computer programs
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.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S0021889803027146/dd5003sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S0021889803027146/dd5003sup2.hkl | |
Zip compressed file https://doi.org/10.1107/S0021889803027146/dd5003sup3.zip | |
Zip compressed file https://doi.org/10.1107/S0021889803027146/dd5003sup4.zip | |
Portable Document Format (PDF) file https://doi.org/10.1107/S0021889803027146/dd5003sup5.pdf | |
Portable Document Format (PDF) file https://doi.org/10.1107/S0021889803027146/dd5003sup6.pdf |