# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T13:38:20+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 = 177 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
"8103405","11.299","","11.299","","8.759","","90","","90","","120","","968.423","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Ag3 (As Se3)","","- Ag3 As Se3 -","- Ag3 As Se3 -","- Ag18 As6 Se18 -","6","0.333333","","Matsumoto, T.; Kihara, K.","Refinement of Ag3 As Se3 based on high-order thermal-motion tensors","Zeitschrift fuer Kristallographie (149,1979-)","1986","177","","211","217","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103499","13.0969","0.0016","5.2799","0.0006","13.2281","0.0016","90","","120.334","0.008","90","","789.5","0.18","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Niobium Oxide Phosphate(V) - Beta","","- Nb O5 P -","- Nb O5 P -","- Nb8 O40 P8 -","8","2","","Leclaire, A.; Chahboun, H.; Groult, D.; Raveau, B.","The crystal structure of β-NbPO~5~","Zeitschrift für Kristallographie","1986","177","","277","286","10.1524/zkri.1986.177.3-4.277","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104534","8.73","0.011","5","0.006","8.201","0.006","90","","90","","90","","358","0.7","","","443","","","","","","","","","2","C 2 2 21","C 2c 2","20","tridymite","","tridymite OC at 443 K","- O2 Si -","- O2 Si -","- O16 Si8 -","8","1","","Kihara, K.; Matsumoto, T.; Imamura, M.","Structural change of orthorhombic-I tridymite with temperature: A study based on second-order thermal-vibrational parameters : structure at 443 K","Zeitschrift fur Kristallographie","1986","177","","27","38","10.1524/zkri.1986.177.1-2.27","","","","","","","","","","","","","","","","","","","","","has coordinates","282075","2023-03-27","13:24:53",""
"8104535","8.764","0.014","5.039","0.006","8.235","0.007","90","","90","","90","","363.7","0.8","","","573","","","","","","","","","2","C 2 2 21","C 2c 2","20","tridymite","","tridymite OC at 573 K","- O2 Si -","- O2 Si -","- O16 Si8 -","8","1","","Kihara, K.; Matsumoto, T.; Imamura, M.","Structural change of orthorhombic-I tridymite with temperature: A study based on second-order thermal-vibrational parameters : structure at 573 K","Zeitschrift fur Kristallographie","1986","177","","27","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","211248","2020-10-21","18:00:00",""
"8104536","8.756","0.008","5.024","0.003","8.213","0.004","90","","90","","90","","361.3","0.4","","","493","","","","","","","","","2","C 2 2 21","C 2c 2","20","tridymite","","tridymite OC at 493 K","- O2 Si -","- O2 Si -","- O16 Si8 -","8","1","","Kihara, K.; Matsumoto, T.; Imamura, M.","Structural change of orthorhombic-I tridymite with temperature: A study based on second-order thermal-vibrational parameters : structure at 493 K","Zeitschrift fur Kristallographie","1986","177","","27","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","211249","2020-10-21","18:00:00",""
"8104537","8.743","0.007","5.046","0.004","8.254","0.005","90","","90","","90","","364.1","0.5","","","653","","","","","","","","","2","C 2 2 21","C 2c 2","20","tridymite","","tridymite OC at 653 K","- O2 Si -","- O2 Si -","- O16 Si8 -","8","1","","Kihara, K.; Matsumoto, T.; Imamura, M.","Structural change of orthorhombic-I tridymite with temperature: A study based on second-order thermal-vibrational parameters : structure at 653 K","Zeitschrift fur Kristallographie","1986","177","","27","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","211250","2020-10-21","18:00:00",""
"8104538","8.742","0.008","5.047","0.004","8.262","0.005","90","","90","","90","","364.5","0.5","","","693","","","","","","","","","2","C 2 2 21","C 2c 2","20","tridymite","","tridymite OC at 693 K","- O2 Si -","- O2 Si -","- O16 Si8 -","8","1","","Kihara, K.; Matsumoto, T.; Imamura, M.","Structural change of orthorhombic-I tridymite with temperature: A study based on second-order thermal-vibrational parameters : structure at 693 K","Zeitschrift fur Kristallographie","1986","177","","27","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","211251","2020-10-21","18:00:00",""
