P21/c | No. 14 | C2h5 |
P 1 21/c 1 | |||||||
UNIQUE AXIS b |
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CELL CHOICE 1 |
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Axes | Coordinates | Wyckoff positions | |||||
2a | 2b | 2c | 2d | 4e | |||
I Maximal translationengleiche subgroups | |||||||
[2] P1c1 (7) | x, y + (1/4), z | 2a | 2a | 2a | 2a | 2 × 2a | |
[2] P1211 (4) | x, y, z + (1/4) | 2a | 2a | 2a | 2a | 2 × 2a | |
[2] P-1 (2) | 1a; 1g | 1d; 1h | 1b; 1c | 1e; 1f | 2 × 2i | ||
II Maximal klassengleiche subgroups | |||||||
Enlarged unit cell, isomorphic | |||||||
[3] P121/c1 | a, 3b, c | x, (1/3)y, z; ±(0, (1/3), 0) | 2a; 4e | 2b; 4e | 2c; 4e | 2d; 4e | 3 × 4e |
[p] P121/c1 | a, pb, c | x, (1/p)y, z; +(0, (u/p), 0) | 2a; ((p - 1)/2) × 4e | 2b; ((p - 1)/2) × 4e | 2c; ((p - 1)/2) × 4e | 2d; ((p - 1)/2) × 4e | p × 4e |
p = prime > 2; u = 1, . . ., p - 1 | |||||||
[2] P121/c1 | 2a, b, c | (1/2)x, y, z; +((1/2), 0, 0) | 2a; 2b(d† ) | 4e | 2c; 2d(b† ) | 4e | 2 × 4e |
[2] P121/c1 | 2a, b, c | (1/2)x + (1/4), y, z; +((1/2), 0, 0) | 4e | 2a(c† ); 2b | 4e | 2c(a† ); 2d | 2 × 4e |
[2] P121/n1 | 2a, b, c | (1/2)x, y, z; +((1/2), 0, 0) | 2a; 2d(b† ) | 4e | 2b(d† ); 2c | 4e | 2 × 4e |
[2] P121/n1 | 2a, b, c | (1/2)x + (1/4), y, z; +((1/2), 0, 0) | 4e | 2a; 2d | 4e | 2b; 2c | 2 × 4e |
[3] P121/c1 | 3a, b, c | (1/3)x, y, z; ±((1/3), 0, 0) | 2a; 4e | 2b; 4e | 2c; 4e | 2d; 4e | 3 × 4e |
[3] P121/c1 | a, b, 3c | x, y, (1/3)z; ±(0, 0, (1/3)) | 2a; 4e | 2b; 4e | 2c; 4e | 2d; 4e | 3 × 4e |
[3] P121/c1 | a - c, b, 3c | x, y, (1/3)(x + z); ±(0, 0, (1/3)) | 2a; 4e | 2d; 4e | 2c; 4e | 2b; 4e | 3 × 4e |
[3] P121/c1 | a + c, b, 3c | x, y, (1/3)(-x + z); ±(0, 0, (1/3)) | 2a; 4e | 2d; 4e | 2c; 4e | 2b; 4e | 3 × 4e |
or: | 3a, b, -2a + c | (1/3)(x + 2z), y, z; ±((1/3), 0, 0) | 2a; 4e | 2b; 4e | 2c; 4e | 2d; 4e | 3 × 4e |
[p] P121/c1 | pa, b, c | (1/p)x, y, z; +((u/p), 0, 0) | 2a; ((p - 1)/2) × 4e | 2b; ((p - 1)/2) × 4e | 2c; ((p - 1)/2) × 4e | 2d; ((p - 1)/2) × 4e | p × 4e |
p = prime > 2; u = 1, . . ., p - 1 | |||||||
[p] P121/c1 | a + qc, b, pc | x, y, (1/p)(-qx + z); +(0, 0, (u/p)) | 2a; ((p - 1)/2) × 4e | 2b(d*); ((p - 1)/2) × 4e | 2c; ((p - 1)/2) × 4e | 2d(b*); ((p - 1)/2) × 4e | p × 4e |
p = prime > 2; u = 1, . . ., p - 1; | |||||||
-(1/2)(p - 1)≤ q ≤ (1/2)(p - 1) | |||||||
† cell choice 3 (P121/a1) | |||||||
* q = 2n + 1; does not apply to cell choice 2 (P121/n1) |
