# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-30T15:45:56+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 'Zeitschrift fur Kristallographie') AND volume = 138 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
"9008222","8.5496","","8.5496","","12.091","","90","","90","","90","","883.8","","","","","","","","","","","","Solvayshall, Roschwitz, Germany","4","P c a 21","P 2c -2ac","29","","","Boracite","- B7 Cl Mg3 O13 -","- B7 Cl Mg3 O13 -","- B28 Cl4 Mg12 O52 -","4","1","","Dowty, E.; Clark, J. R.","Crystal-structure refinements for orthorhombic boracite, Mg3B7O13Cl, and a trigonal, iron-rich analogue Note: [.25 .25 0] added to all atoms to move origin to screw axis","Zeitschrift fur Kristallographie","1973","138","","64","99","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008223","8.612","","8.612","","21.065","","90","","90","","120","","1353.01","","","","","","","","","","","","Bischofferode, Thuringen, Germany","5","R 3 c :H","R 3 -2""c","161","","","Congolite","- B7 Cl Fe2.4 Mg0.6 O13 -","- B7 Cl Fe2.4 Mg0.6 O13 -","- B42 Cl6 Fe14.4 Mg3.6 O78 -","6","0.333333","","Dowty, E.; Clark, J. R.","Crystal-structure refinements for orthorhombic boracite, Mg3B7O13Cl, and a trigonal, iron-rich analogue","Zeitschrift fur Kristallographie","1973","138","","64","99","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008224","4.979","","4.979","","6.95","","90","","90","","90","","172.294","","","","301.15","","","","","","","","Ellora Caves, Hyderabad State, India","2","P 41 21 2","P 4abw 2nw","92","","","Cristobalite","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Peacor, D. R.","High-temperature single-crystal study of the cristobalite inversion Note: Cell has been corrected Sample: T = 28 C","Zeitschrift fur Kristallographie","1973","138","","274","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008225","4.982","","4.982","","6.963","","90","","90","","90","","172.824","","","","338.15","","","","","","","","Ellora Caves, Hyderabad State, India","2","P 41 21 2","P 4abw 2nw","92","","","Cristobalite","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Peacor, D. R.","High-temperature single-crystal study of the cristobalite inversion Note: Cell has been corrected Sample: T = 65 C","Zeitschrift fur Kristallographie","1973","138","","274","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008226","4.986","","4.986","","6.977","","90","","90","","90","","173.45","","","","376.15","","","","","","","","Ellora Caves, Hyderabad State, India","2","P 41 21 2","P 4abw 2nw","92","","","Cristobalite","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Peacor, D. R.","High-temperature single-crystal study of the cristobalite inversion Note: Cell has been corrected Sample: T = 103 C","Zeitschrift fur Kristallographie","1973","138","","274","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008227","4.989","","4.989","","6.991","","90","","90","","90","","174.007","","","","415.15","","","","","","","","Ellora Caves, Hyderabad State, India","2","P 41 21 2","P 4abw 2nw","92","","","Cristobalite","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Peacor, D. R.","High-temperature single-crystal study of the cristobalite inversion Note: Cell has been corrected Sample: T = 142 C","Zeitschrift fur Kristallographie","1973","138","","274","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008228","4.993","","4.993","","7.005","","90","","90","","90","","174.635","","","","452.15","","","","","","","","Ellora Caves, Hyderabad State, India","2","P 41 21 2","P 4abw 2nw","92","","","Cristobalite","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Peacor, D. R.","High-temperature single-crystal study of the cristobalite inversion Note: Cell has been corrected Sample: T = 179 C","Zeitschrift fur Kristallographie","1973","138","","274","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008229","4.996","","4.996","","7.016","","90","","90","","90","","175.119","","","","483.15","","","","","","","","Ellora Caves, Hyderabad State, India","2","P 41 21 2","P 4abw 2nw","92","","","Cristobalite","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Peacor, D. R.","High-temperature single-crystal study of the cristobalite inversion Note: Cell has been corrected Sample: T = 210 C","Zeitschrift fur Kristallographie","1973","138","","274","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008230","7.166","","7.166","","7.166","","90","","90","","90","","367.985","","","","494.15","","","","","","","","Ellora Caves, Hyderabad State, India","2","F d -3 m :2","-F 4vw 2vw 3","227","","","Cristobalite","- O2 Si -","- O4.00008 Si2 -","- O16.0003 Si8 -","4","0.0208333","","Peacor D P","High-temperature single-crystal study of the cristobalite inversion Sample: T = 221 C","Zeitschrift fur Kristallographie","1973","138","","274","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008231","7.166","","7.166","","7.166","","90","","90","","90","","367.985","","","","494.15","","","","","","","","Ellora Caves, Hyderabad State, India","2","F d -3 m :2","-F 4vw 2vw 3","227","","","Cristobalite","- O2 Si -","- O4 Si2 -","- O16 Si8 -","4","0.0208333","","Peacor D P","High-temperature single-crystal study of the cristobalite inversion Sample: T = 221 C","Zeitschrift fur Kristallographie","1973","138","","274","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008232","7.166","","7.166","","7.166","","90","","90","","90","","367.985","","","","521.15","","","","","","","","Ellora Caves, Hyderabad State, India","2","F d -3 m :2","-F 4vw 2vw 3","227","","","Cristobalite","- O2 Si -","- O4.00008 Si2 -","- O16.0003 Si8 -","4","0.0208333","","Peacor, D. R.","High-temperature single-crystal study of the cristobalite inversion Sample: T = 248 C","Zeitschrift fur Kristallographie","1973","138","","274","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008233","7.166","","7.166","","7.166","","90","","90","","90","","367.985","","","","546.15","","","","","","","","Ellora Caves, Hyderabad State, India","2","F d -3 m :2","-F 4vw 2vw 3","227","","","Cristobalite","- O2 Si -","- O4.00008 Si2 -","- O16.0003 Si8 -","4","0.0208333","","Peacor, D. R.","High-temperature single-crystal study of the cristobalite inversion Sample: T = 273 C","Zeitschrift fur Kristallographie","1973","138","","274","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008234","7.166","","7.166","","7.166","","90","","90","","90","","367.985","","","","583.15","","","","","","","","Ellora Caves, Hyderabad State, India","2","F d -3 m :2","-F 4vw 2vw 3","227","","","Cristobalite","- O2 Si -","- O4.00008 Si2 -","- O16.0003 Si8 -","4","0.0208333","","Peacor, D. R.","High-temperature single-crystal study of the cristobalite inversion Sample: T = 310 C","Zeitschrift fur Kristallographie","1973","138","","274","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008235","7.683","","6.889","","6.747","","90.53","","94.12","","102.75","","347.285","","","","","","","","","","","","Tanohata mine, Japan","5","P -1","-P 1","2","","","Serandite","- H Mn2 Na O9 Si3 -","- H Mn2 Na O9 Si3 -","- H2 Mn4 Na2 O18 Si6 -","2","1","","Takeuchi, Y.; Kudoh, Y.; Haga, N.","The interpretation of partial Patterson functions and its application to structure analyses of serandite Mn2NaHSi3O9 and banalsite BaNa2Al4Si4O16","Zeitschrift fur Kristallographie","1973","138","","313","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:22",""
"9008236","8.496","","9.983","","16.755","","90","","90","","90","","1421.08","","","","","","","","","","","","","5","I b a m","-I 2 2c","72","","","Banalsite","- Al4 Ba Na2 O16 Si4 -","- Al4 Ba Na2 O16 Si4 -","- Al16 Ba4 Na8 O64 Si16 -","4","0.25","","Takeuchi, Y.; Kudoh, Y.; Haga, N.","The interpretation of partial Patterson functions and its application to structure analyses of serandite Mn2NaHSi3O9 and banalsite BaNa2Al4Si4O16","Zeitschrift fur Kristallographie","1973","138","","313","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9011426","12.28","","11.3","","6.1","","90","","104.5","","90","","819.499","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","Lorandite","- As S2 Tl -","- As S2 Tl -","- As8 S16 Tl8 -","8","2","","Fleet, M. E.","The crystal structure and bonding of lorandite, Tl2As2S4","Zeitschrift fur Kristallographie","1973","138","","147","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9015097","14.387","","21.011","","4.046","","90","","90","","90","","1223.05","","","","","","","","","","","","Alice Arm, British Columbia, Canada","4","P b m n","-P 2ab 2ab","53","","","Nuffieldite","- Bi2.5 Cu Pb2.5 S7 -","- Bi2.5 Cu Pb2.5 S7 -","- Bi20 Cu8 Pb20 S56 -","8","1","","Kohatsu, I.; Wuensch, B. J.","The crystal structure of nuffieldite, Pb2Cu(Pb,Bi)Bi2S7","Zeitschrift fur Kristallographie","1973","138","","343","365","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""