz | 0.62600 | -0.62600 | 0.00000 |
| 31 | 0.25000 | 0.00000 | 0.25000 | -mx,my,-mz | -0.62600 | 0.62600 | 0.00000 |
| 32 | 0.25000 | 0.75000 | 0.25000 | mx,-my,-mz | 0.62600 | -0.62600 | 0.00000 |
| (0,0,1/2)' + set click here to show and hide | |||||||
| 33 | 0.00000 | 0.00000 | 0.50000 | -mx,-my,-mz | -0.62600 | -0.62600 | 0.00000 |
| 34 | 0.62500 | 0.37500 | 0.12500 | -my,-mx,mz | -0.62600 | -0.62600 | 0.00000 |
| 35 | 0.87500 | 0.37500 | 0.12500 | my,mx,mz | 0.62600 | 0.62600 | 0.00000 |
| 36 | 0.00000 | 0.25000 | 0.50000 | mx,my,-mz | 0.62600 | 0.62600 | 0.00000 |
| 37 | 0.87500 | 0.12500 | 0.87500 | my,-mx,-mz | 0.62600 | -0.62600 | 0.00000 |
| 38 | 0.12500 | 0.12500 | 0.87500 | -my,mx,-mz | -0.62600 | 0.62600 | 0.00000 |
| 39 | 0.75000 | 0.50000 | 0.75000 | mx,-my,mz | 0.62600 | -0.62600 | 0.00000 |
| 40 | 0.75000 | 0.25000 | 0.75000 | -mx,my,mz | -0.62600 | 0.62600 | 0.00000 |
| (0,1/2,0)' + set click here to show and hide | |||||||
| 41 | 0.00000 | 0.50000 | 0.00000 | -mx,-my,-mz | -0.62600 | -0.62600 | 0.00000 |
| 42 | 0.62500 | 0.87500 | 0.62500 | -my,-mx,mz | -0.62600 | -0.62600 | 0.00000 |
| 43 | 0.87500 | 0.87500 | 0.62500 | my,mx,mz | 0.62600 | 0.62600 | 0.00000 |
| 44 | 0.00000 | 0.75000 | 0.00000 | mx,my,-mz | 0.62600 | 0.62600 | 0.00000 |
| 45 | 0.87500 | 0.62500 | 0.37500 | my,-mx,-mz | 0.62600 | -0.62600 | 0.00000 |
| 46 | 0.12500 | 0.62500 | 0.37500 | -my,mx,-mz | -0.62600 | 0.62600 | 0.00000 |
| 47 | 0.75000 | 0.00000 | 0.25000 | mx,-my,mz | 0.62600 | -0.62600 | 0.00000 |
| 48 | 0.75000 | 0.75000 | 0.25000 | -mx,my,mz | -0.62600 | 0.62600 | 0.00000 |
| (1/2,0,0)' + set click here to show and hide | |||||||
| 49 | 0.50000 | 0.00000 | 0.00000 | -mx,-my,-mz | -0.62600 | -0.62600 | 0.00000 |
| 50 | 0.12500 | 0.37500 | 0.62500 | -my,-mx,mz | -0.62600 | -0.62600 | 0.00000 |
| 51 | 0.37500 | 0.37500 | 0.62500 | my,mx,mz | 0.62600 | 0.62600 | 0.00000 |
| 52 | 0.50000 | 0.25000 | 0.00000 | mx,my,-mz | 0.62600 | 0.62600 | 0.00000 |
| 53 | 0.37500 | 0.12500 | 0.37500 | my,-mx,-mz | 0.62600 | -0.62600 | 0.00000 |
| 54 | 0.62500 | 0.12500 | 0.37500 | -my,mx,-mz | -0.62600 | 0.62600 | 0.00000 |
| 55 | 0.25000 | 0.50000 | 0.25000 | mx,-my,mz | 0.62600 | -0.62600 | 0.00000 |
| 56 | 0.25000 | 0.25000 | 0.25000 | -mx,my,mz | -0.62600 | 0.62600 | 0.00000 |
| (1/2,1/2,1/2)' + set click here to show and hide | |||||||
| 57 | 0.50000 | 0.50000 | 0.50000 | -mx,-my,-mz | -0.62600 | -0.62600 | 0.00000 |
| 58 | 0.12500 | 0.87500 | 0.12500 | -my,-mx,mz | -0.62600 | -0.62600 | 0.00000 |
| 59 | 0.37500 | 0.87500 | 0.12500 | my,mx,mz | 0.62600 | 0.62600 | 0.00000 |
| 60 | 0.50000 | 0.75000 | 0.50000 | mx,my,-mz | 0.62600 | 0.62600 | 0.00000 |
| 61 | 0.37500 | 0.62500 | 0.87500 | my,-mx,-mz | 0.62600 | -0.62600 | 0.00000 |
| 62 | 0.62500 | 0.62500 | 0.87500 | -my,mx,-mz | -0.62600 | 0.62600 | 0.00000 |
| 63 | 0.25000 | 0.00000 | 0.75000 | mx,-my,mz | 0.62600 | -0.62600 | 0.00000 |
| 64 | 0.25000 | 0.75000 | 0.75000 | -mx,my,mz | -0.62600 | 0.62600 | 0.00000 |
| label | dim. full irrep | dim. small irrep | direction | action | number of modes |
| mP2 | 4 | 4 | special | primary | 3 |
|
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