# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-03-07T04:33:53+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 = 201 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
"1001467","8.3068","0.0008","6.5262","0.0006","10.7181","0.0011","90","","106.705","0.0078","90","","556.5","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Dimolybdenum(V) dioxide tetraphosphate","","- Mo2 O15 P4 -","- Mo2 O15 P4 -","- Mo4 O30 P8 -","2","0.5","","Costentin, G; Leclaire, A; Borel, M M; Grandin, A; Raveau, B","Determination of the crystal structure of Mo(V)~2~P~4~O~15~","Zeitschrift fuer Kristallographie (149,1979-)","1992","201","","53","58","","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8103456","9.207","","5.7217","","7.3649","","90","","90","","90","","387.981","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tl (B F4)","","- B F4 Tl -","- B F4 Tl -","- B4 F16 Tl4 -","4","0.5","","Lutz, H.D.; Moeller, H.","Crystal structure of thallium tetrafluoroborate","Zeitschrift fuer Kristallographie (149,1979-)","1992","201","","285","286","10.1524/zkri.1992.201.3-4.285","","","","","","","","","","","","","","","","","","","","","has coordinates","301880","2025-08-22","23:45:50",""
"8103851","8.854","","5.888","","4.493","","90","","95.29","","90","","233.233","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Tl Cu (O H) S O4","","- Cu H O5 S Tl -","- Cu H O5 S Tl -","- Cu2 H2 O10 S2 Tl2 -","2","0.5","","Giester, G.","Syntheses and crystal structures of TlCu(OH)SO4 and TlCu(OH)SeO4","Zeitschrift fuer Kristallographie (149,1979-)","1992","201","","59","67","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103853","9.041","","5.959","","4.585","","90","","94.26","","90","","246.336","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Tl Cu (O H) Se O4","","- Cu H O5 Se Tl -","- Cu H O5 Se Tl -","- Cu2 H2 O10 Se2 Tl2 -","2","0.5","","Giester, G.","Syntheses and crystal structures of TlCu(OH)SO4 and TlCu(OH)SeO4","Zeitschrift fuer Kristallographie (149,1979-)","1992","201","","59","67","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103879","9.604","","9.558","","5.393","","90","","98.45","","90","","489.677","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Mn5 (O H)4 ((V0.89 As0.11) O4)2","","- As0.22 H4 Mn5 O12 V1.78 -","- As0.22 Mn5 O12 V1.78 -","- As0.44 Mn10 O24 V3.56 -","2","0.25","","Basso, R.; Lucchetti, G.; Zefiro, L.; Palenzona, A.","Reppiaite, Mn5(OH)4(VO4)2, a new mineral from Val Graveglia (Northern Apennines, Italy)","Zeitschrift fuer Kristallographie (149,1979-)","1992","201","","223","234","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103923","12.5815","","12.5815","","12.4508","","90","","90","","120","","1706.84","","","","","","","","","","","","","6","P 3 2 1","P 3 2""","150","","K5.49 Na8 (Be14 P14 O56) (H2 O)28.5","","- Be7 H28.5 K2.74 Na4 O42.25 P7 -","- Be7 K2.745 Na4 O42.25 P7 -","- Be14 K5.49 Na8 O84.5 P14 -","2","0.333333","","Harvey, G.; Baerlocher, C.; Wroblewski, T.","Structure solution and Rietveld refinement of beryllophosphate-H zeolite","Zeitschrift fuer Kristallographie (149,1979-)","1992","201","","113","123","","","","","","","","","","","","","","","","","","","","","","has coordinates","291193","2024-04-15","11:27:49",""
"8104165","8.442","","8.442","","6.399","","90","","90","","90","","456.04","","","","","","","","","","","","","5","P -4 21 c","P -4 2n","114","","(Ag (N H3)2)2 S O4","","- Ag2 H12 N4 O4 S -","- Ag2 H12 N4 O4 S -","- Ag4 H24 N8 O8 S2 -","2","0.25","","Zachwieja, U.; Jacobs, H.","Redetermination of the crystal structure of diammine silver(I) sulfate, (Ag(NH3)2)2SO4","Zeitschrift fuer Kristallographie (149,1979-)","1992","201","","207","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104173","8.0223","","8.1546","","5.762","","90","","90","","90","","376.942","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Fe2.59 Al5.41 Ge3.686 O19.38","","- Al5.41 Fe2.59 Ge3.686 O19.38 -","- Al5.408 Fe2.592 Ge3.686 O19.38 -","- Al5.408 Fe2.592 Ge3.686 O19.38 -","1","0.125","","Fischer, R.X.; Schneider, H.","Crystal chemistry of iron containing germanium andalusites, FexAl8-xGe4O20","Zeitschrift fuer Kristallographie (149,1979-)","1992","201","","19","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","164931","2020-10-21","18:00:00",""
"8104174","8.0376","","8.1673","","5.7726","","90","","90","","90","","378.945","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Fe3.004 Al5.004 Ge4 O20","","- Al5.004 Fe3.004 Ge4 O20 -","- Al4.996 Fe3.004 Ge4 O20 -","- Al4.996 Fe3.004 Ge4 O20 -","1","0.125","","Fischer, R.X.; Schneider, H.","Crystal chemistry of iron containing germanium andalusites, FexAl8-xGe4O20","Zeitschrift fuer Kristallographie (149,1979-)","1992","201","","19","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","164935","2020-10-21","18:00:00",""
