# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T06:28:46+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 fuer Kristallographie (149,1979-)') AND volume = 214 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
"6000206","8.3115","0.0001","8.3115","0.0001","3.3858","0.0001","90","","90","","120","","233.88","","","","","","","","","","","","","4","P -6","P -6","174","","","","- C Li Na O3 -","- C Li Na O4 -","- C3 Li3 Na3 O12 -","3","0.5","","Zhukov, S. G.; Yatsenko, A. V.; Chernyshev, V. V.; D'yakov, V. A.; Le, Loux R; Schenk, H.","X-ray high temperature powder diffraction study and computer simulation of gamma-LiNaCO3","Zeitschrift für Kristallographie","1999","214","5","255","258","10.1524/zkri.1999.214.5.255","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","203338","2020-10-21","18:00:00",""
"6000207","4.8963","","9.9849","","6.8391","","90","","91.994","","90","","334.15","","","","","","","","","","","","","3","P 1 21/c 1","","","","","","- Na2 O3 Se -","","","","","","Helmholdt, R. B.; Sonneveld, E. J.; Schenk, H.","The crystal structure of sodium selenite Na2SeO3 from powder diffraction data","Zeitschrift für Kristallographie","1999","214","3","151","153","10.1524/zkri.1999.214.3.151","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000229","4.6357","","8.7735","","2.8334","","90","","90","","90","","115.24","","","","","","","","","","","","","3","P b m m","","","","","","- Cu O3 Si -","","","","","","Otto, H. H.; Meibohm, M.","Crystal structure of copper polysilicate, Cu[SiO3]","Zeitschrift für Kristallographie","1999","214","9","558","565","10.1524/zkri.1999.214.9.558","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000272","23.84","","5.925","","4.922","","90","","90","","90","","695.24","","","","","","","","","","","","","3","P b c n","","","","","","- Ni7 P5 Si2 -","","","","","","Oryshchyn, S. V.; Babizhets'ky, V. S.; Kuz'ma, Y. B.; Glowiak, T.","Preparation and crystal structure of the Ni7Si2P5 phosphide","Zeitschrift für Kristallographie","1999","214","6","337","340","10.1524/zkri.1999.214.6.337","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000306","10.3955","","3.503","","12.1157","","90","","90","","90","","441.2","","","","","","","","","","","","","3","P n m a","","","","","","- Ba O4 Y2 -","","","","","","Massarotti, V.; Capsoni, D.; Bini, M.; Altomare, A.; Moliterni, A. G. G.","X-ray diffraction study of polycrystalline Y2BaO4: a test of the new expo program","Zeitschrift für Kristallographie","1999","214","4","200","204","10.1524/zkri.1999.214.4.200","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000341","7.321","","7.321","","7.322","","90","","90","","120","","339.86","","","","","","","","","","","","","3","P -6 2 c","","","","","","- Ir Sn Zr -","","","","","","Zumdick, M. F.; Pottgen, R.","Determination of the superstructures for the stannides ZrIrSn, HfCoSn, and HfRhSn","Zeitschrift für Kristallographie","1999","214","2","90","97","10.1524/zkri.1999.214.2.90","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000342","7.131","","7.131","","7.054","","90","","90","","120","","310.65","","","","","","","","","","","","","3","P -6 2 c","","","","","","- Co Hf Sn -","","","","","","Zumdick, M. F.; Pottgen, R.","Determination of the superstructures for the stannides ZrIrSn, HfCoSn, and HfRhSn","Zeitschrift für Kristallographie","1999","214","2","90","97","10.1524/zkri.1999.214.2.90","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000343","7.32","","7.32","","7.148","","90","","90","","120","","331.69","","","","","","","","","","","","","3","P -6 2 c","","","","","","- Hf Rh Sn -","","","","","","Zumdick, M. F.; Pottgen, R.","Determination of the superstructures for the stannides ZrIrSn, HfCoSn, and HfRhSn","Zeitschrift für Kristallographie","1999","214","2","90","97","10.1524/zkri.1999.214.2.90","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000549","10.4097","","11.4187","","6.4964","","90","","90.992","","90","","772.08","","","","","","","","","","","","","3","P 1 21/n 1","","","","","","- C9 H14 O -","","","","","","Mora, A. J.; Fitch, A. N.","The low-temperature structures of bicyclo[3.3.1]nonan-9-one and 3-azabicyclo[3.2.2]nonane","Zeitschrift für Kristallographie","1999","214","8","480","485","10.1524/zkri.1999.214.8.480","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000550","21.1318","","11.2357","","6.0863","","90","","90","","90","","1445.07","","","","","","","","","","","","","3","A b a 2","","","","","","- C8 H15 N -","","","","","","Mora, A. J.; Fitch, A. N.","The low-temperature structures of bicyclo[3.3.1]nonan-9-one and 3-azabicyclo[3.2.2]nonane","Zeitschrift für Kristallographie","1999","214","8","480","485","10.1524/zkri.1999.214.8.480","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"8103429","4.397","","7.023","","7.572","","90","","90","","90","","233.824","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","Yb Au Si","","- Au Si Yb -","- Au Si Yb -","- Au4 Si4 Yb4 -","4","0.5","","Pani, M.; Fornasini, M.L.; Merlo, F.","New phases in the Yb - Au - Si and Ca - Au - Si systems","Zeitschrift fuer Kristallographie (149,1979-)","1999","214","","108","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103431","4.163","","4.163","","4.009","","90","","90","","120","","60.17","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Yb Au0.63 Si1.37","","- Au0.63 Si1.37 Yb -","- Au0.628 Si1.372 Yb -","- Au0.628 Si1.372 Yb -","1","0.0416667","","Merlo, F.; Pani, M.; Fornasini, M.L.","New phases in the Yb - Au - Si and Ca - Au - Si systems","Zeitschrift fuer Kristallographie (149,1979-)","1999","214","","108","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103432","4.454","","7.139","","7.667","","90","","90","","90","","243.788","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","Ca Au1.208 Si0.792","","- Au1.208 Ca Si0.792 -","- Au1.208 Ca Si0.792 -","- Au4.832 Ca4 Si3.168 -","4","0.5","","Fornasini, M.L.; Merlo, F.; Pani, M.","New phases in the Yb - Au - Si and Ca - Au - Si systems","Zeitschrift fuer Kristallographie (149,1979-)","1999","214","","108","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103433","4.431","","7.018","","7.631","","90","","90","","90","","237.299","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Yb Au1.254 Si0.746","","- Au1.254 Si0.746 Yb -","- Au1.254 Si0.746 Yb -","- Au5.016 Si2.984 Yb4 -","4","0.25","","Merlo, F.; Fornasini, M.L.; Pani, M.","New phases in the Yb - Au - Si and Ca - Au - Si systems","Zeitschrift fuer Kristallographie (149,1979-)","1999","214","","108","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103434","4.151","","4.151","","4.28","","90","","90","","120","","63.867","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Ca Au0.64 Si1.36","","- Au0.64 Ca Si1.36 -","- Au0.644 Ca Si1.356 -","- Au0.644 Ca Si1.356 -","1","0.0416667","","Pani, M.; Merlo, F.; Fornasini, M.L.","New phases in the Yb - Au - Si and Ca - Au - Si systems","Zeitschrift