(1) 1 | (2) 2(0, 0, 1/2) 1/4, 0, z | (3) 2(0, 1/2, 0) 0, y, 1/4 | (4) 2(1/2, 0, 0) x, 1/4, 0 |
(5) 3+ x, x, x | (6) 3+ -x + 1/2, x, -x | (7) 3+ x + 1/2, -x - 1/2, -x | (8) 3+ -x, -x + 1/2, x |
(9) 3- x, x, x | (10) 3-(-1/3, 1/3, 1/3) x + 1/6, -x + 1/6, -x | (11) 3-(1/3, 1/3, -1/3) -x + 1/3, -x + 1/6, x | (12) 3-(1/3, -1/3, 1/3) -x - 1/6, x + 1/3, -x |
(13) 2(1/2, 1/2, 0) x, x - 1/4, 1/8 | (14) 2 x, -x + 3/4, 3/8 | (15) 4-(0, 0, 3/4) 1/4, 0, z | (16) 4+(0, 0, 1/4) -1/4, 1/2, z |
(17) 4-(3/4, 0, 0) x, 1/4, 0 | (18) 2(0, 1/2, 1/2) 1/8, y + 1/4, y | (19) 2 3/8, y + 3/4, -y | (20) 4+(1/4, 0, 0) x, -1/4, 1/2 |
(21) 4+(0, 1/4, 0) 1/2, y, -1/4 | (22) 2(1/2, 0, 1/2) x - 1/4, 1/8, x | (23) 4-(0, 3/4, 0) 0, y, 1/4 | (24) 2 -x + 3/4, 3/8, x |
(25) -1 0, 0, 0 | (26) a x, y, 1/4 | (27) c x, 1/4, z | (28) b 1/4, y, z |
(29) -3+ x, x, x; 0, 0, 0 | (30) -3+ -x - 1/2, x + 1, -x; 0, 1/2, 1/2 | (31) -3+ x + 1/2, -x + 1/2, -x; 1/2, 1/2, 0 | (32) -3+ -x + 1, -x + 1/2, x; 1/2, 0, 1/2 |
(33) -3- x, x, x; 0, 0, 0 | (34) -3- x + 1/2, -x - 1/2, -x; 0, 0, 1/2 | (35) -3- -x, -x + 1/2, x; 0, 1/2, 0 | (36) -3- -x + 1/2, x, -x; 1/2, 0, 0 |
(37) d(-1/4, 1/4, 3/4) x + 1/2, -x, z | (38) d(1/4, 1/4, 1/4) x, x, z | (39) -4- 0, 3/4, z; 0, 3/4, 1/8 | (40) -4+ 1/2, -1/4, z; 1/2, -1/4, 3/8 |
(41) -4- x, 0, 3/4; 1/8, 0, 3/4 | (42) d(3/4, -1/4, 1/4) x, y + 1/2, -y | (43) d(1/4, 1/4, 1/4) x, y, y | (44) -4+ x, 1/2, -1/4; 3/8, 1/2, -1/4 |
(45) -4+ -1/4, y, 1/2; -1/4, 3/8, 1/2 | (46) d(1/4, 3/4, -1/4) -x + 1/2, y, x | (47) -4- 3/4, y, 0; 3/4, 1/8, 0 | (48) d(1/4, 1/4, 1/4) x, y, x |
(1) t(1/2, 1/2, 1/2) | (2) 2 0, 1/4, z | (3) 2 1/4, y, 0 | (4) 2 x, 0, 1/4 |
(5) 3+(1/2, 1/2, 1/2) x, x, x | (6) 3+(1/6, -1/6, 1/6) -x - 1/6, x + 1/3, -x | (7) 3+(-1/6, 1/6, 1/6) x + 1/6, -x + 1/6, -x | (8) 3+(1/6, 1/6, -1/6) -x + 1/3, -x + 1/6, x |
(9) 3-(1/2, 1/2, 1/2) x, x, x | (10) 3-(1/6, -1/6, -1/6) x + 1/6, -x + 1/6, -x | (11) 3-(-1/6, -1/6, 1/6) -x + 1/3, -x + 1/6, x | (12) 3-(-1/6, 1/6, -1/6) -x - 1/6, x + 1/3, -x |
(13) 2(1/2, 1/2, 0) x, x + 1/4, 3/8 | (14) 2 x, -x + 1/4, 1/8 | (15) 4-(0, 0, 1/4) 3/4, 0, z | (16) 4+(0, 0, 3/4) 1/4, 1/2, z |
(17) 4-(1/4, 0, 0) x, 3/4, 0 | (18) 2(0, 1/2, 1/2) 3/8, y - 1/4, y | (19) 2 1/8, y + 1/4, -y | (20) 4+(3/4, 0, 0) x, 1/4, 1/2 |
(21) 4+(0, 3/4, 0) 1/2, y, 1/4 | (22) 2(1/2, 0, 1/2) x + 1/4, 3/8, x | (23) 4-(0, 1/4, 0) 0, y, 3/4 | (24) 2 -x + 1/4, 1/8, x |
(25) -1 1/4, 1/4, 1/4 | (26) b x, y, 0 | (27) a x, 0, z | (28) c 0, y, z |