"8104175","8.0655","","8.1954","","5.8019","","90","","90","","90","","383.506","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Fe3.66 Al4.34 Ge3.86 O19.72","","- Al4.34 Fe3.66 Ge3.86 O19.72 -","- Al4.34 Fe3.66 Ge3.86 O19.72 -","- Al4.34 Fe3.66 Ge3.86 O19.72 -","1","0.125","","Fischer, R.X.; Schneider, H.","Crystal chemistry of iron containing germanium andalusites, FexAl8-xGe4O20","Zeitschrift fuer Kristallographie (149,1979-)","1992","201","","19","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","164939","2020-10-21","18:00:00",""
"8104176","8.1006","","8.2259","","5.8259","","90","","90","","90","","388.207","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Fe4.56 Al3.412 Ge3.876 O19.76","","- Al3.412 Fe4.56 Ge3.876 O19.76 -","- Al3.412 Fe4.56 Ge3.876 O19.76 -","- Al3.412 Fe4.56 Ge3.876 O19.76 -","1","0.125","","Fischer, R.X.; Schneider, H.","Crystal chemistry of iron containing germanium andalusites, FexAl8-xGe4O20","Zeitschrift fuer Kristallographie (149,1979-)","1992","201","","19","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","164943","2020-10-21","18:00:00",""
"8104177","8.149","","8.2654","","5.8606","","90","","90","","90","","394.739","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Fe5.624 Al2.28 Ge4 O19.86","","- Al2.28 Fe5.624 Ge4 O19.86 -","- Al2.28 Fe5.624 Ge4 O19.86 -","- Al2.28 Fe5.624 Ge4 O19.86 -","1","0.125","","Fischer, R.X.; Schneider, H.","Crystal chemistry of iron containing germanium andalusites, FexAl8-xGe4O20","Zeitschrift fuer Kristallographie (149,1979-)","1992","201","","19","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","164947","2020-10-21","18:00:00",""
"8104388","14.6982","","25.7417","","9.5057","","90","","90","","90","","3596.54","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Cs3 (Cs1.95 Rb1.05) (P2 (Ga P)2)","","- Cs4.95 Ga2 P4 Rb1.05 -","- Cs4.953 Ga2 P4 Rb1.047 -","- Cs39.624 Ga16 P32 Rb8.376 -","8","1","","Somer, M.; von Schnering, H.G.; Carrillo-Cabrera, W.; Peters, K.","Crystal structure of cesium rubidium di-mue-arsenido-bis(arsenidogallate)","Zeitschrift fuer Kristallographie (149,1979-)","1992","201","","329","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","173327","2020-10-21","18:00:00",""
"8104389","15.0513","","26.3804","","9.7476","","90","","90","","90","","3870.38","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Cs3 (Cs2.18 Rb0.82) (As2 (Ga As)2)","","- As4 Cs5.18 Ga2 Rb0.82 -","- As4 Cs5.171 Ga2 Rb0.829 -","- As32 Cs41.368 Ga16 Rb6.632 -","8","1","","Somer, M.; Carrillo-Cabrera, W.; Peters, K.; von Schnering, H.G.","Crystal structure of Cesium rubidium di-mue-arsenido-bis(arsenidogallate)","Zeitschrift fuer Kristallographie (149,1979-)","1992","201","","327","328","","","","","","","","","","","","","","","","","","","","","","has coordinates","173329","2020-10-21","18:00:00",""
"9008415","19.369","","19.369","","19.369","","90","","90","","90","","7266.44","","","","523","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","Dodecasil 3C","","","- O2 Si -","- O2 Si -","- O272 Si136 -","136","0.708333","","Koennecke M; Miehe G; Fuess H","Static disorder of dodecasil 3C. A single-crystal study with synchrotron radiation Note: T = 523 K, conventional anisotropic refinement Locality: Synthetic","Zeitschrift fur Kristallographie","1992","201","","147","155","","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:20",""
"9008416","19.369","","19.369","","19.369","","90","","90","","90","","7266.44","","","","523","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","Dodecasil 3C","","","- O2 Si -","- O2.00047 Si -","- O272.064 Si136 -","136","0.708333","","Koennecke M; Miehe G; Fuess H","Static disorder of dodecasil 3C. A single-crystal study with synchrotron radiation Note: T = 523 K, split position refinement Locality: Synthetic","Zeitschrift fur Kristallographie","1992","201","","147","155","","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:20",""
"9011497","8.553","","12.319","","7.155","","90","","97.93","","90","","746.673","","","","","","","","","","","","Humaita, Brazil","4","C 1 2/c 1","-C 2yc","15","","","Moraesite","- Be2 H9 O9 P -","- Be2 H9 O9 P -","- Be8 H36 O36 P4 -","4","0.5","","Merlino, S.; Pasero, M.","Crystal chemistry of beryllophosphates: The crystal structure of moraesite, Be2(PO4)(OH)*4H2O Locality: Humaita, Brazil","Zeitschrift fur Kristallographie","1992","201","","253","262","10.1524/zkri.1992.201.3-4.253","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9015106","20.953","","5.171","","19.266","","90","","93.34","","90","","2083.89","","","","","","","","","","","","Campanian age marls of Mullica Hill, New Jersey, USA","4","C 1 2/c 1","-C 2yc","15","","","Beraunite","- Fe6 H17 O27 P4 -","- Fe6 H17 O27 P4 -","- Fe24 H68 O108 P16 -","4","0.5","","Moore, P. B.; Kampf, A. R.","Beraunite: Refinement, comparative crystal chemistry, and selected bond valences","Zeitschrift fur Kristallographie","1992","201","","263","281","10.1524/zkri.1992.201.3-4.263","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:46",""