# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-21T15:26:57+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 'Chemica Scripta') 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
"1510795","6.492","","11.645","","17.904","","90","","90","","90","","1353.53","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Pb6 O2 (B O3)2 S O4","","- B2 O12 Pb6 S -","- B2 O12 Pb6 S -","- B8 O48 Pb24 S4 -","4","0.5","","Aurivillius, B.","The crystal structure of a basic lead borate sulfate, Pb6 O2 (B O3)2 S O4","Chemica Scripta","1983","22","","168","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1523079","20.148","","20.148","","20.148","","90","","90","","90","","8178.92","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Mg44 Rh7 -","- Mg44 Rh7 -","- Mg352 Rh56 -","8","0.0833333","","Westin, L.","The crystal structure of Rh7 Mg22","Chemica Scripta","1971","1","","127","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523080","6.929","","6.929","","6.929","","90","","90","","90","","332.669","","","","","","","","","","","","","2","P 41 3 2","P 4bd 2ab 3","213","","","","- Mg3 Ru2 -","- Mg3 Ru2 -","- Mg12 Ru8 -","4","0.166667","","Westin, L.; Edshammar, L.E.","Intermetallic compounds in the ruthenium-magnesium system","Chemica Scripta","1973","3","","15","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523081","20.19","","20.19","","20.19","","90","","90","","90","","8230.17","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Mg43.83 Ru7.17 -","- Mg43.834 Ru7.166 -","- Mg350.672 Ru57.328 -","8","0.0833333","","Westin, L.; Edshammar, L.E.","Intermetallic compounds in the ruthenium-magnesium system","Chemica Scripta","1973","3","","15","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523195","10.2743","","10.2743","","3.9875","","90","","90","","120","","364.532","","","","","","","","","","","","","3","P -6","P -6","174","","Pb7 Cl2 F12","","- Cl2 F12 Pb7 -","- Cl2 F12 Pb7 -","- Cl2 F12 Pb7 -","1","0.166667","","Aurivillius, B.","X-ray studies on (Pb F2)6 Pb X2 (X= Cl, Br) and Pb F I","Chemica Scripta","1976","10","","206","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","143808","2020-10-21","18:00:00",""
"1523196","8.1546","","8.1546","","5.7218","","90","","90","","90","","380.485","","","","","","","","","","","","","3","P 42/n m c :2","-P 4ac 2a","137","","Pb2 F2 O","","- F2 O Pb2 -","- F2 O Pb2 -","- F8 O4 Pb8 -","4","0.25","","Aurivillius, B.","X-ray studies of lead oxide fluoride and related compounds","Chemica Scripta","1976","10","","156","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524688","12.2605","","12.2605","","3.8259","","90","","90","","90","","575.109","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","K0.37 W O3","","- K0.37 O3 W -","- K0.371 O3 W -","- K3.71 O30 W10 -","10","0.625","","Kihlborg, L.; Klug, A.","The alkali metal distribution in the tetraqonal potassium tungsten bronze structure","Chemica Scripta","1973","3","","207","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524788","34.85","","7.33","","7.758","","90","","90","","90","","1981.79","","","","","","","","","","","","","3","P 2 2 21","P 2c 2","17","","Cs.07 W O3","","- Cs0.137778 O4 W1.11111 -","- Cs0.137778 O4 W1.11111 -","- Cs2.48 O72 W20 -","18","4.5","","Hussain, A.","The Crystal Structure of a Cesium Intergrowth Tungstem Bronze","Chemica Scripta","1977","11","","224","227","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1524789","34.85","","7.33","","3.879","","90","","90","","90","","990.892","","","","","","","","","","","","","3","P 2 2 21","P 2c 2","17","","Cs0.069 W O3","","- Cs0.137778 O4 W1.11111 -","- Cs0.137778 O4 W1.11111 -","- Cs2.48 O72 W20 -","18","4.5","","Hussain, A.","The crystal structure of a cesium intergrowth tungsten bronze","Chemica Scripta","1977","11","","224","227","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1525567","12.115","","19.708","","10.11","","90","","90","","90","","2413.89","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","H Cl O4 (H2 O)3.5","","- Cl H8 O7.5 -","- Cl H8 O7.5 -","- Cl16 H128 O120 -","16","2","","Almloef, J.","Hydrogen Bond Studies. 