"8104539","5.052","0.009","5.052","0.009","8.27","0.02","90","","90","","120","","182.8","0.6","","","693","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","tridymite","","Tridymite","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.166667","","Kihara, K.; Matsumoto, T.; Imamura, M.","Structural change of orthorhombic-I tridymite with temperature: A study based on second-order thermal-vibrational parameters : HP structure at 693 K","Zeitschrift fur Kristallographie","1986","177","","27","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","287741","2023-11-22","19:43:54",""
"8104540","5.052","0.009","5.052","0.009","8.27","0.02","90","","90","","120","","182.8","0.6","","","773","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","tridymite","","tridymite HP at 773 K","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.166667","","Kihara, K.; Matsumoto, T.; Imamura, M.","Structural change of orthorhombic-I tridymite with temperature: A study based on second-order thermal-vibrational parameters : HP structure at 773 K","Zeitschrift fur Kristallographie","1986","177","","27","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","211273","2020-10-21","18:00:00",""
"9011481","9.656","","12.859","","12.069","","90","","108.49","","90","","1421.21","","","","","","","","","","","","Synthetic","4","P 1 21/c 1","-P 2ybc","14","","","Hydroxylwagnerite","- H Mg2 O5 P -","- H Mg2 O5 P -","- H16 Mg32 O80 P16 -","16","4","","Raade, G.; Romming, C.","The crystal structure of beta-Mg2PO4OH, a synthetic hydroxyl analogue of wagnerite","Zeitschrift fur Kristallographie","1986","177","","15","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011483","9.793","","13.636","","13.83","","90","","90","","90","","1846.82","","","","","","","","","","","","Harstigen mine, Sweden","6","P n a m","-P 2c 2n","62","","","Harstigite","- Be4 Ca6 H2 Mn O24 Si6 -","- Be4 Ca6 H2 Mn O24 Si6 -","- Be16 Ca24 H8 Mn4 O96 Si24 -","4","0.5","","Hesse, K. F.; Stumpel, G.","Crystal structure of harstigite, MnCa6Be4[SiO4]2[Si2O7]2(OH)2","Zeitschrift fur Kristallographie","1986","177","","143","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011484","6.951","","19.947","","9.896","","90","","135.17","","90","","967.336","","","","","","","","","","","","Ranger I Mine, Northern Territory, Australia","5","P 1 21/c 1","-P 2ybc","14","","","Saleeite","- H20 Mg O22 P2 U2 -","- H20 Mg O22 P2 U2 -","- H40 Mg2 O44 P4 U4 -","2","0.5","","Miller, S. A.; Taylor, J. C.","The crystal structure of saleeite, Mg[UO2PO4]2*10H2O","Zeitschrift fur Kristallographie","1986","177","","247","253","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9017371","8.74","","5.04","","8.24","","90","","90","","90","","362.969","","","","733","","","","","","","","synthetic refractory silica brick","2","C 2 2 21 (a,b,c+1/4)","C 2c 2 (x,y,z-1/4)","20","","","Tridymite","- O2 Si -","- O16 Si8 -","- O16 Si8 -","","","","Kihara, K.; Matsumoto, T.; Imamura, M.","Structural change of orthorhombic-I tridymite with temperature: A study based on second-order thermal-vibrational parameters Note: Dollase's model, T = 733 K","Zeitschrift fur Kristallographie","1986","177","","27","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:57",""
"9017372","5.052","","5.052","","8.27","","90","","90","","120","","182.794","","","","733","","","","","","","","synthetic refractory silica brick","2","P 63/m m c","-P 6c 2c","194","","","Tridymite","- O2 Si -","- O8 Si4 -","- O8 Si4 -","","","","Kihara, K.; Matsumoto, T.; Imamura, M.","Structural change of orthorhombic-I tridymite with temperature: A study based on second-order thermal-vibrational parameters Note: hexagonal Gibbs model, T = 733 K","Zeitschrift fur Kristallographie","1986","177","","27","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:58",""