Solving crystal structures inP1: an automated procedure for finding an allowed origin in the correct space group
2000 ◽
Vol 33
(2)
◽
pp. 307-311
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Keyword(s):
Crystal structure solution inP1 may be particularly suitable for complex crystal structures crystallizing in other space groups. However, additional efforts and human intervention are often necessary to locate correctly the structural model so obtained with respect to an allowed origin of the actual space group. An automatic procedure is described which is able to perform such a task, allowing the routine passage to the correct space group and the subsequent structure refinement. Some tests are presented proving the effectiveness of the procedure.
1995 ◽
Vol 50
(8)
◽
pp. 1215-1221
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1994 ◽
Vol 49
(5)
◽
pp. 593-601
◽
2011 ◽
Vol 75
(4)
◽
pp. 2495-2518
◽
2017 ◽
Vol 50
(5)
◽
pp. 1421-1427
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Symmetry Relations Between Space Groups in Layered Germanate Structures: Modeling Crystal Structures
2014 ◽
Vol 70
(a1)
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pp. C1763-C1763
Keyword(s):
X Rays
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1989 ◽
Vol 44
(10)
◽
pp. 1187-1194
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Keyword(s):
2020 ◽
Vol 76
(8)
◽
pp. 1229-1233
Keyword(s):
2005 ◽
Vol 61
(4)
◽
pp. 407-417
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