# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-10T06:06:41+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 'Crystallography Reports') AND volume = 54 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
"9013982","15.955","","15.955","","27.81","","90","","90","","120","","6130.91","","","","100","","","","","","","","Sakavalana granitic pegmatite, Antsirabe, Fianarantsoa Province, Madagascar","8","R -3 c :H","-R 3 2""c","167","","","Pezzottaite","- Al2 Be2 Cs0.75 H6 Li Na0.226 O18.285 Si6 -","- Al2 Be2 Cs0.749667 H0.57 Li Na0.225667 O18.285 Si6 -","- Al36 Be36 Cs13.494 H10.26 Li18 Na4.062 O329.13 Si108 -","18","0.5","","Yakubivich, O. V.; Pekov, I. V.; Steele, I. M.; Massa, W.; Chukanov, N. V.","Alkali metals in beryl and their role in the formation of derivative structural motifs: Comparative crystal chemistry of vorobyevite and pezzottaite Locality: Sakavalana granitic pegmatite, Antsirabe, Fianarantsoa Province, Madagascar Note: T = 100 K","Crystallography Reports","2009","54","","399","412","10.1134/S1063774509030067","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:46",""
"9013983","9.2101","","9.2101","","9.2179","","90","","90","","120","","677.16","","","","100","","","","","","","","Lipovka pegmatite field, Rezh District, Central Urals, Urals Region, Russia","8","P 6/m c c","-P 6 2c","192","","","Beryl","- Al2 Be2.34 Cs0.079 H2 Li0.66 Na0.419 O18.19 Si6 -","- Al2 Be2.34 Cs0.079 H0.38 Li0.66 Na0.419 O18.19 Si6 -","- Al4 Be4.68 Cs0.158 H0.76 Li1.32 Na0.838 O36.38 Si12 -","2","0.0833333","","Yakubivich, O. V.; Pekov, I. V.; Steele, I. M.; Massa, W.; Chukanov, N. V.","Alkali metals in beryl and their role in the formation of derivative structural motifs: Comparative crystal chemistry of vorobyevite and pezzottaite Locality: Lipovka pegmatite field, Rezh District, Central Urals, Urals Region, Russia Note: T = 100 K Note: variety vorobyevite Note: Coordinates of O1 and O2 corrected by Yakubivich","Crystallography Reports","2009","54","","399","412","10.1134/S1063774509030067","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9013984","16.33","","5.6389","","11.685","","90.08","","126.446","","89.95","","865.546","","","","","","","","","","","","Yoko Dovyrensky massif, northern Baikal region, Russia","4","P 1","P 1","1","","","Afwillite","- Ca3 H6 O10 Si2 -","- Ca3 H6 O10 Si2 -","- Ca12 H24 O40 Si8 -","4","4","","Rastsvetaeva, R. K.; Chukanov, N. V.; Zadov, A. E.","Refined structure of afwillite from the northern Baikal region","Crystallography Reports","2009","54","","418","422","10.1134/S1063774509030080","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:50",""
"9013985","15.876","","11.86","","6.607","","90","","95.49","","90","","1238.32","","","","","","","","","","","","Sapucaia mine, Minas Gerais, Brazil","9","C 1 2/c 1","-C 2yc","15","","","Zanazziite","- Al0.26 Be2 Ca Fe0.97 H8.5 Mg1.61 Mn0.18 O17 P3 -","- Al0.26 Be2 Ca Fe0.97 H7.5 Mg1.61 Mn0.18 O17 P3 -","- Al1.04 Be8 Ca4 Fe3.88 H30 Mg6.44 Mn0.72 O68 P12 -","4","0.5","","Rastsvetaeva, R. K.; Rozenberg, K. A.; Chukanov, N. V.; Mockel, S.","The crystal structure of an iron-rich variety of zanazziite belonging to heteropolyhedral framework roscherite-group beryllophosphates","Crystallography