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Information card for entry 9010291
Preview
| Coordinates | 9010291.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | AMCSD: 0004412, 0004413 |
| Mineral name | Carpathite/Karpalite? |
|---|---|
| Formula | C24 H12 |
| Calculated formula | C24 H12 |
| Title of publication | Crystal-chemical and carbon-isotopic characteristics of karpatite (C24H12) from the Picacho Peak Area, San Benito County, California: Evidences for the hydrothermal formation Locality: Picacho Peak Area, San Benito County, California, USA |
| Authors of publication | Echigo, T.; Kimata, M.; Maruoka, T. |
| Journal of publication | American Mineralogist |
| Year of publication | 2007 |
| Journal volume | 92 |
| Pages of publication | 1262 - 1269 |
| a | 16.094 Å |
| b | 4.69 Å |
| c | 10.049 Å |
| α | 90° |
| β | 110.79° |
| γ | 90° |
| Cell volume | 709.119 Å3 |
| Number of distinct elements | 2 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 293656 (current) | 2024-08-03 | Correcting the AMCSD database code data name in range 9: find -name '*.cif' | xargs -i sh -xc 'perl -i -pe "s/^_amcsd_database_code/_database_code_amcsd/" {}' cif/ (saulius@starta) |
9010291.cif |
| 291792 | 2024-05-09 | Inserting Z values into entries of 9 range, mostly missing. |
9010291.cif |
| 287548 | 2023-11-11 | cod/ (saulius@tasmanijos-velnias) Automatically adding AMCSD codes and alternative mineral names to 162 COD entries: 565 tail -n +3 outputs/amcsd-cod-exact-new-matches.tsv | awk '$NF !~ /,/ {print $3, $4}' | tr ',' ' ' | xargs -i bash -c 'ID1=$(awk "{print \$1}" <<< "{}"); ID2=$(awk "{print \$2}" <<< "{}"); CODID=$(awk "{print \$3}" <<< "{}"); source functions.sh; echo -e "_amcsd_database_code $ID1"; M1=$(cifvalues --no-dataname --tag _chemical_name_mineral $(amcsd2file $ID1)); M2=$(cifvalues --no-dataname --tag _chemical_name_mineral $(amcsd2file $ID2)); set -x; (if grep -q _cod_related_entry $(codid2file $CODID); then N=$(tail -n 1 $(codid2file $CODID) | awk "{print \$1}"); else N=0; echo -e "loop_\n_cod_related_entry_id\n_cod_related_entry_database\n_cod_related_entry_code"; fi; echo -e "$(expr $N + 1) AMCSD $ID1\n$(expr $N + 2) AMCSD $ID2"; echo -e "loop_\n_[local]_alternative_name_id\n_[local]_alternative_name_type\n_[local]_alternative_name_source\n_[local]_alternative_name_source_id\n_[local]_alternative_name_value\n1 mineral AMCSD $ID1 \"$M1\"\n2 mineral AMCSD $ID2 \"$M2\""; echo "_amcsd_database_code $ID1") | tee -a $(codid2file $CODID)'; The command was performed in the working copy: Working Copy Root Path: /home/saulius/struct/COD-crude-data URL: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data/archives/2021/correspondence-AMCSD-COD Relative URL: ^/archives/2021/correspondence-AMCSD-COD Repository Root: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data Repository UUID: f03e6fd5-de02-4a89-aa47-d94ad8425ebd Revision: 7437 Node Kind: directory Schedule: normal Last Changed Author: saulius Last Changed Rev: 7436 Last Changed Date: 2023-11-11 09:56:27 +0200 (Sat, 11 Nov 2023) |
9010291.cif |
| 176465 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 9. |
9010291.cif |
| 120115 | 2014-07-12 | Adding DOIs to range 9 structures. | 9010291.cif |
| 77586 | 2013-03-28 | cod/cif/ (saulius@koala.ibt.lt) Merging mineral data updates (_chemical_name_mineral, _chemical_name_common, structural formulae) sent to me by T.D. in his e-mail. The merge was done by the command: for i in split/*.cif do ( B=$(basename $i); C=$(echo $B|awk '{print "/home/saulius/struct/cod/cif/"substr($0,1,1)"/"substr($0,2,2)"/"substr($0,4,2)"/"$0}'); ( set -x; cif_merge --over \ _chemical_name_mineral,_chemical_name_structure_type,_chemical_name_common,_chemical_name_systematic,_chemical_formula_structural,_chemical_formula_sum \ $C $i ) \ | cif_filter --add-cif-header $C \ | sponge $C ) done in the working copy of the following repository: URL: svn+ssh://pitonas.ibt.lt/home/xray/svn-repositories/xyz-extraction/contributions Repository Root: svn+ssh://pitonas.ibt.lt/home/xray/svn-repositories/xyz-extraction Repository UUID: 9acf3947-1f02-0410-ae2a-984b57ad209b Revision: 2625 Node Kind: directory Schedule: normal Last Changed Author: saulius Last Changed Rev: 2625 Last Changed Date: 2013-03-28 15:13:00 +0200 (Thu, 28 Mar 2013) |
