Hahn Th. (ed.) International tables for crystallography. Vol. A. Space-group symmetry
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P6
3
/mC
2
6h
6/m Hexagonal
No. 176 P6
3
/m Patterson symmetry P6/m
Origin at centre (
¯
3) on 6
3
Asymmetric unit 0 ≤ x ≤
2
3
;0≤ y ≤
2
3
;0≤ z ≤
1
4
; x ≤ (1 + y)/2; y ≤ min(1 − x,(1 + x)/2)
Vertices 0,0, 0
1
2
,0, 0
2
3
,
1
3
,0
1
3
,
2
3
,00,
1
2
,0
0,0,
1
4
1
2
,0,
1
4
2
3
,
1
3
,
1
4
1
3
,
2
3
,
1
4
0,
1
2
,
1
4
Symmetry operations
(1) 1 (2) 3
+
0,0,z (3) 3
−
0,0,z
(4) 2(0,0,
1
2
) 0,0,z (5) 6
−
(0,0,
1
2
) 0,0,z (6) 6
+
(0,0,
1
2
) 0,0,z
(7)
¯
10, 0,0(8)
¯
3
+
0,0,z;0,0, 0(9)
¯
3
−
0,0,z;0,0,0
(10) mx,y,
1
4
(11)
¯
6
−
0,0,z;0,0,
1
4
(12)
¯
6
+
0,0,z;0,0,
1
4
564
International Tables for Crystallography (2006). Vol. A, Space group 176, pp. 564–565.
Copyright © 2006 International Union of Crystallography
CONTINUED No. 176 P6
3
/m
Generators selected (1); t(1, 0,0); t(0,1,0); t(0,0,1); (2); (4); (7)
Positions
Multiplicity,
Wyckoff letter,
Site symmetry
Coordinates Reflection conditions
General:
12 i 1(1)x, y,z (2) ¯y,x − y, z (3) ¯x + y, ¯x,z
(4) ¯x, ¯y, z +
1
2
(5) y, ¯x + y, z +
1
2
(6) x − y,x, z +
1
2
(7) ¯x, ¯y, ¯z (8) y, ¯x+ y, ¯z (9) x − y,x, ¯z
(10) x,y, ¯z +
1
2
(11) ¯y,x − y, ¯z +
1
2
(12) ¯x + y, ¯x, ¯z +
1
2
000l : l = 2n
Special: as above, plus
6 hm.. x, y,
1
4
¯y,x − y,
1
4
¯x + y, ¯x,
1
4
¯x, ¯y,
3
4
y, ¯x + y,
3
4
x − y, x,
3
4
no extra conditions
6 g
¯
1
1
2
,0, 00,
1
2
,0
1
2
,
1
2
,0
1
2
,0,
1
2
0,
1
2
,
1
2
1
2
,
1
2
,
1
2
hkil : l = 2n
4 f 3 ..
1
3
,
2
3
,z
2
3
,
1
3
,z +
1
2
2
3
,
1
3
, ¯z
1
3
,
2
3
, ¯z +
1
2
hkil : l = 2n
or h − k = 3n + 1
or h − k = 3n + 2
4 e 3 .. 0,0,z 0,0, z +
1
2
0,0, ¯z 0,0 , ¯z +
1
2
hkil : l = 2n
2 d
¯
6 ..
2
3
,
1
3
,
1
4
1
3
,
2
3
,
3
4
hkil : l = 2n
or h − k = 3n + 1
or h − k = 3n + 2
2 c
¯
6 ..
