Pbcn D2h14 mmm Orthorhombic info
No. 60 P21/b2/c21/n Patterson symmetry Pmmm

symmetry group diagram

Origin at -1 on 1 c 1

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

Symmetry operations

(1)  1   (2)  2(0, 0, 1/2)   1/41/4z(3)  2   0, y1/4(4)  2(1/2, 0, 0)   x1/4, 0
(5)  -1   0, 0, 0(6)  n(1/21/2, 0)   xy1/4(7)  c   x, 0, z(8)  b   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-y + 1/2z + 1/2(3) -xy-z + 1/2(4) x + 1/2-y + 1/2-z
(5) -x-y-z(6) x + 1/2y + 1/2-z + 1/2(7) x-yz + 1/2(8) -x + 1/2y + 1/2z
0kl : k = 2n
h0l : l = 2n
hk0 : h + k = 2n
h00 : h = 2n
0k0 : k = 2n
00l : l = 2n
    Special: as above, plus
4 c  . 2 . 
0, y1/4 1/2-y + 1/23/4 0, -y3/4 1/2y + 1/21/4
hkl : h + k = 2n
4 b  -1 
0, 1/2, 0 1/2, 0, 1/2 0, 1/21/2 1/2, 0, 0
hkl : h + kl = 2n
4 a  -1 
0, 0, 0 1/21/21/2 0, 0, 1/2 1/21/2, 0
hkl : h + kl = 2n

Symmetry of special projections

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

Maximal non-isomorphic subgroups

I [2] P21cn (Pna21, 33)1; 4; 6; 7
  [2] Pb2n (Pnc2, 30)1; 3; 6; 8
  [2] Pbc21 (Pca21, 29)1; 2; 7; 8
  [2] P21221 (P21212, 18)1; 2; 3; 4
  [2] P1121/n (P21/c, 14)1; 2; 5; 6
  [2] P21/b11 (P21/c, 14)1; 4; 5; 8
  [2] P12/c1 (P2/c, 13)1; 3; 5; 7
IIa none
IIbnone

Maximal isomorphic subgroups of lowest index

IIc[3] Pbcn (a' = 3a) (60); [3] Pbcn (b' = 3b) (60); [3] Pbcn (c' = 3c) (60)

Minimal non-isomorphic supergroups

Inone
II[2] Cmcm (63); [2] Aema (Cmce, 64); [2] Bbeb (Ccce, 68); [2] Ibam (72); [2] Pbmn (c' = 1/2c) (Pmna, 53); [2] Pbcb (a' = 1/2a) (Pcca, 54); [2] Pmca (b' = 1/2b) (Pbcm, 57)








































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