Space groups of the series of isomorphic subgroups appear in different sequences for cell choices 1, 2 and 3
P121/n1 | |||||||
UNIQUE AXIS b |
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CELL CHOICE 2 |
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Axes | Coordinates | Wyckoff positions | |||||
2a | 2b | 2c | 2d | 4e | |||
I Maximal translationengleiche subgroups | |||||||
[2] P1n1 | x, y + (1/4), z | 2a | 2a | 2a | 2a | 2 × 2a | |
[2] P1211 | x - (1/4), y, z - (1/4) | 2a | 2a | 2a | 2a | 2 × 2a | |
[2] P-1 | 1a; 1h | 1b; 1e | 1c; 1f | 1d; 1g | 2 × 2i | ||
II Maximal klassengleiche subgroups | |||||||
Enlarged unit cell, isomorphic | |||||||
[3] P121/n1 | a, 3b, c | x, (1/3)y, z; ±(0, (1/3), 0) | 2a; 4e | 2b; 4e | 2c; 4e | 2d; 4e | 3 × 4e |
[p] P121/n1 | a, pb, c | x, (1/p)y, z; +(0, (u/p), 0) | 2a; ((p - 1)/2) × 4e | 2b; ((p - 1)/2) × 4e | 2c; ((p - 1)/2) × 4e | 2d; ((p - 1)/2) × 4e | p × 4e |
p = prime > 2; u = 1, . . ., p - 1 | |||||||
[2] P121/n1 | a - c, b, 2c | x, y, (1/2)(x + z); +(0, 0, (1/2)) | 2a; 2b(d† ) | 4e | 2c; 2d(b† ) | 4e | 2 × 4e |
[2] P121/n1 | a - c, b, 2c | x + (1/4), y, (1/2)(x + z) + (1/4); +(0, 0, (1/2)) | 4e | 2a(c† ); 2b | 4e | 2c(a† ); 2d | 2 × 4e |
[2] P121/a1 | a - c, b, 2c | x, y, (1/2)(x + z); +(0, 0, (1/2)) | 2a; 2d(b† ) | 4e | 2b(d† ); 2c | 4e | 2 × 4e |
[2] P121/a1 | a - c, b, 2c | x, y, (1/2)(x + z) + (1/4); +(0, 0, (1/2)) | 4e | 2a; 2d | 4e | 2b; 2c | 2 × 4e |
[3] P121/n1 | a - 2c, b, 3c | x, y, (1/3)(2x + z); ±(0, 0, (1/3)) | 2a; 4e | 2b; 4e | 2c; 4e | 2d; 4e | 3 × 4e |
[3] P121/n1 | 3a, b, c | (1/3)x, y, z; ±((1/3), 0, 0) | 2a; 4e | 2b; 4e | 2c; 4e | 2d; 4e | 3 × 4e |
[3] P121/n1 | 2a + c, b, a + 2c | (1/3)(2x - z), y, (1/3)(-x + 2z); ±((1/3), 0, (1/3)) | 2a; 4e | 2d; 4e | 2c; 4e | 2b; 4e | 3 × 4e |
[3] P121/n1 | a, b, 3c | x, y, (1/3)z; ±(0, 0, (1/3)) | 2a; 4e | 2b; 4e | 2c; 4e | 2d; 4e | 3 × 4e |
[p] P121/n1 | a, b, pc | x, y, (1/p)z; +(0, 0, (u/p)) | 2a; ((p - 1)/2) × 4e | 2b; ((p - 1)/2) × 4e | 2c; ((p - 1)/2) × 4e | 2d; ((p - 1)/2) × 4e | p × 4e |
p = prime > 2; u = 1, . . ., p - 1 | |||||||
[p] P121/n1 | pa, b, 2qa + c | (1/p)(x - 2qz), y, z; +((u/p), 0, 0) | 2a; ((p - 1)/2) × 4e | 2b(d*); ((p - 1)/2) × 4e | 2c; ((p - 1)/2) × 4e | 2d(b*); ((p - 1)/2) × 4e | p × 4e |
p = prime > 2; u = 1, . . ., p - 1; | |||||||
-(1/2)(p - 1)≤ q ≤ (1/2)(p - 1) | |||||||
† cell choice 3 (P121/a1) | |||||||