1
3
,
2
3
,
1
4
2
3
,
1
3
,
3
4
hkil : l = 2n
or h − k = 3n + 1
or h − k = 3n + 2
2 b
¯
3 .. 0,0 , 00,0,
1
2
hkil : l = 2n
2 a
¯
6 .. 0,0 ,
1
4
0,0,
3
4
hkil : l = 2n
Symmetry of special projections
Along [001] p6
a
= ab
= b
Origin at 0,0,z
Along [100] p2gm
a
=
1
2
(a + 2b) b
= c
Origin at x,0,0
Along [210] p2gm
a
=
1
2
bb
= c
Origin at x,
1
2
x,0
Maximal non-isomorphic subgroups
I
[2] P
¯
6 (174) 1; 2; 3; 10; 11; 12
[2] P6
3
(173) 1; 2; 3; 4; 5; 6
[2] P
¯
3 (147) 1; 2; 3; 7; 8; 9
[3] P2
1
/m (11) 1; 4; 7; 10
IIa none
IIb none
Maximal isomorphic subgroups of lowest index
IIc
[3] P6
3
/m (c
= 3c) (176); [3] H 6
3
/m (a
= 3a,b
= 3b)(P6
3
/m, 176)
Minimal non-isomorphic supergroups
I
[2] P6
3
/mcm (193); [2] P6
3
/mmc (194)
II [2] P6/m (c
=
1
2
c) (175)
565
P622 D
1
6
622 Hexagonal
No. 177 P622
Patterson symmetry P6/mmm
Origin at 622
Asymmetric unit 0 ≤ x ≤
2
3
;0≤ y ≤
1
2
;0≤ z ≤
1
2
; x ≤ (1 + y)/2; y ≤ min(1 − x,x)
Vertices 0,0, 0
1
2
,0, 0
2
3
,
1
3
,0
1
2
,
1
2
,0
0,0,
1
2
1
2
,0,
1
2
2
3
,
1
3
,
1
2
1
2
,
1
2
,
1
2
Symmetry operations
(1) 1 (2) 3
+
0,0,z (3) 3
−
0,0,z
(4) 2 0,0,z (5) 6
−
0,0,z (6) 6
+
0,0,z
(7) 2 x,x,0(8)2x,0,0(9)20,y,0
(10) 2 x, ¯x,0 (11) 2 x,2x,0 (12) 2 2x, x,0
Maximal isomorphic subgroups of lowest index
IIc
[2] P622 (c
= 2c) (177); [3] H 622(a
= 3a,b
= 3b)(P622, 177)
Minimal non-isomorphic supergroups
I
[2] P6/mmm(191); [2] P6/mcc (192)
II none
566
International Tables for Crystallography (2006). Vol. A, Space group 177, pp. 566–567.
Copyright © 2006 International Union of Crystallography
CONTINUED No. 177 P622
Generators selected (1); t(1, 0,0); t(0,1,0); t(0,0,1); (2); (4); (7)
Positions
Multiplicity,
Wyckoff letter,
Site symmetry
Coordinates Reflection conditions
General:
12 n 1(1)x,y, z (2) ¯y,x − y,z (3) ¯x + y, ¯x,z
(4) ¯x, ¯y, z (5) y, ¯x + y,z (6) x − y,x , z
(7) y,x, ¯z (8) x − y, ¯y, ¯z (9) ¯x, ¯x + y, ¯z
(10) ¯y, ¯x, ¯z (11) ¯x+ y,y, ¯z (12) x,x − y
, ¯z
no conditions
Special: no extra conditions
6 m ..2 x, ¯x,
1
2
x,2x,
1
2
2¯x, ¯x,
1
2
¯x,x,
1
2
¯x,2¯x,
1
2
2x,x,
1
2
6 l ..2 x, ¯x,0 x,2x,02¯x, ¯x,0¯x,x,0¯x,2¯x, 02x,x,0
6 k . 2 . x,0,
1
2
0,x,
1
2
¯x, ¯x,
1
2
¯x,0,
1
2
0, ¯x,
1
2
x,x,
1
2
6 j . 2 . x,0,00,x,0¯x, ¯x,0¯x,0,00, ¯x, 0 x,x,0
6 i 2 ..
1
2
,0, z 0,
1
2
,z
1
2
,
1
2
,z 0,
1
2
, ¯z
1
2
,0, ¯z
1
2
,
1
2
, ¯z
4 h 3 ..
