# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-09-08T09:54:11+02:00
# 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 'Zeitschrift fur Kristallographie') AND volume = 187 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
"1001415","12.999","0.003","12.999","0.003","12.999","0.003","90","","90","","90","","2196.5","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Mercury arsenide iodide (4/2/3)","","- As2 Hg4 I3 -","- As2 Hg4 I3 -","- As16 Hg32 I24 -","8","0.333333","","Labbe, P; Ledesert, M; Raveau, B; Rebbah, A","Crystal structure of Hg~4~ As~2~ I~3~","Zeitschrift fuer Kristallographie (149,1979-)","1989","187","","117","123","10.1524/zkri.1989.187.1-2.117","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8103461","5.161","","8.88","","9.911","","90","","91.29","","90","","454.103","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Li Mg (B O3)","","- B Li Mg O3 -","- B Li Mg O3 -","- B8 Li8 Mg8 O24 -","8","1","","Norrestam, R.","The crystal structure of monoclinic LiMgBO3","Zeitschrift fuer Kristallographie (149,1979-)","1989","187","","103","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8104291","5.067","","5.067","","11.258","","90","","90","","120","","250.319","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Al (As O4)","","- Al As O4 -","- Al As O4 -","- Al3 As3 O12 -","3","0.5","","Baumgartner, O.; Preisinger, A.; Behmer, M.","Die Kristallstruktur von Al As O4 bei 20 C, 500 C und 750 C","Zeitschrift fuer Kristallographie (149,1979-)","1989","187","","125","131","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104292","14.6566","","14.6566","","14.6566","","90","","90","","90","","3148.47","","","","","","","","","","","","","6","I -4 3 m","I -4 2 3","217","","Na6.2 Cs3.2 (Si36.4 Al11.6 O96) (D2 O)6.2","","- Al11.6 Cs3.2 D12.4 Na6.2 O102.2 Si36.4 -","- Al11.6016 Cs3.198 Na6.2 O102.192 Si36.3984 -","- Al11.6016 Cs3.198 Na6.2 O102.192 Si36.3984 -","1","0.0208333","","Baur, W.H.; Bieniok, A.; Shannon, R.D.; Prince, E.","Neutron powder diffraction study of a Na, Cs-Rho zeolite","Zeitschrift fuer Kristallographie (149,1979-)","1989","187","","253","266","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104302","14.427","","14.427","","7.741","","90","","90","","120","","1395.34","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Cu6 (Si6 O18)","","- Cu6 O18 Si6 -","- Cu6 O18 Si6 -","- Cu18 O54 Si18 -","3","0.166667","","Breuer, K.H.; Eysel, W.; Mueller, R.","Structural and chemical varieties of dioptase, Cu6 (Si6 O18) (H2 O)6 II. Stuctural properties","Zeitschrift fuer Kristallographie (149,1979-)","1989","187","","15","23","","","","","","","","","","","","","","","","","","","","","","has coordinates","168942","2020-10-21","18:00:00",""
"8104305","13.931","","13.931","","9.304","","90","","90","","120","","1563.74","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Li2 (Se O4)","","- Li2 O4 Se -","- Li2 O4 Se -","- Li36 O72 Se18 -","18","1","","Hartmann, P.","A uniform description of phenakite type structures as superstructures of beta-Si3 N4","Zeitschrift fuer Kristallographie (149,1979-)","1989","187","","139","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104306","13.768","","13.768","","9.192","","90","","90","","120","","1508.98","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Li Al Ge O4","","- Al Ge Li O4 -","- Al Ge Li O4 -","- Al18 Ge18 Li18 O72 -","18","1","","Hartmann, P.","A uniform description of phenakite type structures as superstructures of beta-Si3N4","Zeitschrift fuer Kristallographie (149,1979-)","1989","187","","139","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104307","13.936","","13.936","","9.296","","90","","90","","120","","1563.52","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Li Ga Ge O4","","- Ga Ge Li O4 -","- Ga Ge Li O4 -","- Ga18 Ge18 Li18 O72 -","18","1","","Hartmann, P.","A uniform description of phenakite type structures as superstructures of