# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T18:28:29+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 'Powder Diffraction') AND volume = 24 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
"1507761","8.3242","0.0003","7.2502","0.0003","11.8875","0.0004","90","","90","","90","","717.44","0.05","293","","293","","","","","","","","Thermal decomposition of K2(H5O2)Al2F9 Le Bail, A., Duroy, H. and Fourquet, J.L. (1992). J. Solid State Chem. 98, 151-158.","3","P n m a","-P 2ac 2n","62","potassium tetrafluoroaluminate","","","- Al F4 K -","- Al F4 K -","- Al8 F32 K8 -","8","1","","Le Bail, A","Ab initio structure determination of theta-KAlF4 with edge-sharing AlF6 octahedra","Powder Diffraction","2009","24","3","185","190","10.1154/1.3194692","powder diffraction","","","X-ray","","","","","","","","","4.9679","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507767","3.6121","0.0003","14.952","0.0012","5.2692","0.0004","90","","90","","90","","284.58","0.04","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al F4 Na -","- Al F4 Na -","- Al4 F16 Na4 -","4","0.25","","Le Bail, A","Crystal structure of NaAlF4, a new aristotype","Powder Diffraction","2009","24","4","301","305","10.1154/1.3257603","","","","X-ray","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507768","13.5135","0.00016","7.04327","0.00013","12.2253","0.0002","90","","90","","90","","1163.59","0.03","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Al3 F12 H4 K3 O2 -","- Al3 F12 K3 O2 -","- Al12 F48 K12 O8 -","4","0.5","","Le Bail, A","Thermodiffractometry and crystal structures of the hexagonal-tungsten-bronze-related K3Al3F12.nH2O (n=2,1)","Powder Diffraction","2009","24","","292","300","10.1154/1.3257585","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507769","7.0523","0.0005","12.1005","0.0009","6.7057","0.0005","90","","90","","90","","572.24","0.07","443","2","443","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- Al3 F12 H2 K3 O -","- Al3 F12 K3 O -","- Al6 F24 K6 O2 -","2","0.25","","Le Bail, A","Thermodiffractometry and crystal structures of the hexagonal-tungsten-bronze-related K3Al3F12.nH2O (n=2,1)","Powder Diffraction","2009","24","","292","300","10.1154/1.3257585","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"9014019","3.00896","","3.00896","","3.00896","","90","","90","","90","","27.243","","","","","","","","","","","","Synthetic","2","P m -3 m","-P 4 2 3","221","","","","- Ni0.493 Ti0.507 -","- Ni0.493 Ti0.507 -","- Ni0.493 Ti0.507 -","1","0.0208333","","Sitepu, H.","Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Annealed","Powder Diffraction","2009","24","","315","326","10.1154/1.3257906","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014315","7.341","","7.341","","5.26996","","90","","90","","120","","245.951","","","","","","","","","","","","Synthetic","2","P -3","-P 3","147","","","","- Ni Ti -","- Ni Ti -","- Ni9 Ti9 -","9","1.5","","Sitepu, H.","Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Aged","Powder Diffraction","2009","24","","315","326","10.1154/1.3257906","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9014987","3.9624","","13.86","","3.6971","","90","","90","","90","","203.041","","","","","","","","","","","","Synthetic","2","P b n m","-P 2c 2ab","62","","","Molybdite","- Mo O3 -","- Mo O3 -","- Mo4 O12 -","4","0.5","","Sitepu, H.","Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: March model","Powder Diffraction","2009","24","","315","326","10.1154/1.3257906","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015390","4.99029","","4.99029","","17.0687","","90","","90","","120","","368.114","","","","","","","","","","","","Synthetic","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Sitepu, H.","Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: March model","Powder Diffraction","2009","24","","315","326","10.1154/1.3257906","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015401","3.9624","","13.86","","3.6971","","90","","90","","90","","203.041","","","","","","","","","","","","Synthetic","2","P b n m","-P 2c 2ab","62","","","Molybdite","- Mo O3 -","- Mo O3 -","- Mo4 O12 -","4","0.5","","Sitepu, H.","Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Generalized spherical-harmonic model","Powder Diffraction","2009","24","","315","326","10.1154/1.3257906","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015813","2.8758","","4.12644","","4.6325","","90","","90","","96.964","","54.567","","","","","","","","","","","","Synthetic","2","P 1 1 21/m","-P 2c","11","","","","- Ni Ti -","- Ni Ti -","- Ni2 Ti2 -","2","0.5","","Sitepu, H.","Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Annealed","Powder Diffraction","2009","24","","315","326","10.1154/1.3257906","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:53",""
"9016022","4.99026","","4.99026","","17.0684","","90","","90","","120","","368.103","","","","","","","","","","","","Synthetic","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Sitepu, H.","Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Generalized spherical-harmonic model","Powder Diffraction","2009","24","","315","326","10.1154/1.3257906","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016227","3.01302","","3.01302","","3.01302","","90","","90","","90","","27.353","","","","","","","","","","","","Synthetic","2","P m -3 m","-P 4 2 3","221","","","","- Ni0.493 Ti0.507 -","- Ni0.493 Ti0.507 -","- Ni0.493 Ti0.507 -","1","0.0208333","","Sitepu, H.","Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Aged","Powder Diffraction","2009","24","","315","326","10.1154/1.3257906","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016342","2.8894","","4.1334","","4.6321","","90","","90","","96.929","","54.917","","","","","","","","","","","","Synthetic","2","P 1 1 21/m","-P 2c","11","","","","- Ni Ti -","- Ni Ti -","- Ni2 Ti2 -","2","0.5","","Sitepu, H.","Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Aged","Powder Diffraction","2009","24","","315","326","10.1154/1.3257906","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""