1
3
,
2
3
,z
2
3
,
1
3
,z
2
3
,
1
3
, ¯z
1
3
,
2
3
, ¯z
3 g 222
1
2
,0,
1
2
0,
1
2
,
1
2
1
2
,
1
2
,
1
2
3 f 222
1
2
,0, 00,
1
2
,0
1
2
,
1
2
,0
2 e 6 .. 0,0,z 0,0, ¯z
2 d 3 . 2
1
3
,
2
3
,
1
2
2
3
,
1
3
,
1
2
2 c 3 . 2
1
3
,
2
3
,0
2
3
,
1
3
,0
1 b 622 0,0,
1
2
1 a 622 0,0,0
Symmetry of special projections
Along [001] p6mm
a
= ab
= b
Origin at 0,0,z
Along [100] p2mm
a
=
1
2
(a + 2b) b
= c
Origin at x,0,0
Along [210] p2mm
a
=
1
2
bb
= c
Origin at x,
1
2
x,0
Maximal non-isomorphic subgroups
I
[2] P611 (P6, 168) 1; 2; 3; 4; 5; 6
[2] P321 (150) 1; 2; 3; 7; 8; 9
[2] P312 (149) 1; 2; 3; 10; 11; 12
[3] P222 (C222, 21) 1; 4; 7; 10
[3] P222 (C222, 21) 1; 4; 8; 11
[3] P222 (C222, 21) 1; 4; 9; 12
IIa none
IIb [2] P6
3
22(c
= 2c) (182); [3] P6
4
22(c
= 3c) (181); [3] P6
2
22(c
= 3c) (180)
(Continued on preceding page)
567
P6
1
22 D
2
6
622 Hexagonal
No. 178 P6
1
22 Patterson symmetry P6/mmm
Origin on 2[100] at 6
1
(2,1, 1)1
Asymmetric unit 0 ≤ x ≤ 1; 0 ≤ y ≤ 1; 0 ≤ z ≤
1
12
Vertices 0,0, 01, 0,01,1,00, 1,0
0,0,
1
12
1,0,
1
12
1,1,
1
12
0,1,
1
12
Symmetry operations
(1) 1 (2) 3
+
(0,0,
1
3
) 0,0,z (3) 3
−
(0,0,
2
3
) 0,0,z
(4) 2(0,0,
1
2
) 0,0,z (5) 6
−
(0,0,
5
6
) 0,0,z (6) 6
+
(0,0,
1
6
) 0,0,z
(7) 2 x,x,
1
6
(8) 2 x,0,0(9)20,y,
1
3
(10) 2 x, ¯x,
5
12
(11) 2 x,2x,
1
4
(12) 2 2x,x,
1
12
568
International Tables for Crystallography (2006). Vol. A, Space group 178, pp. 568–569.
Copyright © 2006 International Union of Crystallography
CONTINUED No. 178 P6
1
22
Generators selected (1); t(1, 0,0); t(0,1,0); t(0,0,1); (2); (4); (7)
Positions
Multiplicity,
Wyckoff letter,
Site symmetry
Coordinates Reflection conditions
General:
12 c 1(1)x,y, z (2) ¯y,x − y,z +
1
3
(3) ¯x + y, ¯x,z +
2
3
(4) ¯x, ¯y, z +
1
2
(5) y, ¯x + y, z +
5
6
(6) x − y,x, z +
1
6
(7) y,x, ¯z +
1
3
(8) x − y, ¯y, ¯z (9) ¯x, ¯x + y, ¯z +
2
3
(10) ¯y, ¯x, ¯z +
5
6
(11) ¯x + y, y, ¯z +
1
2
(12) x,x − y, ¯z +
1
6
000l : l = 6n
Special: as above, plus
6 b ..2 x,2x,
1
4
2¯x, ¯x,
7
12
x, ¯x,
11
12
¯x,2¯x,
3
4
2x,x,
1
12
¯x,x,
5
12
hh2hl : l = 2n
or l = 3n + 1
or l = 3n + 2
6 a . 2 . x,0,00,x,
1
3
¯x, ¯x,
2
3
¯x,0,
1
2
0, ¯x,
5
6
x,x,
1
6
h
¯
h0l : l = 2n
or l = 3n + 1
or l = 3n + 2
Symmetry of special projections
Along [001] p6mm
a
= ab
= b
Origin at 0,0,z
Along [100] p2gm
a
=
1
2
(a + 2b) b
= c
Origin at x, 0,0
Along [210] p2gm
a
=
1
2
bb
= c
Origin at x,
1
2
x,
1
12
Maximal non-isomorphic subgroups
I
[2] P6
1
11(P6
1
, 169) 1; 2; 3; 4; 5; 6
[2] P3
1
21 (152) 1; 2; 3; 7; 8; 9
[2] P3
1
12 (151) 1; 2; 3; 10; 11; 12
[3] P2
1
22(C222
1
, 20) 1; 4; 7; 10
[3] P2
1
22(C222
1
, 20) 1; 4; 8; 11
[3] P2
1
22(C222
1
, 20) 1; 4; 9; 12
IIa none
IIb none
Maximal isomorphic subgroups of lowest index
IIc
[3] H 6
1
22(a
= 3a,b
= 3b)(P6
1
22, 178); [5] P6
5
22(c
= 5c) (179); [7] P6
1
22(c
= 7c) (178)
Minimal non-isomorphic supergroups
I
none
II [2] P6
2
22(c
=
1
2
c) (180); [3] P6
3
22(c
=
1
3
c) (182)
569
P6
5
22 D
3
6
622 Hexagonal
No. 179 P6
5
22 Patterson symmetry P6/mmm
Origin on 2[100] at 6
5
(2,1, 1)1
Asymmetric unit 0 ≤ x ≤ 1; 0 ≤ y ≤ 1; 0 ≤ z ≤
1
12
Vertices 0,0, 01, 0,01,1,00, 1,0
0,0,
1
12
1,0,
1
12
1,1,
1
12
0,1,
1
12
Symmetry operations
(1) 1 (2) 3
+
(0,0,
2
3
) 0,0,z (3) 3
−
(0,0,
1
3
) 0,0,z
(4) 2(0,0,
1
2
) 0,0,z (5) 6
−
(0,0,
1
6
) 0,0,z (6) 6
+
(0,0,
5
6
) 0,0,z
(7) 2 x,x,
1
3
(8) 2 x,0,0(9)20,y,
1
6
(10) 2 x, ¯x,
1
12
(11) 2 x,2x,
1
4
(12) 2 2x,x,
5
12
570
International Tables for Crystallography (2006). Vol. A, Space group 179, pp. 570–571.