(29) -3+ x, x, x; 1/4, 1/4, 1/4 | (30) -3+ -x - 1/2, x, -x; -1/4, -1/4, 1/4 | (31) -3+ x - 1/2, -x + 1/2, -x; -1/4, 1/4, -1/4 | (32) -3+ -x, -x - 1/2, x; 1/4, -1/4, -1/4 |
(33) -3- x, x, x; 1/4, 1/4, 1/4 | (34) -3- x + 1/2, -x - 1/2, -x; 1/4, -1/4, 1/4 | (35) -3- -x, -x + 1/2, x; -1/4, 1/4, 1/4 | (36) -3- -x + 1/2, x, -x; 1/4, 1/4, -1/4 |
(37) d(1/4, -1/4, 1/4) x + 1/2, -x, z | (38) d(3/4, 3/4, 3/4) x, x, z | (39) -4- 0, 1/4, z; 0, 1/4, 3/8 | (40) -4+ 1/2, 1/4, z; 1/2, 1/4, 1/8 |
(41) -4- x, 0, 1/4; 3/8, 0, 1/4 | (42) d(1/4, 1/4, -1/4) x, y + 1/2, -y | (43) d(3/4, 3/4, 3/4) x, y, y | (44) -4+ x, 1/2, 1/4; 1/8, 1/2, 1/4 |
(45) -4+ 1/4, y, 1/2; 1/4, 1/8, 1/2 | (46) d(-1/4, 1/4, 1/4) -x + 1/2, y, x | (47) -4- 1/4, y, 0; 1/4, 3/8, 0 | (48) d(3/4, 3/4, 3/4) x, y, x |
Multiplicity, Wyckoff letter, Site symmetry | Coordinates | Reflection conditions |
| (0, 0, 0)+ (1/2, 1/2, 1/2)+ | h, k, l permutable General:
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| (1) x, y, z | (2) -x + 1/2, -y, z + 1/2 | (3) -x, y + 1/2, -z + 1/2 | (4) x + 1/2, -y + 1/2, -z | (5) z, x, y | (6) z + 1/2, -x + 1/2, -y | (7) -z + 1/2, -x, y + 1/2 | (8) -z, x + 1/2, -y + 1/2 | (9) y, z, x | (10) -y, z + 1/2, -x + 1/2 | (11) y + 1/2, -z + 1/2, -x | (12) -y + 1/2, -z, x + 1/2 | (13) y + 3/4, x + 1/4, -z + 1/4 | (14) -y + 3/4, -x + 3/4, -z + 3/4 | (15) y + 1/4, -x + 1/4, z + 3/4 | (16) -y + 1/4, x + 3/4, z + 1/4 | (17) x + 3/4, z + 1/4, -y + 1/4 | (18) -x + 1/4, z + 3/4, y + 1/4 | (19) -x + 3/4, -z + 3/4, -y + 3/4 | (20) x + 1/4, -z + 1/4, y + 3/4 | (21) z + 3/4, y + 1/4, -x + 1/4 | (22) z + 1/4, -y + 1/4, x + 3/4 | (23) -z + 1/4, y + 3/4, x + 1/4 | (24) -z + 3/4, -y + 3/4, -x + 3/4 | (25) -x, -y, -z | (26) x + 1/2, y, -z + 1/2 | (27) x, -y + 1/2, z + 1/2 | (28) -x + 1/2, y + 1/2, z | (29) -z, -x, -y | (30) -z + 1/2, x + 1/2, y | (31) z + 1/2, x, -y + 1/2 | (32) z, -x + 1/2, y + 1/2 | (33) -y, -z, -x | (34) y, -z + 1/2, x + 1/2 | (35) -y + 1/2, z + 1/2, x | (36) y + 1/2, z, -x + 1/2 | (37) -y + 1/4, -x + 3/4, z + 3/4 | (38) y + 1/4, x + 1/4, z + 1/4 | (39) -y + 3/4, x + 3/4, -z + 1/4 | (40) y + 3/4, -x + 1/4, -z + 3/4 | (41) -x + 1/4, -z + 3/4, y + 3/4 | (42) x + 3/4, -z + 1/4, -y + 3/4 | (43) x + 1/4, z + 1/4, y + 1/4 | (44) -x + 3/4, z + 3/4, -y + 1/4 | (45) -z + 1/4, -y + 3/4, x + 3/4 | (46) -z + 3/4, y + 3/4, -x + 1/4 | (47) z + 3/4, -y + 1/4, -x + 3/4 | (48) z + 1/4, y + 1/4, x + 1/4 |
| hkl : h + k + l = 2n 0kl : k, l = 2n hhl : 2h + l = 4n h00 : h = 4n
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| | Special: as above, plus