fuer Kristallographie (149,1979-)","1999","214","","108","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103437","4.182","","4.182","","3.962","","90","","90","","120","","60.009","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Yb Au0.88 Si1.12","","- Au0.88 Si1.12 Yb -","- Au0.884 Si1.116 Yb -","- Au0.884 Si1.116 Yb -","1","0.0416667","","Fornasini, M.L.; Merlo, F.; Pani, M.","New phases in the Yb - Au - Si and Ca - Au - Si systems","Zeitschrift fuer Kristallographie (149,1979-)","1999","214","","108","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103502","13.2088","","13.2088","","5.2771","","90","","90","","90","","920.708","","","","","","","","","","","","","5","I 4/m","-I 4","87","","(Al6.57 Mg0.94 H0.87 (P O4)7.5 (H2 O)2.17) ((C3 H7)2 N H)2.193","","- C13.16 Al6.5728 Mg0.9392 O32.168 P7.504 -","- C13.16 Al6.5728 Mg0.9392 O32.168 P7.504 -","- C13.16 Al6.5728 Mg0.9392 O32.168 P7.504 -","1","0.0625","","Baur, W.H.; Bieniok, A.; Joswig, W.; Kassner, D.; Finger, G.; Kornatowski, J.","The crystal structure of the microporous solid MAPO-39 (ATN) refined from single crystal diffraction data","Zeitschrift fuer Kristallographie (149,1979-)","1999","214","","154","159","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103503","7.615","","5.152","","10.741","","90","","109.29","","90","","397.738","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Na2 Mn F5","","- F5 Mn Na2 -","- F5 Mn Na2 -","- F20 Mn4 Na8 -","4","1","","Carlson, S.; Norrestam, R.; Xu, Y.","Single crystal X-ray diffraction studies of Na2 Mn F5 at high hydrostatic pressures","Zeitschrift fuer Kristallographie (149,1979-)","1999","214","","259","263","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103506","24.182","","8.1656","","36.362","","90","","91.21","","90","","7178.46","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Bi11 Se12 Cl9","","- Bi11 Cl9 Se12 -","- Bi11 Cl9 Se12 -","- Bi88 Cl72 Se96 -","8","1","","Eggenweiler, U.; Keller, E.; Kramer, V.; Oppermann, H.; Petasch, U.","On the crystal structure of Bi11 Se12 Cl9","Zeitschrift fuer Kristallographie (149,1979-)","1999","214","","264","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","140561","2020-10-21","18:00:00",""
"8103507","11.828","","11.828","","11.828","","90","","90","","90","","1654.76","","","","","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","(Ca0.9 Mg0.1)3 Al2 (Si O4)3","","- Al2 Ca2.7 Mg0.3 O12 Si3 -","- Al2 Ca2.7 Mg0.3 O12 Si3 -","- Al16 Ca21.6 Mg2.4 O96 Si24 -","8","0.0833333","","Geiger, C.A.; Armbruster, T.","The crystal structure of a garnet solid solution (Ca0.9 Mg0.1)3 Al2(Si O4)3 at 295 K and 100 K: local site behaviour - dynamic and static disorder","Zeitschrift fuer Kristallographie (149,1979-)","1999","214","","211","215","","","","","","","","","","","","","","","","","","","","","","has coordinates","140687","2020-10-21","18:00:00",""
"8103508","8.409","","7.508","","10.511","","90","","111.77","","90","","616.281","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cu2 (Se O3)2 (H2 O)","","- Cu2 H2 O7 Se2 -","- Cu2 H2 O7 Se2 -","- Cu8 H8 O28 Se8 -","4","1","","Giester, G.","New copper selenites. Part B: Cu2 (Se O3)2 . (H2 O) and Tl(III)2 Cu3 (Se O3)6","Zeitschrift fuer Kristallographie (149,1979-)","1999","214","","305","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103509","4.803","","9.605","","9.934","","67.05","","81.41","","77.96","","411.546","","","","","","","","","","","","","4","P -1","-P 1","2","","Tl2 Cu3 (Se O3)6","","- Cu3 O18 Se6 Tl2 -","- Cu3 O18 Se6 Tl2 -","- Cu3 O18 Se6 Tl2 -","1","0.5","","Giester, G.","New copper selenites. Part B: Cu2 (Se O3)2 . (H2 O) and Tl(III)2 Cu3 (Se O3)6","Zeitschrift fuer Kristallographie (149,1979-)","1999","214","","305","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","140712","2020-10-21","18:00:00",""