Copyright © 2006 International Union of Crystallography
CONTINUED No. 179 P6
5
22
Generators selected (1); t(1, 0,0); t(0,1,0); t(0,0,1); (2); (4); (7)
Positions
Multiplicity,
Wyckoff letter,
Site symmetry
Coordinates Reflection conditions
General:
12 c 1(1)x,y, z (2) ¯y,x − y,z +
2
3
(3) ¯x + y, ¯x,z +
1
3
(4) ¯x, ¯y, z +
1
2
(5) y, ¯x + y, z +
1
6
(6) x − y,x, z +
5
6
(7) y,x, ¯z +
2
3
(8) x − y, ¯y, ¯z (9) ¯x, ¯x + y, ¯z +
1
3
(10) ¯y, ¯x, ¯z +
1
6
(11) ¯x + y, y, ¯z +
1
2
(12) x,x − y, ¯z +
5
6
000l : l = 6n
Special: as above, plus
6 b ..2 x,2x,
3
4
2¯x, ¯x,
5
12
x, ¯x,
1
12
¯x,2¯x,
1
4
2x,x,
11
12
¯x,x,
7
12
hh2hl : l = 2n
or l = 3n + 1
or l = 3n + 2
6 a . 2 . x,0,00,x,
2
3
¯x, ¯x,
1
3
¯x,0,
1
2
0, ¯x,
1
6
x,x,
5
6
h
¯
h0l : l = 2n
or l = 3n + 1
or l = 3n + 2
Symmetry of special projections
Along [001] p6mm
a
= ab
= b
Origin at 0,0,z
Along [100] p2gm
a
=
1
2
(a + 2b) b
= c
Origin at x, 0,0
Along [210] p2gm
a
=
1
2
bb
= c
Origin at x,
1
2
x,
5
12
Maximal non-isomorphic subgroups
I
[2] P6
5
11(P6
5
, 170) 1; 2; 3; 4; 5; 6
[2] P3
2
21 (154) 1; 2; 3; 7; 8; 9
[2] P3
2
12 (153) 1; 2; 3; 10; 11; 12
[3] P2
1
22(C222
1
, 20) 1; 4; 7; 10
[3] P2
1
22(C222
1
, 20) 1; 4; 8; 11
[3] P2
1
22(C222
1
, 20) 1; 4; 9; 12
IIa none
IIb none
Maximal isomorphic subgroups of lowest index
IIc
[3] H 6
5
22(a
= 3a,b
= 3b)(P6
5
22, 179); [5] P6
1
22(c
= 5c) (178); [7] P6
5
22(c
= 7c) (179)
Minimal non-isomorphic supergroups
I
none
II [2] P6
4
22(c
=
1
2
c) (181); [3] P6
3
22(c
=
1
3
c) (182)
571
P6
2
22 D
4
6
622 Hexagonal
No. 180 P6
2
22 Patterson symmetry P6/mmm
Origin at 222 at 6
2
(2,1, 1)(1, 2,1)
Asymmetric unit 0 ≤ x ≤ 1; 0 ≤ y ≤ 1; 0 ≤ z ≤
1
6
; y ≤ x
Vertices 0,0, 01,0, 01,1,0
0,0,
1
6
1,0,
1
6
1,1,
1
6
Symmetry operations
(1) 1 (2) 3
+
(0,0,
2
3
) 0,0,z (3) 3
−
(0,0,
1
3
) 0,0,z
(4) 2 0,0,z (5) 6
−
(0,0,
2
3
) 0,0,z (6) 6
+
(0,0,
1
3
) 0,0,z
(7) 2 x,x,
1
3
(8) 2 x,0,0(9)20,y,
1
6
(10) 2 x, ¯x,
1
3
(11) 2 x,2x,0 (12) 2 2x , x,
1
6
572
International Tables for Crystallography (2006). Vol. A, Space group 180, pp. 572–573.
