# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-03-13T22:05:31+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 'Materials Science Forum') AND volume = 321 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
"1525991","5.4684","","5.5029","","7.7497","","90","","90","","90","","233.204","","","","","","","","","","","","","5","P b n m","-P 2c 2ab","62","","(Ca0.62 La0.38) (Mg0.19 Ti0.81) O3","","- Ca0.62 La0.38 Mg0.19 O3 Ti0.81 -","- Ca0.62 La0.38 Mg0.19 O3 Ti0.81 -","- Ca2.48 La1.52 Mg0.76 O12 Ti3.24 -","4","0.5","","Meden, A.; Ceh, M.","Rietveld refinement of Ca0.54 La0.46 Mg0.23 Ti0.77 O3 - a promising new microwave ceramic","Materials Science Forum","2000","321","","988","993","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1526033","5.79492","","5.79492","","22.68379","","90","","90","","120","","659.692","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Sr Cr8.23 Ga3.77 O19","","- Cr8.23 Ga3.77 O19 Sr -","- Cr8.23 Ga3.77 O19 Sr -","- Cr16.46 Ga7.54 O38 Sr2 -","2","0.0833333","","Mondelli, C.; Payen, C.; Taglieri, G.; Ouladdiaf, B.; Mutka, H.","Neutron and X-ray diffraction study of the Sr Cr8 Ga4 O19 Kagome compound synthesized by citrate route","Materials Science Forum","2000","321","","828","833","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526071","10.054","","10.054","","3.528","","90","","90","","120","","308.842","","","","","","","","","","","","","5","P -6 2 m","P -6 -2","189","","Pb3 Sr4 Ca Cu O10.62","","- Ca Cu O10.62 Pb3 Sr4 -","- Ca0.999 Cu O10.62 Pb3 Sr4.001 -","- Ca0.999 Cu O10.62 Pb3 Sr4.001 -","1","0.0833333","","Gaeberlein, P.O.G.","Solid solution compositions of Pb3 (Sr, Ca)5 Cu Oy and refinement with the Rietveld method","Materials Science Forum","2000","321","","846","851","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526332","9.997","","9.997","","9.997","","90","","90","","90","","999.1","","","","","","","","","","","","","7","F m -3 m","-F 4 2 3","225","","K Cu (Co (C N)6) (H2 O)9","","- C6 H18 Co Cu K N6 O9 -","- C6 Co Cu K N6 O9 -","- C12 Co2 Cu2 K2 N12 O18 -","2","0.0104167","","Ratuszna, A.; Malecki, G.","Crystal structure of cubic K Me (M (C N)6)2 and monoclinic Mn3 (Fe (C N)6)2 with Me = Co, Ni, Cu; M = Co, Fe","Materials Science Forum","2000","321","","947","953","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526334","10.227","","10.227","","10.227","","90","","90","","90","","1069.66","","","","","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","K Co (Co (C N)6) (H2 O)11.28","","- C6 H22.56 Co2 K N6 O11.28 -","- C6 Co2 K N6 O11.28 -","- C12 Co4 K2 N12 O22.56 -","2","0.0104167","","Ratuszna, A.; Malecki, G.","Crystal structure of cubic K Me (M (C N)6)2 and monoclinic Mn3 (Fe (C N)6)2 with Me = Co, Ni, Cu; M = Co, Fe","Materials Science Forum","2000","321","","947","953","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526335","10.093","","10.093","","10.093","","90","","90","","90","","1028.16","","","","","","","","","","","","","7","F m -3 m","-F 4 2 3","225","","K Ni (Co (C N)6) (H2 O)9.6","","- C6 H19.2 Co K N6 Ni O9.6 -","- C6 Co K N6 Ni O9.6 -","- C12 Co2 K2 N12 Ni2 O19.2 -","2","0.0104167","","Ratuszna, A.; Malecki, G.","Crystal structure of cubic K Me (M (C N)6)2 and monoclinic Mn3 (Fe (C N)6)2 with Me = Co, Ni, Cu; M = Co, Fe","Materials Science Forum","2000","321","","947","953","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526336","10.121","","10.117","","10.136","","90","","92.92","","90","","1036.52","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Mn3 (Fe (C N)6)2 (H2 O)2","","- C12 H4 Fe2 Mn3 N12 O2 -","- C12 Fe2 Mn3 N12 O2 -","- C24 Fe4 Mn6 N24 O4 -","2","0.5","","Ratuszna, A.; Malecki, G.","Crystal structure of cubic K Me (M (C N)6)2 and monoclinic Mn3 (Fe (C N)6)2 with Me = Co, Ni, Cu; M = Co, Fe","Materials Science Forum","2000","321","","947","953","","","","","","","","","","","","","","","","","","","","","","has coordinates","147493","2020-10-21","18:00:00",""
