# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-07-27T17:12:27+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 = 136 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
"9008209","7.879","","16.635","","5.664","","90","","90","","90","","742.364","","","","","","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","Staurolite","- Al4.374 Fe0.741 H2 Mg0.196 Mn0.019 O12 Si1.856 Ti0.037 -","- Al4.3735 Fe0.741 H2 Mg0.196 Mn0.019 O12 Si1.856 Ti0.037 -","- Al17.494 Fe2.964 H8 Mg0.784 Mn0.076 O48 Si7.424 Ti0.148 -","4","0.5","","Takeuchi, Y.; Aikawa, N.; Yamamoto, T.","The hydrogen locations and chemical composition of staurolite Note: this paper uses Smith's structure (Am Min 53 (1968) 1139-1155) and adds the hydrogen locations to it","Zeitschrift fur Kristallographie","1972","136","","1","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9008210","9.325","","13.571","","6.587","","90","","106.38","","90","","799.749","","","","","","","","","","","","Lengenbach quarry, Binnatal, Switzerland","2","P 1 21/n 1","-P 2yn","14","","","Realgar","- As S -","- As S -","- As16 S16 -","16","4","","Mullen, D. J. E.; Nowacki, W.","Refinement of the crystal structures of realgar, AsS and orpiment, As2S3","Zeitschrift fur Kristallographie","1972","136","","48","65","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008211","11.475","","9.577","","4.256","","90","","90.68","","90","","467.685","","","","","","","","","","","","Lengenbach quarry, Binnatal, Switzerland","2","P 1 21/n 1","-P 2yn","14","","","Orpiment","- As2 S3 -","- As2 S3 -","- As8 S12 -","4","1","","Mullen, D. J. E.; Nowacki, W.","Refinement of the crystal structures of realgar, AsS and orpiment, As2S3","Zeitschrift fur Kristallographie","1972","136","","48","65","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008212","18.701","","18.701","","7.501","","90","","90","","120","","2271.85","","","","","","","","","","","","Synthetic","6","P 6/m m m","-P 6 2","191","Zeolite (K,Ba)-G,L","","Zeolite (K,Ba)-G,L","- Al18 Ba6.68 H60.144 K2.19 O111.6 Si18 -","- Al18 Ba6.68 H55.2 K2.19 O99.6 Si18 -","- Al18 Ba6.68 H55.2 K2.19 O99.6 Si18 -","1","0.0416667","","Baerlocher, C.; Barrer, R. M.","The structure of the synthetic zeolite (K,Ba)-G,L","Zeitschrift fur Kristallographie","1972","136","","245","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9008213","3.7842","","3.7842","","9.5146","","90","","90","","90","","136.251","","","","298.15","","","","","","","","Lengenbach quarry, Binnatal, Switzerland","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","","Anatase","- O2 Ti -","- O2 Ti -","- O8 Ti4 -","4","0.125","","Horn, M.; Schwerdtfeger, C. F.; Meagher, E. P.","Refinement of the structure of anatase at several temperatures Sample: T = 25 C","Zeitschrift fur Kristallographie","1972","136","","273","281","10.1524/zkri.1972.136.3-4.273","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008215","3.7971","","3.7971","","9.579","","90","","90","","90","","138.11","","","","873.15","","","","","","","","Lengenbach quarry, Binnatal, Switzerland","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","","Anatase","- O2 Ti -","- O2 Ti -","- O8 Ti4 -","4","0.125","","Horn, M.; Schwerdtfeger, C. F.; Meagher, E. P.","Refinement of the structure of anatase at several temperatures Sample: T = 600 C","Zeitschrift fur Kristallographie","1972","136","","273","281","10.1524/zkri.1972.136.3-4.273","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008216","3.804","","3.804","","9.614","","90","","90","","90","","139.119","","","","1073.15","","","","","","","","Lengenbach quarry, Binnatal, Switzerland","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","","Anatase","- O2 Ti -","- O2 Ti -","- O8 Ti4 -","4","0.125","","Horn, M.; Schwerdtfeger, C. F.; Meagher, E. P.","Refinement of the structure of anatase at several temperatures Sample: T = 800 C","Zeitschrift fur Kristallographie","1972","136","","273","281","10.1524/zkri.1972.136.3-4.273","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008217","12.253","","7.014","","7.161","","90","","90","","90","","615.435","","","","","","","","","","","","","4","B m a m","-B 2a 2","67","","","","- Ge2 H2 O10 P2 -","- Ge2 H2 O10 P2 -","- Ge8 H8 O40 P8 -","4","0.25","","Mayer, H.; Vollenkle, H.","Die kristallstruktur und fehlordnung von Ge(OH)PO4","Zeitschrift fur Kristallographie","1972","136","","387","401","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9008218","8.549","","13.028","","7.188","","90","","116.02","","90","","719.428","","","","","","","","","","","","Volkesfeld, Eifel","4","C 1 2/m 1","-C 2y","12","","","Sanidine","- Al K O8 Si3 -","- Al K O8 Si3 -","- Al4 K4 O32 Si12 -","4","0.5","","Weitz, G.","Die struktur des saninins bei verschiedenen ordnungsgraden Note: before heating","Zeitschrift fur Kristallographie","1972","136","","418","426","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9008219","8.546","","13.037","","7.178","","90","","115.97","","90","","718.977","","","","","","","","","","","","Volkesfeld, Eifel","4","C 1 2/m 1","-C 2y","12","","","Sanidine","- Al K O8 Si3 -","- Al K O8 Si3 -","- Al4 K4 O32 Si12 -","4","0.5","","Weitz, G.","Die struktur des saninins bei verschiedenen ordnungsgraden Note: after heating","Zeitschrift fur Kristallographie","1972","136","","418","426","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""