"8103510","3.744","","5.7647","","11.2912","","90","","90","","90","","243.698","","","","","","","","","","","","","5","I m m m","-I 2 2","71","","(Y1.74 Ca0.26) Ba Ni O5","","- Ba Ca0.26 Ni O5 Y1.74 -","- Ba Ca0.26 Ni O5 Y1.74 -","- Ba2 Ca0.52 Ni2 O10 Y3.48 -","2","0.125","","Massarotti, V.; Capsoni, D.; Bini, M.; Altomare, A.; Moliterni, A.G.G.","Ab initio structural approach on polycrystalline Y2-x Cax Ba Ni O5 (0<x<0.33) compounds","Zeitschrift fuer Kristallographie (149,1979-)","1999","214","","205","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103511","14.153","","14.153","","60.72","","90","","90","","120","","10533.2","","","","","","","","","","","","","13","R 3 m :H","R 3 -2""","160","","Zr3.63 Ti3.51 Ca8.5 Mn2.13 Si2.68 Al0.42 Fe0.93 Na34.43 Sr0.77 Ce1.13 (Si3 O9)4 (Si9 O27)4 Cl (O H)6.84 (H2 O)1.5","","- Al0.42 Ca8.5 Ce1.13 Cl Fe0.93 H9.84 Mn2.13 Na34.43 O152.34 Si50.68 Sr0.77 Ti3.51 Zr3.63 -","- Al0.42 Ca8.502 Ce1.134 Cl Fe0.93 Mn2.13 Na34.431 O152.349 Si50.68 Sr0.768 Ti3.51 Zr3.63 -","- Al1.26 Ca25.506 Ce3.402 Cl3 Fe2.79 Mn6.39 Na103.293 O457.047 Si152.04 Sr2.304 Ti10.53 Zr10.89 -","3","0.166667","","Rastsvetaeva, R.K.; Khomyakov, A.P.; Chapuis, G.","Crystal structure and crystal-chemical features of a new Ti-rich member of the eudialyte family","Zeitschrift fuer Kristallographie (149,1979-)","1999","214","","271","278","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103512","10.594","","3.019","","10.299","","90","","88.98","","90","","329.344","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Fe O (O H) Cl0.227","","- Cl0.227 Fe H O2 -","- Cl0.2275 Fe O2 -","- Cl1.82 Fe8 O16 -","8","1","","Kilcoyne, S.H.; Lawrence, J.L.","The structure of iron dextran cores","Zeitschrift fuer Kristallographie (149,1979-)","1999","214","","666","669","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103513","4.583","","4.583","","5.189","","90","","90","","120","","94.387","","","","","","","","","","","","","2","P 31 2 1","P 31 2""","152","","Si O2","","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Kim-Zajonz, J.; Werner, S.; Schulz, H.","High pressure single crystal X-ray diffraction study on alpha-quartz","Zeitschrift fuer Kristallographie (149,1979-)","1999","214","","324","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103514","4.649","","4.649","","12.687","","90","","90","","120","","237.47","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","","Kim-Zajonz, J.; Werner, S.; Schulz, H.","High pressure single crystal X-ray diffraction study on ruby up to 31 GPa","Zeitschrift fuer Kristallographie (149,1979-)","1999","214","","331","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8103515","24.43","","6.732","","5.442","","90","","90","","90","","895.006","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","(Mo3.397 Re0.603) O11","","- Mo3.397 O11 Re0.603 -","- Mo3.397 O11 Re0.603 -","- Mo13.588 O44 Re2.412 -","4","1","","Weber, T.; Feller, J.; Oppermann, H.; Paufler, P.","On the exchange of molybdenum by rhenium in gamma-(Mo4-x Rex O11)","Zeitschrift fuer Kristallographie (149,1979-)","1999","214","","98","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","141191","2020-10-21","18:00:00",""