* q = 2n + 1; does not apply to cell choice 2 (P121/n1) |
Space groups of the series of isomorphic subgroups appear in different sequences for cell choices 1, 2 and 3
P121/a1 | |||||||
UNIQUE AXIS b |
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CELL CHOICE 3 |
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Axes | Coordinates | Wyckoff positions | |||||
2a | 2b | 2c | 2d | 4e | |||
I Maximal translationengleiche subgroups | |||||||
P1a1 | x, y + (1/4), z | 2a | 2a | 2a | 2a | 2 × 2a | |
P1211 | x + (1/4), y, z | 2a | 2a | 2a | 2a | 2 × 2a | |
P-1 | 1a; 1e | 1f; 1g | 1c; 1d | 1b; 1h | 2 × 2i | ||
II Maximal klassengleiche subgroups | |||||||
Enlarged unit cell, isomorphic | |||||||
P121/a1 | a, 3b, c | x, (1/3)y, z; ±(0, (1/3), 0) | 2a; 4e | 2b; 4e | 2c; 4e | 2d; 4e | 3 × 4e |
P121/a1 | a, pb, c | x, (1/p)y, z; +(0, (u/p), 0) | 2a; ((p - 1)/2) × 4e | 2b; ((p - 1)/2) × 4e | 2c; ((p - 1)/2) × 4e | 2d; ((p - 1)/2) × 4e | p × 4e |
p = prime > 2; u = 1, . . ., p - 1 | |||||||
P121/a1 | a, b, 2c | x, y, (1/2)z; +(0, 0, (1/2)) | 2a; 2b(d† ) | 4e | 2c; 2d(b† ) | 4e | 2 × 4e |
P121/a1 | a, b, 2c | x, y, (1/2)z - (1/4); +(0, 0, (1/2)) | 4e | 2a(c† ); 2b | 4e | 2c(a† ); 2d | 2 × 4e |
P121/n1 | a, b, 2c | x, y, (1/2)z; +(0, 0, (1/2)) | 2a; 2d(b† ) | 4e | 2b(d† ); 2c | 4e | 2 × 4e |
P121/n1 | a, b, 2c | x - (1/4), y, (1/2)z - (1/4); +(0, 0, (1/2)) | 4e | 2a; 2d | 4e | 2b; 2c | 2 × 4e |
P121/a1 | a, b, 3c | x, y, (1/3)z; ±(0, 0, (1/3)) | 2a; 4e | 2b; 4e | 2c; 4e | 2d; 4e | 3 × 4e |
P121/a1 | 3a, b, -2a + c | (1/3)(x + 2z), y, z; ±((1/3), 0, 0) | 2a; 4e | 2b; 4e | 2c; 4e | 2d; 4e | 3 × 4e |
P121/a1 | 3a, b, -a + c | (1/3)(x + z), y, z; ±((1/3), 0, 0) | 2a; 4e | 2d; 4e | 2c; 4e | 2b; 4e | 3 × 4e |
P121/a1 | 3a, b, c | (1/3)x, y, z; ±((1/3), 0, 0) | 2a; 4e | 2b; 4e | 2c; 4e | 2d; 4e | 3 × 4e |
P121/a1 | a, b, pc | x, y, (1/p)z; +(0, 0, (u/p)) | 2a; ((p - 1)/2) × 4e | 2b; ((p - 1)/2) × 4e | 2c; ((p - 1)/2) × 4e | 2d; ((p - 1)/2) × 4e | p × 4e |
p = prime > 2; u = 1, . . ., p - 1; | |||||||
P121/a1 | pa, b, qa + c | (1/p)(x - qz), y, z; +((u/p), 0, 0) | 2a; ((p - 1)/2) × 4e | 2b(d*); ((p - 1)/2) × 4e | 2c; ((p - 1)/2) × 4e | 2d(b*); ((p - 1)/2) × 4e | p × 4e |
p = prime > 2; u = 1, . . ., p - 1; | |||||||
-(1/2)(p - 1)≤ q ≤ (1/2)(p - 1) | |||||||
† cell choice 3 (P121/a1) | |||||||
* q = 2n + 1; does not apply to cell choice 2 (P121/n1) |