Copyright © 2006 International Union of Crystallography
CONTINUED No. 180 P6
2
22
Generators selected (1); t(1, 0,0); t(0,1,0); t(0,0,1); (2); (4); (7)
Positions
Multiplicity,
Wyckoff letter,
Site symmetry
Coordinates Reflection conditions
General:
12 k 1(1)x,y, z (2) ¯y,x − y,z +
2
3
(3) ¯x + y, ¯x,z +
1
3
(4) ¯x, ¯y, z (5) y, ¯x + y, z +
2
3
(6) x − y,x, z +
1
3
(7) y,x, ¯z +
2
3
(8) x − y, ¯y, ¯z (9) ¯x, ¯x + y, ¯z +
1
3
(10) ¯y, ¯x, ¯z +
2
3
(11) ¯x + y, y, ¯z (12) x,x − y, ¯z +
1
3
000l : l = 3n
Special: as above, plus
6 j ..2 x,2x,
1
2
2¯x, ¯x,
1
6
x, ¯x,
5
6
¯x,2¯x,
1
2
2x,x,
1
6
¯x,x,
5
6
no extra conditions
6 i ..2 x,2x,02¯x, ¯x,
2
3
x, ¯x,
1
3
¯x,2¯x, 02x, x,
2
3
¯x,x,
1
3
no extra conditions
6 h . 2 . x,0,
1
2
0,x,
1
6
¯x, ¯x,
5
6
¯x,0,
1
2
0, ¯x,
1
6
x,x,
5
6
no extra conditions
6 g . 2 . x,0,00,x,
2
3
¯x, ¯x,
1
3
¯x,0,00, ¯x,
2
3
x,x,
1
3
no extra conditions
6 f 2 ..
1
2
,0, z 0,
1
2
,z +
2
3
1
2
,
1
2
,z +
1
3
0,
1
2
, ¯z +
2
3
1
2
,0, ¯z
1
2
,
1
2
, ¯z +
1
3
hkil : h = 2n + 1
or k = 2 n + 1
or l = 3n
6 e 2 .. 0,0,z 0, 0,z +
2
3
0,0,z +
1
3
0,0, ¯z +
2
3
0,0, ¯z 0,0 , ¯z +
1
3
hkil : l = 3n
3 d 222
1
2
,0,
1
2
0,
1
2
,
1
6
1
2
,
1
2
,
5
6
hkil : h = 2n + 1
or k = 2 n + 1
or l = 3n
3 c 222
1
2
,0, 00,
1
2
,
2
3
1
2
,
1
2
,
1
3
hkil : h = 2n + 1
or k = 2 n + 1
or l = 3n
3 b 222 0,0,
1
2
0,0,
1
6
0,0,
5
6
hkil : l = 3n
3 a 222 0,0, 00,0,
2
3
0,0,
1
3
hkil : l = 3n
Symmetry of special projections
Along [001] p6mm
a
= ab
= b
Origin at 0,0,z
Along [100] p2mm
a
=
1
2
(a + 2b) b
= c
Origin at x,0,0
Along [210] p2mm
a
=
1
2
bb
= c
Origin at x,
1
2
x,
1
6
Maximal non-isomorphic subgroups
I
[2] P6
2
11(P6
2
, 171) 1; 2; 3; 4; 5; 6
[2] P3
2
21 (154) 1; 2; 3; 7; 8; 9
[2] P3
2
12 (153) 1; 2; 3; 10; 11; 12
[3] P222 (C222, 21) 1; 4; 7; 10
[3] P222 (C222, 21) 1; 4; 8; 11
[3] P222 (C222, 21) 1; 4; 9; 12
IIa none
IIb [2] P6
1
22(c
= 2c) (178)
Maximal isomorphic subgroups of lowest index
IIc
[2] P6
4
22(c
= 2c) (181); [3] H 6
2
22(a
= 3a,b
= 3b)(P6
2
22, 180); [7] P6
2
22(c
= 7c) (180)
Minimal non-isomorphic supergroups
I
none
II [3] P622(c
=
1
3
c) (177)
573