72. The crystal structure of H Cl O4 (H2 O)3.5","Chemica Scripta","1973","3","","73","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527325","15.5575","","15.5575","","15.5575","","90","","90","","90","","3765.47","","","","","","","","","","","","","2","P 41 3 2","P 4bd 2ab 3","213","","","","- Ru Zn6 -","- Ru Zn6 -","- Ru36 Zn216 -","36","1.5","","Edstroem, V.A.; Westman, S.","The crystal structure of the primitive cubic, non-centro- symmetric phase Ru Zn6","Chemica Scripta","1971","1","","137","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1529571","5.7521","","5.7269","","12.541","","90","","90","","90","","413.122","","","","","","","","","","","","","4","A c m m","-A 2 2b","67","","Pb2 O F Cl","","- Cl F O Pb2 -","- Cl F O Pb2 -","- Cl4 F4 O4 Pb8 -","4","0.25","","Aurivillius, B.","A case of mimetic twinning the crystal structure of Pb2 O F X (X = Cl, Br and I)","Chemica Scripta","1977","11","","208","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529572","14.3421","","14.3421","","4.0528","","90","","90","","120","","721.957","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Na2 Pb11 F18 Br6","","- Br6 F18 Na2 Pb11 -","- Br6 F18 Na2.0002 Pb10.9998 -","- Br6 F18 Na2.0002 Pb10.9998 -","1","0.0833333","","Aurivillius, B.","X-ray studies on mixed sodium lead bromide fluorides with the limiting composition 3Pb F2 * Pb Br2 and similar substances","Chemica Scripta","1977","12","","18","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","154021","2020-10-21","18:00:00",""
"1529573","3.9058","","3.9058","","8.779","","90","","90","","90","","133.926","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","(Nd Bi5).5 O4 Cl","","- Bi2.5 Cl Nd0.5 O4 -","- Bi2.499 Cl Nd0.501 O4 -","- Bi2.499 Cl Nd0.501 O4 -","1","0.0625","","Aurivillius, B.","Crystal structure of Nd Bi5 O8 Cl2. Single crystal investigations on Bi3 O4 Br and Bi12 O17 Cl2","Chemica Scripta","1984","24","","125","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529574","5.7051","","5.6935","","18.949","","90","","90","","90","","615.501","","","","","","","","","","","","","3","P n a n","-P 2n 2bc","52","","","","- Bi3 Br O4 -","- Bi3 Br O4 -","- Bi12 Br4 O16 -","4","0.5","","Aurivillius, B.","Crystal structure of Nd Bi5 O8 Cl2. Single crystal investigations on Bi3 O4 Br and Bi12 O17 Cl2","Chemica Scripta","1984","24","","125","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530325","7.305","","6.594","","3.7662","","87.39","","85.19","","123.81","","149.27","","","","","","","","","","","","","4","P -1","-P 1","2","","Cu Nb O3 F","","- Cu F Nb O3 -","- Cu F Nb O3 -","- Cu2 F2 Nb2 O6 -","2","1","","Lundberg, M.; Savborg, O.","The crystal structure of Cu Nb O3 F","Chemica Scripta","1979","13","","197","200","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530351","6.0421","","6.0421","","7.4677","","90","","90","","120","","236.099","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Mg3 Nb6 O11 -","- Mg3 Nb6 O11 -","- Mg3 Nb6 O11 -","1","0.0833333","","Marinder, B.O.","Mg3 Nb6 O11 -an oxide containing isolated octahedra of niobium atoms. A structural determination and refinement from X-Ray powder film data","Chemica Scripta","1977","11","","97","101","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530352","9.488","","8.44","","6.763","","90","","90.93","","90","","541.501","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Cu Nb O3 -","- Cu Nb O3 -","- Cu8 Nb8 O24 -","8","1","","Marinder, B.O.; Wahlstroem, E.","Cu Nb O3 -a Structure with Stepped Nb O3 Layers","Chemica Scripta","1984","23","","157","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534689","4.0149","","4.0149","","22.922","","90","","90","","90","","369.489","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Pb6.3 Mo O8 Br1.8","","- Br1.8 Mo O8 Pb6.3 -","- Br1.8 Mo0.9 O8 Pb6.3 -","- Br1.8 Mo0.9 O8 Pb6.3 -","1","0.03125","","Aurivillius, B.","On the Crystal Structure of a Number of Non-Stoichiometric Mixed Lead Oxide Halides Composed of PbO Like Blocks and Single Halogen Layers","Chemica Scripta","1982","19","","97","107","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534692","4.0158","","4.0158","","22.765","","90","","90","","90","","367.123","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","((Pb O)6 (W O3) (Pb Br2)).9","","- Br1.8 O8.1 Pb6.3 W0.9 -","- Br1.8 O8 Pb6.3 W0.9 -","- Br1.8 O8 Pb6.3 W0.9 -","1","0.03125","","Aurivillius, B.","On the Crystal Structure of a Number of Non-Stoichiometric Mixed Lead Oxide Halides Composed of PbO Like Blocks and Single Halogen Layers","Chemica Scripta","1982","19","","97","107","","","","","","","","","","","","","","","","","","","","","","has coordinates","161635","2020-10-21","18:00:00",""
