# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-26T10:53:16+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 = 212 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
"1000046","5.593","0.006","3.645","0.004","22.45599","0.027","90","","96.97","0.02","90","","454.4","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Pentacalcium 16-oxodihydroxohexasilicate tetrahydrate","Clinotobermorite","- Ca5 H10 O22 Si6 -","- Ca5 H10 O19 Si6 -","- Ca5 H10 O19 Si6 -","1","0.125","","Hoffmann, C; Armbruster, T","Clinotobermorite, Ca5 (Si3 O8 (O H))2 . 4(H2 O) Ca5 (Si6 O17) . 5 (H2 O), a natural C-S-H(I) type cement mineral: determination of the substructure","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","863","873","","","","","","","0.0671","","","","","","","","","","","","","","","has coordinates","279153","2022-11-09","14:45:06",""
"1001833","6.758","0.001","6.339","0.001","7.054","0.001","90","","110.13","0.01","90","","283.7","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Molybdenum dioxide hydroxotrioxophosphate(V) hydrate","","- H3 Mo O7 P -","- H3 Mo O7 P -","- H6 Mo2 O14 P2 -","2","0.5","","Biot, C; Leclaire, A; Borel, M M; Raveau, B","Revised crystal structure of molybdenum hydroxymonophosphate, (Mo O2) . (H2 O) . (P (O3 O H))","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","792","794","","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001834","6.3524","0.0007","6.3524","0.0007","4.0916","0.0005","90","","90","","90","","165.1","","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","Niobium tungsten oxide phosphate(V) (0.79/0.21/1/1) α-α'","","- Nb0.787 O5 P W0.213 -","- Nb0.787 O5 P W0.213 -","- Nb1.574 O10 P2 W0.426 -","2","0.125","","Leclaire, A.; Borel, M. M.; Raveau, B.; Mezaoui, D.","Combination of α-NbOPO~4 type layers with enantiomorphic α'-type layers: the ""racemic structure"" of α-α'-(Nb~0.787~W~0.213OPO~4~)","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","837","839","10.1524/zkri.1997.212.12.837","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","200077","2020-10-21","18:00:00",""
"1008743","10.855","0.002","8.715","0.002","10.998","0.002","90.6","0.03","96.49","0.03","90.17","0.03","1033.7","","","","","","","","","","","","","3","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","Pentacalcium trigermanate","","- Ca5 Ge3 O11 -","- Ca5 Ge3 O11 -","- Ca20 Ge12 O44 -","4","","","Barbier, J; Levy, D","Crystal structures of Ca5 Ge3 O11 and wollastonite-type Ga Ge O3","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","519","528","","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008744","7.2686","0.0015","7.5262","0.0015","8.094","0.002","103.44","0.03","94.42","0.03","90.11","0.03","429.3","","","","","","","","","","","","","3","P -1","-P 1","2","","Calcium germanate","","- Ca Ge O3 -","- Ca Ge O3 -","- Ca6 Ge6 O18 -","6","3","","Barbier, J; Levy, D","Crystal structures of Ca5 Ge3 O11 and wollastonite-type Ga Ge O3","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","519","528","","","","","","","0.0686","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100456","6.397","0.001","7.769","0.002","15.411","0.004","90","","100.15","0.02","90","","753.91","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H21 N O4 S -","- C14 H21 N O4 S -","- C28 H42 N2 O8 S2 -","2","1","","Harms, K.; Koert, U.; Wagner, H.","Crystal structure of (2S,5S,1'S)-5-hydroxymethyl-2-(1'-p-toluene-sulfonamidoethyl)-tetrahydrofurane, C~14~H~21~NO~4~S","Zeitschrift für Kristallographie","1997","212","3","212","212","10.1524/zkri.1997.212.3.238","","","","","","","","","","","","","","","","","","","","","has coordinates","178096","2020-10-21","18:00:00",""
