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Information card for entry 9013659
Preview
Coordinates | 9013659.cif |
---|---|
Original paper (by DOI) | HTML |
External links | AMCSD |
Formula | Mg O3 Si |
---|---|
Calculated formula | Mg O3 Si |
Title of publication | Phase behavior of protoenstatite at high pressure studied by atomistic simulations Locality: theoretical structure Note: modelled high-pressure phase at P = 0 GPa |
Authors of publication | Jahn, S.; Martonak, R. |
Journal of publication | American Mineralogist |
Year of publication | 2009 |
Journal volume | 94 |
Pages of publication | 950 - 956 |
a | 9.177 Å |
b | 8.816 Å |
c | 4.812 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 389.312 Å3 |
Ambient diffracton pressure | 0 kPa |
Number of distinct elements | 3 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
291877 (current) | 2024-05-16 | Inserting missing Z values in most entries in the 9 range |
9013659.cif |
282068 | 2023-03-26 | cod/ (saulius@tasmanijos-velnias) Adding the '_cod_related_entry_...' loop to those COD AMCSD entries that lacked it, and adding the related AMCSD database ID to this loop. |
9013659.cif |
282053 | 2023-03-24 | cod/ (saulius@tasmanijos-velnias) Updating the existing COD records from the recent AMCSD downloads: - Adding AMCSD IDs to those COD records that exacly matched the AMCSD structures (comparing unit cells, space groups, coordinates and measurement conditions) but did not yet have the AMCSD ID; - Adding new mineral names, compound sources, measurement conditions (when those were missing) and other informations from the AMCSD CIFs. |
9013659.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. |
9013659.cif |
120115 | 2014-07-12 | Adding DOIs to range 9 structures. | 9013659.cif |
85285 | 2013-05-05 | cod/ (saulius@koala.ibt.lt) Removing outdated _amcsd_database_code data items from all series 9 CIFs. |
9013659.cif |
77877 | 2013-03-29 | cod/ (saulius@koala.ibt.lt) Removing mineral names from those crystal structures that do not actually describe minerals (e.g. synthetic entries; data source: file COD-minerals.xlsx from my 2012-08-24 15:47 e-mail). |
9013659.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) |
9013659.cif |
35913 | 2012-02-28 | cif/9/ Reorganising range 9 into a prefix-directory tree. Range 9 is the last range to be reorganised. |
9013659.cif |
1214 | 2010-06-10 | cif/9/ Adding new CIFs from the AMCSD-resynchronisation-2010.04.24/ data processing. |
9013659.cif |
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Users of the data should acknowledge the original authors of the
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