Pnma D2h16 mmm Orthorhombic info
No. 62 P21/n21/m21/a Patterson symmetry Pmmm

symmetry group diagram

Origin at -1 on 1 21 1

Asymmetric unit 0 ≤ x ≤ 1/2; 0 ≤ y ≤ 1/4; 0 ≤ z ≤ 1

Symmetry operations

(1)  1   (2)  2(0, 0, 1/2)   1/4, 0, z(3)  2(0, 1/2, 0)   0, y, 0(4)  2(1/2, 0, 0)   x1/41/4
(5)  -1   0, 0, 0(6)  a   xy1/4(7)  m   x1/4z(8)  n(0, 1/21/2)   1/4yz

Generators selected (1); t(1, 0, 0); t(0, 1, 0); t(0, 0, 1); (2); (3); (5)

Positions

Multiplicity, Wyckoff letter,
Site symmetry
Coordinates Reflection conditions
 General:
8 d 1
(1) xyz(2) -x + 1/2-yz + 1/2(3) -xy + 1/2-z(4) x + 1/2-y + 1/2-z + 1/2
(5) -x-y-z(6) x + 1/2y-z + 1/2(7) x-y + 1/2z(8) -x + 1/2y + 1/2z + 1/2
0kl : k + l = 2n
hk0 : h = 2n
h00 : h = 2n
0k0 : k = 2n
00l : l = 2n
    Special: as above, plus
4 c  . m . 
x1/4z -x + 1/23/4z + 1/2 -x3/4-zx + 1/21/4-z + 1/2
no extra conditions
4 b  -1 
0, 0, 1/2 1/2, 0, 0 0, 1/21/2 1/21/2, 0
hkl : h + lk = 2n
4 a  -1 
0, 0, 0 1/2, 0, 1/2 0, 1/2, 0 1/21/21/2
hkl : h + lk = 2n

Symmetry of special projections

Along [001]   p2gm
a' = 1/2a   b' = b   
Origin at 0, 0, z
Along [100]   c2mm
a' = b   b' = c   
Origin at x1/41/4
Along [010]   p2gg
a' = c   b' = a   
Origin at 0, y, 0

Maximal non-isomorphic subgroups

I [2] Pn21a (Pna21, 33)1; 3; 6; 8
  [2] Pnm21 (Pmn21, 31)1; 2; 7; 8
  [2] P21ma (Pmc21, 26)1; 4; 6; 7
  [2] P212121 (19)1; 2; 3; 4
  [2] P1121/a (P21/c, 14)1; 2; 5; 6
  [2] P21/n11 (P21/c, 14)1; 4; 5; 8
  [2] P121/m1 (P21/m, 11)1; 3; 5; 7
IIa none
IIbnone

Maximal isomorphic subgroups of lowest index

IIc[3] Pnma (a' = 3a) (62); [3] Pnma (b' = 3b) (62); [3] Pnma (c' = 3c) (62)

Minimal non-isomorphic supergroups

Inone
II[2] Amma (Cmcm, 63); [2] Bbmm (Cmcm, 63); [2] Ccme (Cmce, 64); [2] Imma (74); [2] Pcma (b' = 1/2b) (Pbam, 55); [2] Pbma (c' = 1/2c) (Pbcm, 57); [2] Pnmm (a' = 1/2a) (Pmmn, 59)








































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