Space groups of the series of isomorphic subgroups appear in different sequences for cell choices 1, 2 and 3
P1121/a | |||||||
UNIQUE AXIS c |
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CELL CHOICE 1 |
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Axes | Coordinates | Wyckoff positions | |||||
2a | 2b | 2c | 2d | 4e | |||
I Maximal translationengleiche subgroups | |||||||
[2] P11a (7) | x, y, z + (1/4) | 2a | 2a | 2a | 2a | 2 × 2a | |
[2] P1121 (4) | x + (1/4), y, z | 2a | 2a | 2a | 2a | 2 × 2a | |
[2] P-1 (2) | 1a; 1f | 1c; 1h | 1b; 1d | 1e; 1g | 2 × 2i | ||
II Maximal klassengleiche subgroups | |||||||
Enlarged unit cell, isomorphic | |||||||
[3] P1121/a | a, b, 3c | x, y, (1/3)z; ±(0, 0, (1/3)) | 2a; 4e | 2b; 4e | 2c; 4e | 2d; 4e | 3 × 4e |
[p] P1121/a | a, b, pc | x, y, (1/p)z; +(0, 0, (u/p)) | 2a; ((p - 1)/2) × 4e | 2b; ((p - 1)/2) × 4e | 2c; ((p - 1)/2) × 4e | 2d; ((p - 1)/2) × 4e | p × 4e |
p = prime > 2; u = 1, . . ., p - 1 | |||||||
[2] P1121/a | a, 2b, c | x, (1/2)y, z; +(0, (1/2), 0) | 2a; 2b(d† ) | 4e | 2c; 2d(b† ) | 4e | 2 × 4e |
[2] P1121/a | a, 2b, c | x, (1/2)y + (1/4), z; +(0, (1/2), 0) | 4e | 2a(c† ); 2b | 4e | 2c(a† ); 2d | 2 × 4e |
[2] P1121/n | a, 2b, c | x, (1/2)y, z; +(0, (1/2), 0) | 2a; 2d(b† ) | 4e | 2b(d† ); 2c | 4e | 2 × 4e |
[2] P1121/n | a, 2b, c | x, (1/2)y + (1/4), z; +(0, (1/2), 0) | 4e | 2a; 2d | 4e | 2b; 2c | 2 × 4e |
[3] P1121/a | a, 3b, c | x, (1/3)y, z; ±(0, (1/3), 0) | 2a; 4e | 2b; 4e | 2c; 4e | 2d; 4e | 3 × 4e |
[3] P1121/a | 3a, b, c | (1/3)x, y, z; ±((1/3), 0, 0) | 2a; 4e | 2b; 4e | 2c; 4e | 2d; 4e | 3 × 4e |
[3] P1121/a | 3a, -a + b, c | (1/3)(x + y), y, z; ±((1/3), 0, 0) | 2a; 4e | 2d; 4e | 2c; 4e | 2b; 4e | 3 × 4e |
[3] P1121/a | 3a, a + b, c | (1/3)(x - y), y, z; ±((1/3), 0, 0) | 2a; 4e | 2d; 4e | 2c; 4e | 2b; 4e | 3 × 4e |
or: | a - 2b, 3b, c | x, (1/3)(2x + y), z; ±(0, (1/3), 0) | 2a; 4e | 2b; 4e | 2c; 4e | 2d; 4e | 3 × 4e |
[p] P1121/a | a, pb, c | x, (1/p)y, z; +(0, (u/p), 0) | 2a; ((p - 1)/2) × 4e | 2b; ((p - 1)/2) × 4e | 2c; ((p - 1)/2) × 4e | 2d; ((p - 1)/2) × 4e | p × 4e |
p = prime > 2; u = 1, . . ., p - 1 | |||||||
[p] P1121/a | pa, qa + b, c | (1/p)(x - qy), y, z; +((u/p), 0, 0) | 2a; ((p - 1)/2) × 4e | 2b(d*); ((p - 1)/2) × 4e | 2c; ((p - 1)/2) × 4e | 2d(b*); ((p - 1)/2) × 4e | p × 4e |
p = prime > 2; u = 1, . . ., p - 1; | |||||||
-(1/2)(p - 1)≤ q ≤ (1/2)(p - 1) | |||||||
† cell choice 3 (P1121/b) | |||||||
