# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-11T01:59:24+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Applied Clay Science') AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1550598","5.17375","","8.98502","","7.35224","","91.6843","","105.128","","89.7549","","329.789","","","","","","","","","","","","","4","P 1","P 1","1","","","Kaolinite","- Al2 H4 O9 Si2 -","- Al2 H4 O9 Si2 -","- Al4 H8 O18 Si4 -","2","2","","Richard, D.; Rendtorff, N. M.","First principles study of structural properties and electric field gradients in kaolinite","Applied Clay Science","2019","169","","67","73","10.1016/j.clay.2018.12.013","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","213663","2020-10-21","18:00:00",""
"1566357","5.185369","","8.997871","","7.347378","","91.7552","","105.095","","89.8358","","330.82","","","","","","","","","","","","","4","P 1","P 1","1","","Kaolinite K-I","","- Al2 H4 O9 Si2 -","- Al2 H4 O9 Si2 -","- Al4 H8 O18 Si4 -","2","2","","Richard, D; Rendtorff, N M","Kaolin group minerals under pressure: The study of their structural and electronic properties by DFT methods","Applied Clay Science","2022","219","","106444","106444","10.1016/j.clay.2022.106444","","","","","","","","","","","","","","","","","","","","","has coordinates","272966","2022-02-15","19:03:53",""
"1566358","5.210756","","5.189703","","7.581904","","89.3723","","72.4369","","119.963","","166.073","","","","","","","","","","","","","4","P 1","P 1","1","","Kaolinite K-II","","- Al2 H4 O9 Si2 -","- Al2 H4 O9 Si2 -","- Al2 H4 O9 Si2 -","1","1","","Richard, D; Rendtorff, N M","Kaolin group minerals under pressure: The study of their structural and electronic properties by DFT methods","Applied Clay Science","2022","219","","106444","106444","10.1016/j.clay.2022.106444","","","","","","","","","","","","","","","","","","","","","has coordinates","272967","2022-02-15","19:08:20",""
"1566359","5.162169","","5.176777","","7.781752","","104.444","","98.2915","","119.884","","165.438","","","","","","","","","","","","","4","P 1","P 1","1","","Kaolinite K-III","","- Al2 H4 O9 Si2 -","- Al2 H4 O9 Si2 -","- Al2 H4 O9 Si2 -","1","1","","Richard, D; Rendtorff, N M","Kaolin group minerals under pressure: The study of their structural and electronic properties by DFT methods","Applied Clay Science","2022","219","","106444","106444","10.1016/j.clay.2022.106444","","","","","","","","","","","","","","","","","","","","","has coordinates","272968","2022-02-15","19:11:34",""
"1566360","5.159081","","8.934001","","14.410312","","90","","96.3063","","90","","660.17","","","","","","","","","","","","","4","P 1","P 1","1","","Dickite","","- Al2 H4 O9 Si2 -","- Al2 H4 O9 Si2 -","- Al8 H16 O36 Si8 -","4","4","","Richard, D; Rendtorff, N M","Kaolin group minerals under pressure: The study of their structural and electronic properties by DFT methods","Applied Clay Science","2022","219","","106444","106444","10.1016/j.clay.2022.106444","","","","","","","","","","","","","","","","","","","","","has coordinates","272969","2022-02-15","19:20:39",""
"1566361","5.185121","","8.939635","","14.188437","","90.001","","89.08","","89.9997","","657.593","","","","","","","","","","","","","4","P 1","P 1","1","","HP-dickite","","- Al2 H4 O9 Si2 -","- Al2 H4 O9 Si2 -","- Al8 H16 O36 Si8 -","4","4","","Richard, D; Rendtorff, N M","Kaolin group minerals under pressure: The study of their structural and electronic properties by DFT methods","Applied Clay Science","2022","219","","106444","106444","10.1016/j.clay.2022.106444","","","","","","","","","","","","","","","","","","","","","has coordinates","272970","2022-02-15","19:24:07",""
"1566362","8.902908","","5.163177","","14.518933","","90.0004","","99.3478","","90","","658.533","","","","","","","","","","","","","4","P 1","P 1","1","","Nacrite","","- Al2 H4 O9 Si2 -","- Al2 H4 O9 Si2 -","- Al8 H16 O36 Si8 -","4","4","","Richard, D; Rendtorff, N M","Kaolin group minerals under pressure: The study of their structural and electronic properties by DFT methods","Applied Clay Science","2022","219","","106444","106444","10.1016/j.clay.2022.106444","","","","","","","","","","","","","","","","","","","","","has coordinates","272971","2022-02-15","19:26:18",""