"1526339","3.0654","","3.0654","","17.635","","90","","90","","120","","143.509","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ti3 Si C2","","- C2 Si Ti3 -","- C2 Si Ti3 -","- C4 Si2 Ti6 -","2","0.0833333","","Rawn, C.J.; Payzant, E.A.; Hubbard, C.R.; Barsoum, M.W.; El-Raghy, T.","Structure of Ti3 Si C2","Materials Science Forum","2000","321","","889","892","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526421","5.9","","5.9","","14.433","","90","","90","","120","","435.102","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Rb (Zn F3)","","- F3 Rb Zn -","- F3 Rb Zn -","- F18 Rb6 Zn6 -","6","0.25","","Rybczynski, J.; Ratuszna, A.; Waskowska, A.; Daniel, P.; Gesland, J.Y.","Investigation of the crystal structure of the hexagonal Rb Zn F3 perovskite by powder and single crystal X-ray diffraction methods","Materials Science Forum","2000","321","","942","946","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526439","8.3017","","8.3017","","8.3017","","90","","90","","90","","572.138","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","(Fe0.51 Mg0.49) (Cr0.73 Al0.27)2 O4","","- Al0.54 Cr1.46 Fe0.51 Mg0.49 O4 -","- Al0.54 Cr1.46 Fe0.51 Mg0.49 O4 -","- Al4.32 Cr11.68 Fe4.08 Mg3.92 O32 -","8","0.0416667","","Salviulo, G.; della Giusta, A.; Carbonin, S.","Powder and single-crystal X-ray structural refinements on a natural chromite: dependence of site occupancies on experimental strategies","Materials Science Forum","2000","321","","46","52","","","","","","","","","","","","","","","","","","","","","","has coordinates","147624","2020-10-21","18:00:00",""
"1526510","10.0325","","17.976","","5.2698","","90","","104.7","","90","","919.27","","","","","","","","","","","","","9","C 1 2/m 1","-C 2y","12","","(K0.92 Na0.08) (Na1.36 Ca0.36 Sr0.28) Mg3 (Mg1.84 Fe0.16) Si8 O22 (O H)2","","- Ca0.36 Fe0.16 H2 K0.92 Mg4.84 Na1.44 O24 Si8 Sr0.28 -","- Ca0.36 Fe0.16 K0.92 Mg4.84 Na1.44 O24 Si8 Sr0.28 -","- Ca0.72 Fe0.32 K1.84 Mg9.68 Na2.88 O48 Si16 Sr0.56 -","2","0.25","","Kabalov, Yu.; Sokolova, E.; Schneider, J.; Gorbatova, V.; Konev, A.","A unique Sr-rich K-richterite from Siberia: Rietveld structure refinement","Materials Science Forum","2000","321","","994","998","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526660","5.4482","","10.916","","15.445","","90","","90","","90","","918.554","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","K Al O2","","- Al K O2 -","- Al K O2 -","- Al16 K16 O32 -","16","2","","Sokolowski, J.; Kotarba, A.","The structure of potassium aluminium oxide K Al O2","Materials Science Forum","2000","321","","954","959","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526766","5.84","","5.84","","14.308","","90","","90","","120","","422.606","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Rb Ni F3","","- F3 Ni Rb -","- F3 Ni Rb -","- F18 Ni6 Rb6 -","6","0.25","","Krezhov, K.; Konstantinov, P.","Neutron diffraction investigation of Rb Ni F3","Materials Science Forum","2000","321","","938","941","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527047","9.42","","9.42","","18.61809","","90","","90","","90","","1652.1","","","","","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","(Cu0.165 Mn6.835) Si O12","","- Cu0.165 Mn6.835 O12 Si -","- Cu0.165 Mn6.835 O12 Si -","- Cu1.32 Mn54.68 O96 Si8 -","8","0.25","","Zotov, N.; Boysen, H.; Miletich, R.; Tietze, H.; Kockelmann, W.","Copper substitution in (Cu, Mn)7 O12 braunite: a combined neutron and X-ray powder diffraction study","Materials Science Forum","2000","321","","791","795","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527048","9.4247","","9.4247","","18.66879","","90","","90","","90","","1658.26","","","","","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","(Cu0.046 Mn6.954) Si O12","","- Cu0.046 Mn6.954 O12 Si -","- Cu0.046 Mn6.954 O12 Si -","- Cu0.368 Mn55.632 O96 Si8 -","8","0.25","","Zotov, N.; Miletich, R.; Kockelmann, W.; Boysen, H.; Tietze, H.","Copper substitution in (Cu, Mn)7 O12 braunite: a combined neutron and X-ray powder diffraction study","Materials Science Forum","2000","321","","791","795","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"6000759","11.4612","","11.4612","","8.904","","90","","90","","90","","1169.62","","","","","","","","","","","","","5","I 41/a","","","","","","- C4 H8 K O12 Y -","","","","","","Bataille, T.; Auffrédic, J. P.; Louër, D.","A powder diffraction study of the crystal structure and the dehydration process of yttrium potassium oxalate tetrahydrate","Materials Science Forum","2000","321","","976","981","10.4028/www.scientific.net/MSF.321-324.976","","","","","","","","","","","","","","","","","","","","","","188694","2020-10-21","18:00:00",""
"9012717","6.3165","","6.3165","","7.4278","","90","","90","","120","","256.652","","","","","","","","","","","","Synthetic","3","P -6 2 c","P -6c -2c","190","","","Majakite","- As Ni0.808 Pd1.192 -","- As Ni0.808 Pd1.192 -","- As6 Ni4.848 Pd7.152 -","6","0.5","","Evstigneeva, T.; Kabalov, Y.; Schneider, J.","Crystal structure of PdNiAs, ordered member of isomorphous series Pd2As-Ni2As","Materials Science Forum","2000","321","","700","705","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""