* q = 2n + 1; does not apply to cell choice 2 (P1121/n) |
Space groups of the series of isomorphic subgroups appear in different sequences for cell choices 1, 2 and 3
P1121/n | |||||||
UNIQUE AXIS c |
|||||||
CELL CHOICE 2 |
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Axes | Coordinates | Wyckoff positions | |||||
2a | 2b | 2c | 2d | 4e | |||
I Maximal translationengleiche subgroups | |||||||
[2] P11n | x, y, z + (1/4) | 2a | 2a | 2a | 2a | 2 × 2a | |
[2] P1121 | x - (1/4), y - (1/4), z | 2a | 2a | 2a | 2a | 2 × 2a | |
[2] P-1 | 1a; 1h | 1d; 1g | 1b; 1e | 1c; 1f | 2 × 2i | ||
II Maximal klassengleiche subgroups | |||||||
Enlarged unit cell, isomorphic | |||||||
[3] P1121/n | a, b, 3c | x, y, (1/3)z; ±(0, 0, (1/3)) | 2a; 4e | 2b; 4e | 2c; 4e | 2d; 4e | 3 × 4e |
[p] P1121/n | a, b, pc | x, y, (1/p)z; +(0, 0, (u/p)) | 2a; ((p - 1)/2) × 4e | 2b; ((p - 1)/2) × 4e | 2c; ((p - 1)/2) × 4e | 2d; ((p - 1)/2) × 4e | p × 4e |
p = prime > 2; u = 1, . . ., p - 1 | |||||||
[2] P1121/n | 2a, -a + b, c | (1/2)(x + y), y, z; +((1/2), 0, 0) | 2a; 2b(d† ) | 4e | 2c; 2d(b† ) | 4e | 2 × 4e |
[2] P1121/n | 2a, -a + b, c | (1/2)(x + y) + (1/4), y + (1/4), z; +((1/2), 0, 0) | 4e | 2a(c† ); 2b | 4e | 2c(a† ); 2d | 2 × 4e |
[2] P1121/b | 2a, -a + b, c | (1/2)(x + y), y, z; +((1/2), 0, 0) | 2a; 2d(b† ) | 4e | 2b(d† ); 2c | 4e | 2 × 4e |
[2] P1121/b | 2a, -a + b, c | (1/2)(x + y) + (1/4), y, z; +((1/2), 0, 0) | 4e | 2a; 2d | 4e | 2b; 2c | 2 × 4e |
[3] P1121/n | 3a, -2a + b, c | (1/3)(x + 2y), y, z; ±((1/3), 0, 0) | 2a; 4e | 2b; 4e | 2c; 4e | 2d; 4e | 3 × 4e |
[3] P1121/n | a, 3b, c | x, (1/3)y, z; ±(0, (1/3), 0) | 2a; 4e | 2b; 4e | 2c; 4e | 2d; 4e | 3 × 4e |
[3] P1121/n | 2a + b, a + 2b, c | (1/3)(2x - y), (1/3)(-x + 2y), z; ±((1/3), (1/3), 0) | 2a; 4e | 2d; 4e | 2c; 4e | 2b; 4e | 3 × 4e |
[3] P1121/n | 3a, b, c | (1/3)x, y, z; ±((1/3), 0, 0) | 2a; 4e | 2b; 4e | 2c; 4e | 2d; 4e | 3 × 4e |
[p] P1121/n | pa, b, c | (1/p)x, y, z; +((u/p), 0, 0) | 2a; ((p - 1)/2) × 4e | 2b; ((p - 1)/2) × 4e | 2c; ((p - 1)/2) × 4e | 2d; ((p - 1)/2) × 4e | p × 4e |
p = prime > 2; u = 1, . . ., p - 1 | |||||||
[p] P1121/n | a + 2qb, pb, c | x, (1/p)(-2qx + y), z; +(0, (u/p), 0) | 2a; ((p - 1)/2) × 4e | 2b(d*); ((p - 1)/2) × 4e | 2c; ((p - 1)/2) × 4e | 2d(b*); ((p - 1)/2) × 4e | p × 4e |
p = prime > 2; u = 1, . . ., p - 1; | |||||||
-(1/2)(p - 1)≤ q ≤ (1/2)(p - 1) | |||||||
† cell choice 3 (P1121/b) | |||||||