"1534696","3.9161","","3.9161","","22.746","","90","","90","","90","","348.829","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","((Pb O)7 (P O2.5) (Pb Cl2))0.9","","- Cl1.8 O4 P0.9 Pb7.1 -","- Cl1.8 O4 P0.9 Pb7.1 -","- Cl1.8 O4 P0.9 Pb7.1 -","1","0.03125","","Aurivillius, B.","On the crystal structure of a number of non-stoichiometric mixed lead oxide halides composed of Pb O like blocks and single halogen layers","Chemica Scripta","1982","19","","97","107","","","","","","","","","","","","","","","","","","","","","","has coordinates","161640","2020-10-21","18:00:00",""
"1534700","5.623","","5.623","","23.119","","90","","90","","90","","730.98","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(Pb O)6 Nb O2.5 Pb Br2","","- Br2 Nb O8.5 Pb7 -","- Br2 Nb O8 Pb7 -","- Br2 Nb O8 Pb7 -","1","0.03125","","Aurivillius, B.","On the Crystal Structure of Some Non-Stoichiometric Mixed Lead Oxide Halides and Their Relation to the Minerals ""Lorettoite"" and Sundiusite","Chemica Scripta","1983","22","","5","11","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534702","3.9473","","3.9473","","23.221","","90","","90","","90","","361.811","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(Pb O)6.5 (Cr O3).5 Pb Cl2","","- Cl2 Cr0.5 O8 Pb7.5 -","- Cl2 Cr0.5 O8 Pb7.5 -","- Cl2 Cr0.5 O8 Pb7.5 -","1","0.03125","","Aurivillius, B.","On the Crystal Structure of Some Non-Stoichiometric Mixed Lead Oxide Halides and Their Relation to the Minerals ""Lorettoite"" and Sundiusite","Chemica Scripta","1983","22","","5","11","","","","","","","","","","","","","","","","","","","","","","has coordinates","161650","2020-10-21","18:00:00",""
"1534705","3.9346","","3.9346","","23.209","","90","","90","","90","","359.3","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(Pb O)6.5 (S O3).5 Pb Cl2","","- Cl2 O8 Pb7.5 S0.5 -","- Cl2 O8 Pb7.5 S0.5 -","- Cl2 O8 Pb7.5 S0.5 -","1","0.03125","","Aurivillius, B.","On the Crystal Structure of Some Non-Stoichiometric Mixed Lead Oxide Halides and Their Relation to the Minerals ""Lorettoite"" and Sundiusite","Chemica Scripta","1983","22","","5","11","","","","","","","","","","","","","","","","","","","","","","has coordinates","161655","2020-10-21","18:00:00",""
"9012903","5.7221","","5.7269","","12.541","","90","","90","","90","","410.967","","","","","","","","","","","","Synthetic","4","A c m m","-A 2 2b","67","","","","- Cl F O Pb2 -","- Cl F O Pb2 -","- Cl4 F4 O4 Pb8 -","4","0.25","","Aurivillius, B.","A case of mimetic twinning. The crystal structures of Pb2OFX (X=Cl, Br, and I) Locality: synthetic Sample: Pb2OFCl(L), isostructural with blixite","Chemica Scripta","1977","11","","208","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012904","5.7293","","5.7293","","12.5602","","90","","90","","90","","412.287","","","","","","","","","","","","Synthetic","4","A c m m","-A 2 2b","67","","","","- Cl F O Pb2 -","- Cl F O Pb2 -","- Cl4 F4 O4 Pb8 -","4","0.25","","Aurivillius, B.","A case of mimetic twinning. The crystal structures of Pb2OFX (X=Cl, Br, and I) Locality: synthetic Sample: Pb2OFCl(H), part A of the twin, isostructural with blixite","Chemica Scripta","1977","11","","208","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012905","5.7293","","5.7293","","12.5602","","90","","90","","90","","412.287","","","","","","","","","","","","Synthetic","4","A c m m","-A 2 2b","67","","","","- Cl F O Pb2 -","- Cl F O Pb2 -","- Cl4 F4 O4 Pb8 -","4","0.25","","Aurivillius, B.","A case of mimetic twinning. The crystal structures of Pb2OFX (X=Cl, Br, and I) Locality: synthetic Sample: Pb2OFCl(H), part B of the twin, isostructural with blixite","Chemica Scripta","1977","11","","208","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""