Reports","2009","54","","568","571","10.1134/S1063774509040051","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9013986","10.4372","","10.4372","","37.4876","","90","","90","","120","","3536.6","","","","","","","","","","","","synthesized","4","R 3 c :H","R 3 -2""c","161","","","Calcium Thorium Phosphate","- Ca10.381 O28 P7 Th0.119 -","- Ca10.381 O28 P7 Th0.119 -","- Ca62.286 O168 P42 Th0.714 -","6","0.333333","","Orlova, A. I.; Khainakov, S. A.; Loginova, E. E.; Oleneva, T. A.; Garcia Granda, S.; Kurazhkovskaya, V. S.","Calcium thorium phosphate (whitlockite-type mineral). Synthesis and structure refinement","Crystallography Reports","2009","54","","591","597","10.1134/S1063774509040087","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9013987","12.688","","12.688","","5.189","","90","","90","","120","","723.437","","","","","","","","","","","","","8","P 63","P 6c","173","","","Cancrinite","- C0.5 H6 Al3 Ca0.03 K0.18 Na3.53 O14.25 Si3 -","- C0.5 H1.5 Al3 Ca0.03 K0.18 Na3.53 O14.25 Si3 -","- C H3 Al6 Ca0.06 K0.36 Na7.06 O28.5 Si6 -","2","0.333333","","Rozenberg, K. A.; Rastsvetaeva, R. K.; Chukanov, N. V.","Crystal structures of oxalate-bearing cancrinite with an unusual arrangement of CO3 groups and sulfate-rich davyne Locality: Kovdor massif, Kola Peninsula, Russia Note: Enraf Nonius diffractometer","Crystallography Reports","2009","54","","793","799","10.1134/S1063774509050101","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9013988","12.688","","12.688","","5.189","","90","","90","","120","","723.437","","","","","","","","","","","","","8","P 63","P 6c","173","","","Cancrinite","- C0.5 H6 Al3 Ca0.04 K0.15 Na3.58 O14.25 Si3 -","- C0.5 H1.5 Al3 Ca0.04 K0.15 Na3.58 O14.25 Si3 -","- C H3 Al6 Ca0.08 K0.3 Na7.16 O28.5 Si6 -","2","0.333333","","Rozenberg, K. A.; Rastsvetaeva, R. K.; Chukanov, N. V.","Crystal structures of oxalate-bearing cancrinite with an unusual arrangement of CO3 groups and sulfate-rich davyne Locality: Kovdor massif, Kola Peninsula, Russia Note: Bruker SMART CCD diffractometer","Crystallography Reports","2009","54","","793","799","10.1134/S1063774509050101","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9013989","12.773","","12.773","","5.334","","90","","90","","120","","753.65","","","","","","","","","","","","Sar-e Sang mine, Badakhshan, Afghanistan","8","P 63","P 6c","173","","","Davyne","- Al3 Ca Cl K0.39 Na2.61 O14 S0.5 Si3 -","- Al3 Ca Cl K0.39 Na2.61 O14 S0.5 Si3 -","- Al6 Ca2 Cl2 K0.78 Na5.22 O28 S Si6 -","2","0.333333","","Rozenberg, K. A.; Rastsvetaeva, R. K.; Chukanov, N. V.","Crystal structures of oxalate-bearing cancrinite with an unusual arrangement of CO3 groups and sulfate-rich davyne","Crystallography Reports","2009","54","","793","799","10.1134/S1063774509050101","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9013990","5.7551","","14.752","","15.906","","90","","96.046","","90","","1342.9","","","","","","","","","","","","Kola Peninsula, Russia","6","P 1 21/n 1","-P 2yn","14","","","Vyuntspakhkite-(Y)","- Al2 H5 O18 Si3.882 Tm0.935 Y2.115 -","- Al2 H5 O18 Si3.882 Tm0.935 Y2.115 -","- Al8 H20 O72 Si15.528 Tm3.74 Y8.46 -","4","1","","Yakbovich, O. V.; Steele, I. M.","The crystal structure of vyuntspakhite: a redetermination","Crystallography Reports","2009","54","","822","830","10.1134/S1063774509050137","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""