"8103516","8.095","","9.236","","7.781","","90","","115.76","","90","","523.937","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Li2 Co3 (Se O3)4","","- Co3 Li2 O12 Se4 -","- Co3 Li2 O12 Se4 -","- Co6 Li4 O24 Se8 -","2","0.5","","Wildner, M.; Andrut, M.","Crystal structure, electronic absorption spectra, and crystal field superposition model analysis of Li2 Co3 (Se O3)4","Zeitschrift fuer Kristallographie (149,1979-)","1999","214","","216","222","","","","","","","","","","","","","","","","","","","","","","has coordinates","141193","2020-10-21","18:00:00",""
"8103517","7.9223","","7.9375","","10.7155","","90","","90","","90","","673.826","","","","","","","","","","","","","2","P c n b","-P 2b 2ac","60","","Th2 Se5","","- Se5 Th2 -","- Se5 Th2 -","- Se20 Th8 -","4","0.5","","Kohlmann, H.; Beck, H.P.","Pseudo-symmetry in the crystal structure of An2 X5 compounds (An = Th, U, Np; X = S, Se)","Zeitschrift fuer Kristallographie (149,1979-)","1999","214","","341","345","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"8103518","8.12","","8.12","","3.05","","90","","90","","120","","174.158","","","","","","","","","","","","","4","P -6","P -6","174","","Li Na (C O3)","","- C Li Na O3 -","- C Li Na O3 -","- C3 Li3 Na3 O9 -","3","0.5","","Zhukov, S.G.; Yatsenko, A.V.; Schenk, H.; Chernyshev, V.V.; D'yakov, V.A.; le Loux, R.","X-ray high temperature powder diffraction study and computer simulation of gamma-(Li Na C O3)","Zeitschrift fuer Kristallographie (149,1979-)","1999","214","","255","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104115","6.281","","8.061","","8.118","","90.47","","106.87","","90.97","","393.242","","","","","","","","","","","","","4","P -1","-P 1","2","","Ba (O H) I (H2 O)4","","- Ba H9 I O5 -","- Ba H9 I O5 -","- Ba2 H18 I2 O10 -","2","1","","Peter, S.; Lutz, H.D.; Jauch, M.; Reehuis, W.","Neutron single-crystal study of barium hydroxide iodide tetrahydrate, a compound with most strongly distorted hydrate H2 O molecules","Zeitschrift fuer Kristallographie (149,1979-)","1999","214","","290","295","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9011518","6.03","","13.744","","5.562","","90","","95.75","","90","","458.639","","","","","","","","","","","","Tolbachik volcano, Kamchatka, Russia","4","P 1 21/c 1","-P 2ybc","14","","","Georgbokiite","- Cl2 Cu5 O8 Se2 -","- Cl2 Cu5 O8 Se2 -","- Cl4 Cu10 O16 Se4 -","2","0.5","","Krivovichev, S. V.; Shuvalov, R. R.; Semenova, T. F.; Filatov, S. K.","Crystal chemistry of inorganic compounds based on chains of oxocentered tetrahedra. III. Crystal structure of georgbokiite, Cu5O2(SeO3)2Cl2","Zeitschrift fur Kristallographie","1999","214","","135","138","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:44",""
"9011519","10.205","","10.504","","7.01","","90.38","","110.1","","71.82","","666.159","","","","","","","","","","","","Waidhaus, Bavaria, Germany","5","P -1","-P 1","2","","","Kastningite","- Al2 H18 Mn O18 P2 -","- Al2 H18 Mn O18 P2 -","- Al4 H36 Mn2 O36 P4 -","2","1","","Adiwidjaja, G.; Friese, K.; Klaska, K. H.; Schluter, J.","The crystal structure of kastningite (Mn,Fe,Mg)(H2O)4[Al2(OH)2(H2O)2(PO4)2]*2H2O - a new hydroxyl aquated orthophosphate hydrate mineral Locality: Waidhaus, Bavaria, Germany Note: changed sign of Oh1(y)","Zeitschrift fur Kristallographie","1999","214","","465","468","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""