TWINLAW and HKLF5: two programs for the handling of non-merohedral twins

Bolte, M.

doi:10.1107/S0021889803027146

TWINLAW and HKLF5: two programs for the handling of non-merohedral twins

The program TWINLAW reads two orientation matrices obtained from a non-merohedrally twinned crystal and evaluates the twin law. In a second step, the program HKLF5 uses this twin law to generate a reflection file for refinement with the HKLF5 option of the SHELXL program. The use of both programs is demonstrated by means of the structure determination of Sr(H₂PO₄)₂·H₂O.

Keywords: non-merohedral twinning; twin law; SHELXL; computer programs.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S0021889803027146/dd5003sup1.cif Contains datablocks final, global
	Structure factor file (CIF format) https://doi.org/10.1107/S0021889803027146/dd5003sup2.hkl Contains datablock final
	Zip compressed file https://doi.org/10.1107/S0021889803027146/dd5003sup3.zip Programs for DOS and example files
	Zip compressed file https://doi.org/10.1107/S0021889803027146/dd5003sup4.zip Programs for Linux and example files
	Portable Document Format (PDF) file https://doi.org/10.1107/S0021889803027146/dd5003sup5.pdf Manual for TWINLAW
	Portable Document Format (PDF) file https://doi.org/10.1107/S0021889803027146/dd5003sup6.pdf Manual for HKLF5

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Format		BIBTeX
		EndNote
		RefMan
		Refer
		Medline
		CIF
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Format		BIBTeX
		EndNote
		RefMan
		Refer
		Medline
		CIF
		SGML
		Text
		Plain Text

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