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| 1/8, y, -y + 1/4 | 3/8, -y, -y + 3/4 | 7/8, y + 1/2, y + 1/4 | 5/8, -y + 1/2, y + 3/4 | -y + 1/4, 1/8, y | -y + 3/4, 3/8, -y | y + 1/4, 7/8, y + 1/2 | y + 3/4, 5/8, -y + 1/2 | y, -y + 1/4, 1/8 | -y, -y + 3/4, 3/8 | y + 1/2, y + 1/4, 7/8 | -y + 1/2, y + 3/4, 5/8 | 7/8, -y, y + 3/4 | 5/8, y, y + 1/4 | 1/8, -y + 1/2, -y + 3/4 | 3/8, y + 1/2, -y + 1/4 | y + 3/4, 7/8, -y | y + 1/4, 5/8, y | -y + 3/4, 1/8, -y + 1/2 | -y + 1/4, 3/8, y + 1/2 | -y, y + 3/4, 7/8 | y, y + 1/4, 5/8 | -y + 1/2, -y + 3/4, 1/8 | y + 1/2, -y + 1/4, 3/8 |
| hkl : h = 2n + 1 or h = 4n
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| x, 0, 1/4 | -x + 1/2, 0, 3/4 | 1/4, x, 0 | 3/4, -x + 1/2, 0 | 0, 1/4, x | 0, 3/4, -x + 1/2 | 3/4, x + 1/4, 0 | 3/4, -x + 3/4, 1/2 | x + 3/4, 1/2, 1/4 | -x + 1/4, 0, 1/4 | 0, 1/4, -x + 1/4 | 1/2, 1/4, x + 3/4 | -x, 0, 3/4 | x + 1/2, 0, 1/4 | 3/4, -x, 0 | 1/4, x + 1/2, 0 | 0, 3/4, -x | 0, 1/4, x + 1/2 | 1/4, -x + 3/4, 0 | 1/4, x + 1/4, 1/2 | -x + 1/4, 1/2, 3/4 | x + 3/4, 0, 3/4 | 0, 3/4, x + 3/4 | 1/2, 3/4, -x + 1/4 |
| hkl : 2h + l = 4n
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| x, x, x | -x + 1/2, -x, x + 1/2 | -x, x + 1/2, -x + 1/2 | x + 1/2, -x + 1/2, -x | x + 3/4, x + 1/4, -x + 1/4 | -x + 3/4, -x + 3/4, -x + 3/4 | x + 1/4, -x + 1/4, x + 3/4 | -x + 1/4, x + 3/4, x + 1/4 | -x, -x, -x | x + 1/2, x, -x + 1/2 | x, -x + 1/2, x + 1/2 | -x + 1/2, x + 1/2, x | -x + 1/4, -x + 3/4, x + 3/4 | x + 1/4, x + 1/4, x + 1/4 | -x + 3/4, x + 3/4, -x + 1/4 | x + 3/4, -x + 1/4, -x + 3/4 |
| hkl : h = 2n + 1 or h + k + l = 4n
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| 3/8, 0, 1/4 | 1/8, 0, 3/4 | 1/4, 3/8, 0 | 3/4, 1/8, 0 | 0, 1/4, 3/8 | 0, 3/4, 1/8 | 3/4, 5/8, 0 | 3/4, 3/8, 1/2 | 1/8, 1/2, 1/4 | 7/8, 0, 1/4 | 0, 1/4, 7/8 | 1/2, 1/4, 1/8 |
| hkl : h, k = 2n, h + k + l = 4n or h, k = 2n + 1, l = 4n + 2 or h = 8n, k = 8n + 4 and h + k + l = 4n + 2 |
| 1/8, 0, 1/4 | 3/8, 0, 3/4 | 1/4, 1/8, 0 | 3/4, 3/8, 0 | 0, 1/4, 1/8 | 0, 3/4, 3/8 | 7/8, 0, 3/4 | 5/8, 0, 1/4 | 3/4, 7/8, 0 | 1/4, 5/8, 0 | 0, 3/4, 7/8 | 0, 1/4, 5/8 |
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| 1/8, 1/8, 1/8 | 3/8, 7/8, 5/8 | 7/8, 5/8, 3/8 | 5/8, 3/8, 7/8 | 7/8, 7/8, 7/8 | 5/8, 1/8, 3/8 | 1/8, 3/8, 5/8 | 3/8, 5/8, 1/8 |
| hkl : h, k = 2n + 1, l = 4n + 2 or h, k, l = 4n
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| 0, 0, 0 | 1/2, 0, 1/2 | 0, 1/2, 1/2 | 1/2, 1/2, 0 | 3/4, 1/4, 1/4 | 3/4, 3/4, 3/4 | 1/4, 1/4, 3/4 | 1/4, 3/4, 1/4 |
| hkl : h, k = 2n, h + k + l = 4n
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