"6000009","13.445","","7.669","","15.018","","90","","113.92","","90","","1415.51","","","","","","","","","","","","","4","C 1 2/c 1","","","","","","- C2 H7 Ba O7.5 -","","","","","","Neder, R.; Burghammer, M.; Schulz, H.; Christensen, A. N.; Krane, H. G.; Bell, A. M. T.; Hewat, A. W.; Altomare, A.","Crystal structure determination of barium oxalate, BaC2O4 3.5H(2)O/D2O","Zeitschrift für Kristallographie","1997","212","4","305","309","10.1524/zkri.1997.212.4.305","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"8103393","7.0524","","7.0524","","4.1387","","90","","90","","120","","178.266","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Yb Ag Ge","","- Ag Ge Yb -","- Ag Ge Yb -","- Ag3 Ge3 Yb3 -","3","0.25","","Kremer, R.K.; Gibson, B.; Poettgen, R.","Crystal structure of ytterbium silver germanide, Yb Ag Ge","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","58","58","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103843","3.7113","","3.7113","","6.4878","","90","","90","","120","","77.389","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","(Lu1.33 Yb0.67) O2 S","","- Lu1.33 O2 S Yb0.67 -","- Lu1.33 O2 S Yb0.67 -","- Lu1.33 O2 S Yb0.67 -","1","0.0833333","","Li, P.-Y.; Range, K.J.; Andratschke, M.","Crystal structure of lutetium ytterbium oxide sulfide, (Lu1.33 Yb0.67) O2 S","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","49","49","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103935","6.589","","6.589","","9.236","","90","","90","","120","","347.259","","","","","","","","","","","","","6","P -6 2 m","P -6 -2","189","","Sm (Au (C N)2)3 (H2 O)2.6","","- C6 H5.2 Au3 N6 O2.6 Sm -","- C6 Au3 N6 O2.55 Sm -","- C6 Au3 N6 O2.55 Sm -","1","0.0833333","","Stier, A.; Range, K.J.","Crystal structure of Samarium-tris-dicyanoaurate(I)-hydrate Sm (Au (C N)2)3 . 2.6 H2 O","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","51","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103972","17.186","","7.413","","6.663","","90","","95.39","","90","","845.112","","","","","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","Ca Zn2 (P O4)2 (H2 O)2","","- Ca H4 O10 P2 Zn2 -","- Ca O10 P2 Zn2 -","- Ca4 O40 P8 Zn8 -","4","0.5","","Taxer, K.J.; Bartl, H.","Die ""geordnete gemittelte"" Kristallstruktur von Parascholzit. Zur Dimorphie von Ca Zn2 (P O4)2 . 2(H2 O), Parascholzit-Scholzit.","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","197","202","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104016","7.829","","7.829","","4.585","","90","","90","","120","","243.379","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Na Sr As","","- As Na Sr -","- As Na Sr -","- As3 Na3 Sr3 -","3","0.25","","Carrillo-Cabrera, W.; Somer, M.; Peters, E.M.; Peters, K.; von Schnering, H.G.","Crystal structure of sodium strontium arsenide, Na Sr As","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","52","52","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104077","7.186","","7.932","","17.377","","90","","90.62","","90","","990.42","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Sr2 (P O3)4","","- O12 P4 Sr2 -","- O12 P4 Sr2 -","- O48 P16 Sr8 -","4","1","","Olbertz, A.; Stachel, D.; Svoboda, I.; Fuess, H.","Redetermination of the crystal structure of strontium polyphosphate, (Sr2 (P O3)4)","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","135","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","163926","2020-10-21","18:00:00",""
"8104097","9.35","","9.35","","9.61","","90","","90","","90","","840.13","","","","","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","Na5 (Al (O H)6) (O H)2","","- Al H8 Na5 O8 -","- Al H8 Na5 O8 -","- Al4 H32 Na20 O32 -","4","0.5","","Weinberger, M.; Schneider, M.; Gessner, W.","Crystal structure of pentanatrium hexahydroxoaluminate dihydroxide, Na5 (Al (O H)6) . (O H)2","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","236","236","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104159","5.6167","","5.6167","","14.286","","90","","90","","120","","390.305","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Ni3 Pb2 Se2 -","- Ni3 Pb2 Se2 -","- Ni9 Pb6 Se6 -","3","0.0833333","","Range, K.J.; Paulus, H.; Rau, F.; Zabel, M.","Crystal structure of nickel lead selenide (3/2/2), Ni3 Pb2 Se2","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","136","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104164","10.4041","","10.4041","","10.4041","","90","","90","","90","","1126.19","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Nd2 Pt2 O7","","- Nd2 O7 Pt2 -","- Nd2 O7 Pt2 -","- Nd16 O56 Pt16 -","8","0.0416667","","Zabel, M.; Rau, F.; Steiner, C.; Range, K.J.","Crystal Structure of Neodymium Platinum Oxide (2/2/7), Nd2 Pt2 O7","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","137","137","","","","","","","","","","","","","","","","","","","","","","has coordinates","164746","2020-10-21","18:00:00",""
