## Structure Determination by X-ray CrystallographyI was highly flattered when I was asked by Mark Ladd and Rex Palmer if I would write the Foreword to this Fourth Edition of their book. "Ladd & Palmer" is such a well-known and classic book on the subject of crystal structure determination, one of the standards in the field: I did feel daunted by the prospect, and wondered if I could do justice to it. The determination of crystal structures by X-ray crystallography has come a long way since the 1912 discoveries of von Laue and the Braggs. In the intervening years great advances have been made, so that today it is almost taken for granted that crystal structures can be determined in which hundreds, if not thousands, of sepa rate atomic positions can be found with apparent ease. In the early years the struc tures of relatively simple materials, such as the alkali halides, were often argued over and even disputed, whereas today we routinely see published structures of most complex molecular crystals, including the structures of viruses and proteins. |

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### Contents

III | 1 |

IV | 4 |

V | 17 |

VI | 23 |

VII | 44 |

IX | 51 |

X | 62 |

XI | 64 |

LXIX | 501 |

LXX | 504 |

LXXI | 505 |

LXXII | 511 |

LXXIII | 515 |

LXXIV | 516 |

LXXV | 519 |

LXXVIII | 537 |

XII | 66 |

XIII | 72 |

XIV | 73 |

XV | 103 |

XVI | 108 |

XVII | 111 |

XIX | 117 |

XX | 127 |

XXI | 138 |

XXII | 144 |

XXIII | 153 |

XXIV | 160 |

XXV | 162 |

XXVI | 173 |

XXVII | 178 |

XXVIII | 191 |

XXIX | 206 |

XXXI | 213 |

XXXII | 214 |

XXXIII | 215 |

XXXIV | 223 |

XXXV | 257 |

XXXVI | 260 |

XXXVII | 261 |

XXXVIII | 264 |

XXXIX | 269 |

XL | 277 |

XLI | 279 |

XLII | 280 |

XLIII | 282 |

XLIV | 283 |

XLV | 289 |

XLVII | 291 |

XLVIII | 297 |

XLIX | 301 |

L | 302 |

LI | 305 |

LII | 320 |

LIV | 325 |

LV | 330 |

LVI | 331 |

LVII | 335 |

LVIII | 342 |

LIX | 345 |

LX | 392 |

LXI | 405 |

LXII | 409 |

LXIII | 410 |

LXIV | 421 |

LXV | 461 |

LXVI | 486 |

LXVII | 494 |

LXVIII | 500 |

LXXIX | 548 |

LXXX | 554 |

LXXXI | 561 |

LXXXIII | 562 |

LXXXIV | 567 |

LXXXV | 570 |

LXXXVI | 571 |

LXXXVII | 578 |

LXXXVIII | 587 |

LXXXIX | 589 |

XC | 591 |

XCI | 610 |

XCIII | 612 |

XCV | 615 |

XCVI | 618 |

XCVII | 626 |

XCVIII | 629 |

XCIX | 644 |

C | 646 |

CI | 663 |

CIII | 666 |

CIV | 673 |

CV | 675 |

CVI | 681 |

CVII | 682 |

CVIII | 684 |

CIX | 686 |

CX | 696 |

CXI | 701 |

CXII | 706 |

CXIII | 707 |

CXIV | 715 |

CXV | 717 |

CXVI | 719 |

CXVII | 720 |

CXVIII | 723 |

CXIX | 725 |

CXXI | 728 |

CXXII | 729 |

CXXIII | 730 |

CXXIV | 741 |

CXXV | 743 |

CXXVI | 753 |

CXXVII | 758 |

CXXVIII | 761 |

CXXIX | 767 |

CXXX | 779 |

CXXXI | 782 |

CXXXII | 786 |

CXXXIII | 791 |

797 | |

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### Common terms and phrases

Acta Crystallographica amplitude asymmetric unit atomic positions atoms axes axis FIGURE bond lengths Bragg Bragg equation calculated center of symmetry centrosymmetric consider correct corresponding crystal structure data set derived diagram diffraction pattern diffractometer direct methods electron density electron density map equation equivalent positions example F(hkl film given heavy atoms heavy-atom Hence indices integral intensity Laue limiting conditions measured molecular monoclinic neutron normal obtained optical orientation origin orthorhombic parallel parameters PATSEE Patterson function peaks perpendicular phase plane group point groups powder procedure projection protein crystal radiation reciprocal lattice reciprocal lattice points reflections Rietveld refinement rotation scattering screw axis search model Section shown in Figure shows solution space group stereogram structure analysis structure determination structure factor symbol symmetry elements synchrotron Table technique temperature factor tetragonal three-dimensional torsion angles translation triclinic unit cell values vector wavelength x-ray beam x-ray crystallography x-ray diffraction zero

### References to this book

Einführung in die Kristallographie Will Kleber,Hans-Joachim Bautsch,Joachim Bohm No preview available - 1998 |

Solid State Chemistry: An Introduction, Third Edition Lesley E. Smart,Elaine A. Moore No preview available - 2005 |