* q = 2n + 1; does not apply to cell choice 2 (P1121/n) |
Space groups of the series of isomorphic subgroups appear in different sequences for cell choices 1, 2 and 3
P1121/b | |||||||
UNIQUE AXIS c |
|||||||
CELL CHOICE 3 |
|||||||
Axes | Coordinates | Wyckoff positions | |||||
2a | 2b | 2c | 2d | 4e | |||
I Maximal translationengleiche subgroups | |||||||
P11a | x, y, z + (1/4) | 2a | 2a | 2a | 2a | 2 × 2a | |
P1211 | x, y + (1/4), z | 2a | 2a | 2a | 2a | 2 × 2a | |
P-1 | 1a; 1g | 1e; 1f | 1b; 1c | 1d; 1h | 2 × 2i | ||
II Maximal klassengleiche subgroups | |||||||
Enlarged unit cell, isomorphic | |||||||
P1121/b | a, b, 3c | x, y, (1/3)z; ±(0, 0, (1/3)) | 2a; 4e | 2b; 4e | 2c; 4e | 2d; 4e | 3 × 4e |
P1121/b | a, b, pc | x, y, (1/p)z; +(0, 0, (u/p)) | 2a; ((p - 1)/2) × 4e | 2b; ((p - 1)/2) × 4e | 2c; ((p - 1)/2) × 4e | 2d; ((p - 1)/2) × 4e | p × 4e |
p = prime > 2; u = 1, . . ., p - 1 | |||||||
P1121/b | 2a, b, c | (1/2)x, y, z; +((1/2), 0, 0) | 2a; 2b(d† ) | 4e | 2c; 2d(b† ) | 4e | 2 × 4e |
P1121/b | 2a, b, c | (1/2)x - (1/4), y, z; +((1/2), 0, 0) | 4e | 2a(c† ); 2b | 4e | 2c(a† ); 2d | 2 × 4e |
P1121/n | 2a, b, c | (1/2)x, y, z; +((1/2), 0, 0) | 2a; 2d(b† ) | 4e | 2b(d† ); 2c | 4e | 2 × 4e |
P1121/n | 2a, b, c | (1/2)x - (1/4), y - (1/4), z; +((1/2), 0, 0) | 4e | 2a; 2d | 4e | 2b; 2c | 2 × 4e |
P1121/b | 3a, b, c | (1/3)x, y, z; ±((1/3), 0, 0) | 2a; 4e | 2b; 4e | 2c; 4e | 2d; 4e | 3 × 4e |
P1121/b | a - 2b, 3b, c | x, (1/3)(2x + y), z; ±(0, (1/3), 0) | 2a; 4e | 2b; 4e | 2c; 4e | 2d; 4e | 3 × 4e |
P1121/b | a - b, 3b, c | x, (1/3)(x + y), z; ±(0, (1/3), 0) | 2a; 4e | 2d; 4e | 2c; 4e | 2b; 4e | 3 × 4e |
P1121/b | a, 3b, c | x, (1/3)y, z; ±(0, (1/3), 0) | 2a; 4e | 2b; 4e | 2c; 4e | 2d; 4e | 3 × 4e |
P1121/b | pa, b, c | (1/p)x, y, z; +((u/p), 0, 0) | 2a; ((p - 1)/2) × 4e | 2b; ((p - 1)/2) × 4e | 2c; ((p - 1)/2) × 4e | 2d; ((p - 1)/2) × 4e | p × 4e |
p = prime > 2; u = 1, . . ., p - 1; | |||||||
P1121/b | a + qb, pb, c | x, (1/p)(-qx + y), z; +(0, (u/p), 0) | 2a; ((p - 1)/2) × 4e | 2b(d*); ((p - 1)/2) × 4e | 2c; ((p - 1)/2) × 4e | 2d(b*); ((p - 1)/2) × 4e | p × 4e |
p = prime > 2; u = 1, . . ., p - 1; | |||||||
-(1/2)(p - 1)≤ q ≤ (1/2)(p - 1) | |||||||
† cell choice 3 (P1121/b) | |||||||
* q = 2n + 1; does not apply to cell choice 2 (P1121/n) |
Space groups of the series of isomorphic subgroups appear in different sequences for cell choices 1, 2 and 3