"8104172","9.046","","9.261","","10.376","","97.24","","100.92","","101.66","","823.604","","","","","","","","","","","","","6","P -1","-P 1","2","","K4 (Nb6 Cl12 (N3)6) (H2 O)2","","- Cl12 H4 K4 N18 Nb6 O2 -","- Cl12 H4 K4 N18 Nb6 O2 -","- Cl12 H4 K4 N18 Nb6 O2 -","1","0.5","","Reckeweg, O.; Meyer, H.J.","Crystal structure of tetrapotassium hexaazidododecachloroniobate dihydrate, K4 (Nb6 Cl12 (N3)6) (H2 O)2","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","234","234","","","","","","","","","","","","","","","","","","","","","","has coordinates","200426","2020-10-21","18:00:00",""
"8104193","10.489","","10.489","","10.489","","90","","90","","90","","1153.99","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Rb2 (W Br6)","","- Br6 Rb2 W -","- Br6 Rb2 W -","- Br24 Rb8 W4 -","4","0.0208333","","Zheng, Y.-Q.; Peters, K.; von Schnering, H.G.","Crystal structure of dirubidium hexabromotungstate (IV), Rb2 W Br6","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","53","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104196","9.918","","9.918","","9.918","","90","","90","","90","","975.601","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","K2 (W Cl5.4 Br0.6)","","- Br0.6 Cl5.4 K2 W -","- Br0.582 Cl5.418 K2 W -","- Br2.328 Cl21.672 K8 W4 -","4","0.0208333","","Zheng, Y.-Q.; Peters, K.; von Schnering, H.G.","Crystal structure of dipotassium mixed chloro-bromotungstate(IV), K2 W Cl5.4 Br0.6","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","54","54","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104198","10.733","","10.733","","10.733","","90","","90","","90","","1236.41","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Cs2 (W Br6)","","- Br6 Cs2 W -","- Br6 Cs2 W -","- Br24 Cs8 W4 -","4","0.0208333","","Zheng, Y.-Q.; Peters, P.; von Schnering, H.G.","Crystal structure of dicesium hexabromotungstate (IV), Cs2 W Br6","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","55","55","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104325","12.666","","12.666","","12.635","","90","","90","","120","","1755.44","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Na22 Ba14 Ca N6","","- Ba14 Ca N6 Na22 -","- Ba14 Ca N6 Na22 -","- Ba14 Ca N6 Na22 -","1","0.0416667","","Steinbrenner, U.; Simon, A.","Structural frustration in a rod packing - An analogy to the disordered triangular Ising net","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","428","438","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9011510","10.2867","","10.2867","","10.2867","","90","","90","","90","","1088.5","","","","","","","","","","","","Synthetic","3","I -4 3 d","I -4bd 2c 3","220","","","Eulytine","- Bi4 O12 Si3 -","- Bi4 O12 Si3 -","- Bi16 O48 Si12 -","4","0.0833333","","Liu, H.; Kuo, C.","Crystal structure of bismuth(III) silicate, Bi4(SiO4)3","Zeitschrift fur Kristallographie","1997","212","","48","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:42",""
"9011511","8.3556","","8.3556","","13.025","","90","","90","","120","","787.524","","","","","","","","","","","","San Francisco mine, Sierra Gorda, Chile","6","P -3","-P 3","147","","","Gordaite","- Cl H18 Na O16 S Zn4 -","- Cl H18 Na O16 S Zn4 -","- Cl2 H36 Na2 O32 S2 Zn8 -","2","0.333333","","Adiwidjaja, G.; Friese, K.; Klaska, K. H.; Schluter, J.","The crystal structure of gordaite NaZn4(SO4)(OH)6Cl*6H2O","Zeitschrift fur Kristallographie","1997","212","","704","707","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:43",""
"9014331","5.593","","3.645","","22.45599","","90","","96.97","","90","","454.415","","","","","","","","","","","","Wessels mine, Kalahari manganese field, South Africa","3","I 1 2/m 1","-I 2y","12","","","Clinotobermorite","- Ca2.5 O9 Si3 -","- Ca2.5 O9 Si3 -","- Ca5 O18 Si6 -","2","0.25","","Hoffmann, C.; Armbruster, T.","Clinotobermorite, Ca5(Si3O8(OH))2*4(H2O) - Ca5(Si6O17)*5(H2O), a natural C-S-H(I) type cement mineral: determination of the substructure _cod_database_code 1000046","Zeitschrift fur Kristallographie","1997","212","","863","873","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""