beta-Si3N4","Zeitschrift fuer Kristallographie (149,1979-)","1989","187","","139","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104308","13.155","","13.155","","8.706","","90","","90","","120","","1304.76","","","","","","","","","","","","","2","P 63","P 6c","173","","Si3 N4","","- N4 Si3 -","- N4 Si3 -","- N24 Si18 -","6","1","","Hartmann, P.","A uniform description of phenakite type structures as superstructures of beta-Si3N4","Zeitschrift fuer Kristallographie (149,1979-)","1989","187","","139","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","169220","2020-10-21","18:00:00",""
"8104309","6.026","","15.369","","4.259","","90","","110.71","","90","","368.953","","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","Pb Br2 (S C (N H2)2)","","- C H4 Br2 N2 Pb S -","- C Br2 N2 Pb S -","- C2 Br4 N4 Pb2 S2 -","2","1","","Herbstein, F.H.; Kapon, M.; Reisner, G.M.","Crystal chemistry of thiourea complexes of lead(II) salts. Crystal structure of mono(thiourea)lead(II) bromide (form I) Pb Br2 (S C (N H2)2 and of bis(thiourea)lead(II) bromide (form II) Pb Br2 (S C (N H2)2)2","Zeitschrift fuer Kristallographie (149,1979-)","1989","187","","25","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104310","10.583","","12.457","","4.088","","90","","95.61","","90","","536.35","","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","Pb Br2 (S C (N H2)2)2","","- C2 H8 Br2 N4 Pb S2 -","- C2 Br2 N4 Pb S2 -","- C4 Br4 N8 Pb2 S4 -","2","1","","Herbstein, F.H.; Kapon, M.; Reisner, G.M.","Crystal chemistry of thiourea complexes of lead(II) salts. Crystal structure of mono(thiourea)lead(II) bromide (form I) Pb Br2 (S C (N H2)2 and of bis(thiourea)lead(II) bromide (form II) Pb Br2 (S C (N H2)2)2","Zeitschrift fuer Kristallographie (149,1979-)","1989","187","","25","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104311","9.958","","9.958","","8.341","","90","","90","","120","","716.297","","","","","","","","","","","","","4","P 63","P 6c","173","","Na7.15 (Al7.2 Si8.8 O32)","","- Al7.2 Na7.15 O32 Si8.8 -","- Al7.2 Na7.152 O31.998 Si8.8 -","- Al7.2 Na7.152 O31.998 Si8.8 -","1","0.166667","","Hippler, B.; Boehm, H.","Structure investigation on sodium-nephelines","Zeitschrift fuer Kristallographie (149,1979-)","1989","187","","39","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","169262","2020-10-21","18:00:00",""
"8104338","9.2324","","12.2247","","2.9972","","90","","90","","90","","338.274","","","","","","","","","","","","","6","P b a m","-P 2 2ab","55","","Mg2.11 Al.31 Fe.53 Ti.05 B O5","","- Al0.31 B Fe0.53 Mg2.11 O5 Ti0.05 -","- Al0.308 B Fe0.5385 Mg2.103 O5 Ti0.05 -","- Al1.232 B4 Fe2.154 Mg8.412 O20 Ti0.2 -","4","0.5","","Norrestam, R.; Dahl, S.; Bovin, J.O.","The crystal structure of magnesium-aluminium Ludwigite, Mg2.11 Al.31 Fe.53 Ti.05 Sb.01 B O5, a combined single X-ray and HREM study","Zeitschrift fuer Kristallographie (149,1979-)","1989","187","","201","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9008394","10.238","","10.642","","8.77","","105.15","","96.5","","125.15","","710.794","","","","","","","","","","","","Wichita County, USA","6","P -1","-P 1","2","","","Krinovite","- Cr Fe0.1 Mg1.9 Na O10 Si3 -","- Cr Fe0.1 Mg1.9 Na O10 Si3 -","- Cr4 Fe0.4 Mg7.6 Na4 O40 Si12 -","4","2","","Bonaccorsi, E.; Merlino, S.; Pasero, M.","The crystal structure of the meteoritic mineral krinovite, NaNaMg2CrSi3O10","Zeitschrift fur Kristallographie","1989","187","","133","138","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008395","4.4795","","4.4795","","10.9054","","90","","90","","90","","218.827","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","Calomel","- Cl2 Hg2 -","- Cl2 Hg2 -","- Cl4 Hg4 -","2","0.0625","","Calos, N. J.; Kennard, C. H. L.; Davis, R. L.","The structure of calomel, Hg2Cl2, derived from neutron powder data","Zeitschrift fur Kristallographie","1989","187","","305","307","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""