Open AccessSome 60 new space‐group corrections
Author(s) -
Marsh Richard E.,
Kapon Moshe,
Hu Shengzhi,
Herbstein Frank H.
Publication year - 2002
Publication title -
acta crystallographica section b
Language(s) - English
Resource type - Journals
eISSN - 1600-5740
pISSN - 0108-7681
DOI - 10.1107/s0108768101017128
Subject(s) - symmetry (geometry) , scrutiny , group (periodic table) , space (punctuation) , space group , center (category theory) , set (abstract data type) , theoretical physics , order (exchange) , mathematics , physics , geometry , computer science , crystallography , law , political science , quantum mechanics , x ray crystallography , chemistry , diffraction , economics , finance , operating system , programming language
Some 60 examples of crystal structures are presented which can be better described in space groups of higher symmetry than used in the original publications. These are divided into three categories: (A) incorrect Laue group (33 examples), (B) omission of a center of symmetry (22 examples), (C) omission of a center of symmetry coupled with a failure to recognize systematic absences (nine examples). Category A errors do not lead to significant errors in molecular geometry, but these do accompany the two other types of error. There are 19 of the current set of examples which have publication dates of 1996 or later. Critical scrutiny on the part of authors, editors and referees is needed to eliminate such errors in order not to impair the role of crystal structure analysis as the chemical court of last resort.
Accelerating Research
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom
Address
John Eccles HouseRobert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom