# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-10-06T06:25:02+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 = 173 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
"8104343","9.101","","17.741","","10.226","","90","","124.66","","90","","1358.1","","","","","","","","","","","","","6","C 1 2 1","C 2y","5","","Na0.95 Ca2.85 (Al6 Si18 O48) (H2 O)16","","- Al6 Ca2.85 H32 Na0.95 O64 Si18 -","- Al6 Ca2.85 Na0.95 O64 Si18 -","- Al6 Ca2.85 Na0.95 O64 Si18 -","1","0.25","","Alberti, A.; Galli, E.; Vezzalini, G.","Epistilbite: an acentric zeolite with domain structure","Zeitschrift fuer Kristallographie (149,1979-)","1985","173","","257","265","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104449","5.3774","","10.17","","7.315","","90","","94.79","","90","","398.647","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Mn (H2 P O4)2 (H2 O)2","","- H8 Mn O10 P2 -","- H8 Mn O10 P2 -","- H16 Mn2 O20 P4 -","2","0.5","","Vasic, P.; Prelesnik, B.; Curic, M.; Herak, R.","The crystal structure of Mn (H2 P O4)2 (H2 O)2","Zeitschrift fuer Kristallographie (149,1979-)","1985","173","","193","198","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104518","5.7095","","5.7095","","11.449","","90","","90","","90","","373.219","","","","","","","","","","","","","3","I -4 2 m","I -4 2","121","","Zn In2 Se4","","- In2 Se4 Zn -","- In2.0001 Se4 Zn0.9999 -","- In4.0002 Se8 Zn1.9998 -","2","0.125","","Trah, H.P.; Kraemer, V.","Crystal structure of zinc indium selenide, Zn In2 Se4","Zeitschrift fuer Kristallographie (149,1979-)","1985","173","","199","203","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9008367","8.3965","","12.479","","8.1549","","90","","101.917","","90","","836.054","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","Jurbanite","- Al2 H22 O20 S2 -","- Al2 H22 O20 S2 -","- Al4 H44 O40 S4 -","2","0.5","","Sabelli, C.","Refinement of the crystal structure of jurbanite, Al(SO4)(OH)*5H2O Locality: Cetine mine, Tuscany, Italy","Zeitschrift fur Kristallographie","1985","173","","33","39","10.1524/zkri.1985.173.1-2.33","","","","","","","","","","","","","","","","","","","","","has coordinates","294028","2024-08-07","12:07:33",""
"9008368","3.796","","3.796","","16.382","","90","","90","","120","","204.433","","","","","","","","100000","","","","Kosaka mine, Akita Prefecture, Japan","2","P 63/m m c","-P 6c 2c","194","","","Covellite","- Cu S -","- Cu S -","- Cu6 S6 -","6","0.25","","Takeuchi, Y.; Kudoh, Y.; Sato, G.","The crystal structure of covellite CuS under high pressure up to 33 kbar Sample: P = 1 kbar","Zeitschrift fur Kristallographie","1985","173","","119","128","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:58",""
"9008369","3.768","","3.768","","16.27","","90","","90","","120","","200.051","","","","","","","","1200000","","","","Kosaka mine, Akita Prefecture, Japan","2","P 63/m m c","-P 6c 2c","194","","","Covellite","- Cu S -","- Cu S -","- Cu6 S6 -","6","0.25","","Takeuchi, Y.; Kudoh, Y.; Sato, G.","The crystal structure of covellite CuS under high pressure up to 33 kbar Sample: P = 12 kbar","Zeitschrift fur Kristallographie","1985","173","","119","128","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:58",""
"9008370","3.76","","3.76","","16.2","","90","","90","","120","","198.345","","","","","","","","1800000","","","","Kosaka mine, Akita Prefecture, Japan","2","P 63/m m c","-P 6c 2c","194","","","Covellite","- Cu S -","- Cu S -","- Cu6 S6 -","6","0.25","","Takeuchi, Y.; Kudoh, Y.; Sato, G.","The crystal structure of covellite CuS under high pressure up to 33 kbar Sample: P = 18 kbar","Zeitschrift fur Kristallographie","1985","173","","119","128","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:58",""
"9008371","3.757","","3.757","","16.19","","90","","90","","120","","197.906","","","","","","","","2100000","","","","Kosaka mine, Akita Prefecture, Japan","2","P 63/m m c","-P 6c 2c","194","","","Covellite","- Cu S -","- Cu S -","- Cu6 S6 -","6","0.25","","Takeuchi, Y.; Kudoh, Y.; Sato, G.","The crystal structure of covellite CuS under high pressure up to 33 kbar Sample: P = 21 kbar","Zeitschrift fur Kristallographie","1985","173","","119","128","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008372","3.729","","3.729","","16.11","","90","","90","","120","","194.004","","","","","","","","3300000","","","","Kosaka mine, Akita Prefecture, Japan","2","P 63/m m c","-P 6c 2c","194","","","Covellite","- Cu S -","- Cu S -","- Cu6 S6 -","6","0.25","","Takeuchi, Y.; Kudoh, Y.; Sato, G.","The crystal structure of covellite CuS under high pressure up to 33 kbar Sample: P = 33 kbar","Zeitschrift fur Kristallographie","1985","173","","119","128","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008373","8.261","","8.261","","8.261","","90","","90","","90","","563.765","","","","","","","","1400000","","","","Schwarzenberg, Saxony","5","P -4 3 n","P -4n 2 3","218","","","Helvine","- Be3 Mn4 O12 S Si3 -","- Be3 Mn4 O12 S Si3 -","- Be6 Mn8 O24 S2 Si6 -","2","0.0833333","","Kudoh, Y.; Takeuchi, Y.","The effect of pressure on helvite Mn8S2[Be6Si6O24] Sample: P = 14 kbar","Zeitschrift fur Kristallographie","1985","173","","305","312","10.1524/zkri.1985.173.3-4.305","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008374","8.223","","8.223","","8.223","","90","","90","","90","","556.021","","","","","","","","2700000","","","","Schwarzenberg, Saxony","5","P -4 3 n","P -4n 2 3","218","","","Helvine","- Be3 Mn4 O12 S Si3 -","- Be3 Mn4 O12 S Si3 -","- Be6 Mn8 O24 S2 Si6 -","2","0.0833333","","Kudoh, Y.; Takeuchi, Y.","The effect of pressure on helvite Mn8S2[Be6Si6O24] Sample: P = 27 kbar","Zeitschrift fur Kristallographie","1985","173","","305","312","10.1524/zkri.1985.173.3-4.305","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008375","8.214","","8.214","","8.214","","90","","90","","90","","554.197","","","","","","","","3600000","","","","Schwarzenberg, Saxony","5","P -4 3 n","P -4n 2 3","218","","","Helvine","- Be3 Mn4 O12 S Si3 -","- Be3 Mn4 O12 S Si3 -","- Be6 Mn8 O24 S2 Si6 -","2","0.0833333","","Kudoh, Y.; Takeuchi, Y.","The effect of pressure on helvite Mn8S2[Be6Si6O24] Sample: P = 36 kbar","Zeitschrift fur Kristallographie","1985","173","","305","312","10.1524/zkri.1985.173.3-4.305","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008376","8.203","","8.203","","8.203","","90","","90","","90","","551.973","","","","","","","","4000000","","","","Schwarzenberg, Saxony","5","P -4 3 n","P -4n 2 3","218","","","Helvine","- Be3 Mn4 O12 S Si3 -","- Be3 Mn4 O12 S Si3 -","- Be6 Mn8 O24 S2 Si6 -","2","0.0833333","","Kudoh, Y.; Takeuchi, Y.","The effect of pressure on helvite Mn8S2[Be6Si6O24] Sample: P = 40 kbar","Zeitschrift fur Kristallographie","1985","173","","305","312","10.1524/zkri.1985.173.3-4.305","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008377","8.19","","8.19","","8.19","","90","","90","","90","","549.353","","","","","","","","4500000","","","","Schwarzenberg, Saxony","5","P -4 3 n","P -4n 2 3","218","","","Helvine","- Be3 Mn4 O12 S Si3 -","- Be3 Mn4 O12 S Si3 -","- Be6 Mn8 O24 S2 Si6 -","2","0.0833333","","Kudoh, Y.; Takeuchi, Y.","The effect of pressure on helvite Mn8S2[Be6Si6O24] Sample: P = 45 kbar","Zeitschrift fur Kristallographie","1985","173","","305","312","10.1524/zkri.1985.173.3-4.305","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9011471","12.0774","","9.9037","","4.2835","","90","","90.458","","90","","512.337","","","","","","","","","","","","Synthetic","2","P 1 21/n 1","-P 2yn","14","","","Laphamite","- As2 Se3 -","- As2 Se3 -","- As8 Se12 -","4","1","","Stergiou, A. C.; Rentzeperis, P. J.","The crystal structure of arsenic selenide, As2Se3","Zeitschrift fur Kristallographie","1985","173","","185","191","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011472","8.037","","8.757","","7.7218","","90","","90","","90","","543.46","","","","298.15","","","","","","","","Toroku mine, Miyazaki Prefecture, Japan","4","P n a m","-P 2c 2n","62","","","Danburite","- B2 Ca O8 Si2 -","- B2 Ca O8 Si2 -","- B8 Ca4 O32 Si8 -","4","0.5","","Sugiyama, K.; Takeuchi, Y.","Unusual thermal expansion of a B-O bond in the structure of danburite CaB2Si2O8 Locality: Toroku mine, Miyazaki Prefecture, Japan Note: AnisoB's from ICSD Sample: T = 25 C","Zeitschrift fur Kristallographie","1985","173","","293","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011473","8.046","","8.765","","7.734","","90","","90","","90","","545.426","","","","481.15","","","","","","","","Toroku mine, Miyazaki Prefecture, Japan","4","P n a m","-P 2c 2n","62","","","Danburite","- B2 Ca O8 Si2 -","- B2 Ca O8 Si2 -","- B8 Ca4 O32 Si8 -","4","0.5","","Sugiyama, K.; Takeuchi, Y.","Unusual thermal expansion of a B-O-bond in the structure of danburite CaB2Si2O8 Locality: Toroku mine, Miyazaki Prefecture, Japan Note: AnisoB's from ICSD Sample: T = 208 C","Zeitschrift fur Kristallographie","1985","173","","293","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011474","8.061","","8.777","","7.745","","90","","90","","90","","547.97","","","","680.15","","","","","","","","Toroku mine, Miyazaki Prefecture, Japan","4","P n a m","-P 2c 2n","62","","","Danburite","- B2 Ca O8 Si2 -","- B2 Ca O8 Si2 -","- B8 Ca4 O32 Si8 -","4","0.5","","Sugiyama, K.; Takeuchi, Y.","Unusual thermal expansion of a B-O-bond in the structure of danburite CaB2Si2O8 Locality: Toroku mine, Miyazaki Prefecture, Japan Note: AnisoB's from ICSD Sample: T = 407 C","Zeitschrift fur Kristallographie","1985","173","","293","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011475","8.078","","8.786","","7.762","","90","","90","","90","","550.895","","","","891.15","","","","","","","","Toroku mine, Miyazaki Prefecture, Japan","4","P n a m","-P 2c 2n","62","","","Danburite","- B2 Ca O8 Si2 -","- B2 Ca O8 Si2 -","- B8 Ca4 O32 Si8 -","4","0.5","","Sugiyama, K.; Takeuchi, Y.","Unusual thermal expansion of a B-O-bond in the structure of danburite CaB2Si2O8 Locality: Toroku mine, Miyazaki Prefecture, Japan Note: AnisoB's from ICSD Sample: T = 618 C","Zeitschrift fur Kristallographie","1985","173","","293","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011476","8.092","","8.796","","7.7768","","90","","90","","90","","553.531","","","","1090.15","","","","","","","","Toroku mine, Miyazaki Prefecture, Japan","4","P n a m","-P 2c 2n","62","","","Danburite","- B2 Ca O8 Si2 -","- B2 Ca O8 Si2 -","- B8 Ca4 O32 Si8 -","4","0.5","","Sugiyama, K.; Takeuchi, Y.","Unusual thermal expansion of a B-O-bond in the structure of danburite CaB2Si2O8 Locality: Toroku mine, Miyazaki Prefecture, Japan Note: AnisoB's from ICSD Note: x(B) corrected to match reported bond lengths Sample: T = 817 C","Zeitschrift fur Kristallographie","1985","173","","293","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011477","8.101","","8.801","","7.786","","90","","90","","90","","555.118","","","","1183.15","","","","","","","","Toroku mine, Miyazaki Prefecture, Japan","4","P n a m","-P 2c 2n","62","","","Danburite","- B2 Ca O8 Si2 -","- B2 Ca O8 Si2 -","- B8 Ca4 O32 Si8 -","4","0.5","","Sugiyama, K.; Takeuchi, Y.","Unusual thermal expansion of a B-O-bond in the structure of danburite CaB2Si2O8 Locality: Toroku mine, Miyazaki Prefecture, Japan Note: AnisoB's from ICSD Sample: T = 910 C","Zeitschrift fur Kristallographie","1985","173","","293","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""