9010291.cif |
| 35913 | 2012-02-28 | cif/9/ Reorganising range 9 into a prefix-directory tree. Range 9 is the last range to be reorganised. |
9010291.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
9010291.cif |
| 903 | 2009-11-23 | cif/ Setting svn:keywords property on those CIFs that did not have them. |
9010291.cif |
| 858 | 2009-11-18 | cod/cif/ Changing all _chemical_formula_sum values, were necessary, to conform IUCr recommended syntax and sorting order. After this operation, it will be easier to search for structures using the _chemical_formula_sum values. Only those files and thos lines that really needed to be changed were changed; otehrwise the CIFs were not reformatted. The procedure was as follows: first, all files were passed through a 'cif_filter --parse-formula-sum' command, and the lines containing _cif_formula_sum matching tags were extracted. The extracted tags were "spliced" into the CIF files using the ./bin/{un,}grepciftag commands and awk to filter out old tags and add new tags in their place; the replacement was only done if the new tags contained "_cod_" tags ('grep -q _cod_ tmp-$$'), indicating that cif_filter has altered the formula, or the original file did not contain the _chemical_formula_sum tag ('! grep -q _chemical_formula_sum X'), indicating that cif_filter has guessed the chemical_formula_sum from the file (which should not have happened, actually). If the file was different, disregarding spaces, from the original one ('if ! diff -wb X tmp2-$$'), the original was replaced by the new file, to be committed to the repository. The full command for this step was: ( \ set -x; \ find ? -name \*.cif \ | xargs -n1 -iX \ sh -c 'cif_filter --parse-formula-sum X \ | ./bin/grepciftag _chemical_formula_sum > tmp-$$; \ if grep -q _cod_ tmp-$$ || ! grep -q _chemical_formula_sum X; \ then \ awk "/^#/,/_chemical_formula_sum/{print} /_chemical_formula_sum/{exit}" X \ | ./bin/ungrepciftag _chemical_formula_sum > tmp2-$$; \ cat tmp-$$ >> tmp2-$$; \ awk "/_chemical_formula_sum/,/\$eof/" X \ | ./bin/ungrepciftag _chemical_formula_sum >> tmp2-$$; \ if ! diff -wb X tmp2-$$; \ then \ mv -fv tmp2-$$ X; \ fi; \ fi; \ rm -f tmp-$$ tmp2-$$' \ ) >& sort-chemical-formulae-2009.11.16.log Next, the files were searched that differ from their originals only by the order of CIF tags: svn st \ | awk '/^M/{print $NF}' \ | sort | xargs -n1 -iX \ bash -c 'if diff -q <(svn cat X|sort) <(sort X) >& /dev/null; \ then echo X; \ fi' \ >& only-reordered.lst These files, after manual inspection ('cat only-reordered.lst | xargs svn diff | less'), were reverted to the originals: cat only-reordered.lst | xargs svn revert Finally, a syntax check was performed using 'vcif': svn st | awk '/^M/{print $NF}' \ | sort | xargs -n1 -iX \ sh -c 'echo -n X"\r"; vcif -l 2048 X || { echo == X == ; echo X >&2; }' \ 2> vcif-check-2009.11.18.err A check on the whole COD archive showed the same files as recorded in vcif-check-2009.11.18.err: find ? -name \*.cif \ | sort \ | xargs -n1 -iX \ sh -c 'echo -n X"\r"; \ vcif -l 2048 X || { echo == X == ; echo X >&2; }' \ 2> vcif-all-check-`-date`.err diff vcif-check-2009.11.18.err vcif-all-check-2009.11.18.err Since no differences were detected in between vcif-check-2009.11.18.err and vcif-all-check-2009.11.18.err, the latter was deleted and is not committed. The check reveled two broken files, 2/2000267.cif and 2/2001000.cif; these were corrected manually. Afther this, one more 'vcif' check showed no syntax errors, and the changes are committed into the COD repository. 19798 files have modifications in this commit, according to svn st | grep '^M' | wc -l |
9010291.cif |
| 649 | 2009-04-18 | Depositing new CIFs from AMCSD-resynchronisation-2009.03.27/. |
9010291.cif |
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