Practical hints and tips for solution of pseudo-merohedric twins: three case studies

Parkin, S.R.

doi:10.1107/S205698902100342X

Practical hints and tips for solution of pseudo-merohedric twins: three case studies

Structure solution for pseudo-merohedric twins having roughly equal individual volume fractions are described in detail via worked examples of varying complexity.

Keywords: pseudo-merohedry; pseudo-orthorhombic; pseudo-tetragonal; pseudo-hexagonal; reticular; twinning; HKLF 5 format.

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Supporting information

	Structure factor file (CIF format) https://doi.org/10.1107/S205698902100342X/hb7973sup1.hkl Diffraction data for XUBNIR in SHELX HKLF 4 format
	Text file https://doi.org/10.1107/S205698902100342X/hb7973sup2.ins.txt Input file for structure solution of XUBNIR by SHELXD
	Structure factor file (CIF format) https://doi.org/10.1107/S205698902100342X/hb7973sup3.hkl Diffraction data for WUGLES in SHELX HKLF 4 format
	Text file https://doi.org/10.1107/S205698902100342X/hb7973sup4.ins.txt Input file for P21 supercell structure solution of WUGLES by SHELXD
	Structure factor file (CIF format) https://doi.org/10.1107/S205698902100342X/hb7973sup5.hkl Diffraction data for SAXDUR indexed as triclinic-P, HKLF 4 format
	Structure factor file (CIF format) https://doi.org/10.1107/S205698902100342X/hb7973sup6.hkl Diffraction data for SAXDUR indexed as monoclinic-I, HKLF 4 format
	Text file https://doi.org/10.1107/S205698902100342X/hb7973sup7.ins.txt Input file for I2/a supercell solution of WUGLES by SHELXD
	Structure factor file (CIF format) https://doi.org/10.1107/S205698902100342X/hb7973sup8.hkl Diffraction data for SAXDUR indexed as monoclinic-P, HKLF 5 format
	Text file https://doi.org/10.1107/S205698902100342X/hb7973sup9.txt Steps for generation of an HKLF 5 format datafile from an HKLF 4 format datafile for structure SAXDUR (pinacol monohydrate), in plain ASCII text suitable for copy/paste

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Format		BIBTeX
		EndNote
		RefMan
		Refer
		Medline
		CIF
		SGML
		Text
		Plain Text

Format		BIBTeX
		EndNote
		RefMan
		Refer
		Medline
		CIF
		SGML
		Text
		Plain Text

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