# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-24T10:41:47+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 'Mineralogical Journal') AND volume = 13 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
"1544731","4.1797","0.0002","4.1797","0.0002","2.6669","0.0001","90","","90","","90","","46.59","0.004","","","","","","","100","","","","","2","P 42/m n m","-P 4n 2n","136","SiO2","","stishovite at 1bar","- O2 Si -","- O2 Si -","- O4 Si2 -","2","0.125","","Sugiyama, M.; Endo, S.; Koto, K.","The crystal structure of stishovite under pressure up to 6 GPa :Sample at 1 bar","Mineralogical Journal","1987","13","","455","466","","","","","","","","","","","","","","","","","","","","","","has coordinates","190904","2020-10-21","18:00:00",""
"1544732","4.1738","0.0006","4.1738","0.0006","2.6663","0.0005","90","","90","","90","","46.449","0.013","","","","","","","950000","","","","","2","P 42/m n m","-P 4n 2n","136","SiO2","","stishovite at 0.95 GPa","- O2 Si -","- O2 Si -","- O4 Si2 -","2","0.125","","Sugiyama, M.; Endo, S.; Koto, K.","The crystal structure of stishovite under pressure up to 6 GPa :Sample at 0.95 GPa","Mineralogical Journal","1987","13","","455","466","","","","","","","","","","","","","","","","","","","","","","has coordinates","190904","2020-10-21","18:00:00",""
"1544733","4.1693","0.0007","4.1693","0.0007","2.6652","0.0006","90","","90","","90","","46.329","0.015","","","","","","","1990000","","","","","2","P 42/m n m","-P 4n 2n","136","SiO2","","stishovite at 1.99 GPa","- O2 Si -","- O2 Si -","- O4 Si2 -","2","0.125","","Sugiyama, M.; Endo, S.; Koto, K.","The crystal structure of stishovite under pressure up to 6 GPa :Sample at 1.99 GPa","Mineralogical Journal","1987","13","","455","466","","","","","","","","","","","","","","","","","","","","","","has coordinates","190904","2020-10-21","18:00:00",""
"1544734","4.1642","0.0006","4.1642","0.0006","2.6636","0.0006","90","","90","","90","","46.188","0.014","","","","","","","2960000","","","","","2","P 42/m n m","-P 4n 2n","136","SiO2","","stishovite at 2.96 GPa","- O2 Si -","- O2 Si -","- O4 Si2 -","2","0.125","","Sugiyama, M.; Endo, S.; Koto, K.","The crystal structure of stishovite under pressure up to 6 GPa :Sample at 2.96 GPa","Mineralogical Journal","1987","13","","455","466","","","","","","","","","","","","","","","","","","","","","","has coordinates","190903","2020-10-21","18:00:00",""
"1544735","4.1564","0.0006","4.1564","0.0006","2.6602","0.0005","90","","90","","90","","45.957","0.013","","","","","","","4550000","","","","","2","P 42/m n m","-P 4n 2n","136","SiO2","","stishovite at 4.55 GPa","- O2 Si -","- O2 Si -","- O4 Si2 -","2","0.125","","Sugiyama, M.; Endo, S.; Koto, K.","The crystal structure of stishovite under pressure up to 6 GPa :Sample at 4.55 GPa","Mineralogical Journal","1987","13","","455","466","","","","","","","","","","","","","","","","","","","","","","has coordinates","190904","2020-10-21","18:00:00",""
"1544736","4.152","0.001","4.152","0.001","2.659","0.0009","90","","90","","90","","45.84","0.02","","","","","","","5170000","","","","","2","P 42/m n m","-P 4n 2n","136","SiO2","","stishovite at 5.17 GPa","- O2 Si -","- O2 Si -","- O4 Si2 -","2","0.125","","Sugiyama, M.; Endo, S.; Koto, K.","The crystal structure of stishovite under pressure up to 6 GPa :Sample at 5.17 GPa","Mineralogical Journal","1987","13","","455","466","","","","","","","","","","","","","","","","","","","","","","has coordinates","190904","2020-10-21","18:00:00",""
"1544738","5.6845","0.0004","5.6845","0.0004","5.6845","0.0004","90","","90","","90","","183.69","0.02","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","NiS2","","NiS2 at 1 atm","- Ni S2 -","- Ni S2 -","- Ni4 S8 -","4","0.166667","","Fujii, T.; Tanaka, K.; Marumo, F.; Noda, Y.","Structural behaviour of NiS2 up to 54 kbar :Sample at 1 atm","Mineralogical Journal","1987","13","","448","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","188922","2020-10-21","18:00:00",""
"1544739","5.6196","0.0006","5.6196","0.0006","5.6196","0.0006","90","","90","","90","","177.47","0.03","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","NiS2","","NiS2 at 32 kbar","- Ni S2 -","- Ni S2 -","- Ni4 S8 -","4","0.166667","","Fujii, T.; Tanaka, K.; Marumo, F.; Noda, Y.","Structural behaviour of NiS2 up to 54 kbar :Sample at 32 kbar","Mineralogical Journal","1987","13","","448","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","188923","2020-10-21","18:00:00",""
"1544740","5.5852","0.0004","5.5852","0.0004","5.5852","0.0004","90","","90","","90","","174.23","0.02","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","NiS2","","NiS2 at 49 kbar","- Ni S2 -","- Ni S2 -","- Ni4 S8 -","4","0.166667","","Fujii, T.; Tanaka, K.; Marumo, F.; Noda, Y.","Structural behaviour of NiS2 up to 54 kbar :Sample at 49 kbar","Mineralogical Journal","1987","13","","448","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","188924","2020-10-21","18:00:00",""
"1544741","5.5745","0.0004","5.5745","0.0004","5.5745","0.0004","90","","90","","90","","173.23","0.02","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","NiS2","","NiS2 at 54 kbar","- Ni S2 -","- Ni S2 -","- Ni4 S8 -","4","0.166667","","Fujii, T.; Tanaka, K.; Marumo, F.; Noda, Y.","Structural behaviour of NiS2 up to 54 kbar :Sample at 54 kbar","Mineralogical Journal","1987","13","","448","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","188925","2020-10-21","18:00:00",""
"1544889","4.769","0.006","10.243","0.027","6.003","0.011","90","","90","","90","","293.2","1","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","(Mg0.9Fe0.1)2SiO4","","olivine","- Fe0.2 Mg1.8 O4 Si -","- Fe0.2 Mg1.8 O4 Si -","- Fe0.8 Mg7.2 O16 Si4 -","4","0.5","","Aikawa, N.; Tokonami, M.","Crystal structure and cation distribution of ""cleavable"" olivines Sample: Oeyama","Mineralogical Journal","1987","13","","271","279","","","","","","","","","","","","","","","","","","","","","","has coordinates","189417","2020-10-21","18:00:00",""
"1544890","4.754","0.005","10.209","0.025","5.986","0.01","90","","90","","90","","290.5","0.9","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","(Mg0.88Fe0.12)2SiO4","","olivine","- Fe0.24 Mg1.76 O4 Si -","- Fe0.24 Mg1.76 O4 Si -","- Fe0.96 Mg7.04 O16 Si4 -","4","0.5","","Aikawa, N.; Tokonami, M.","Crystal structure and cation distribution of ""cleavable"" olivines Sample: Happo-One","Mineralogical Journal","1987","13","","271","279","","","","","","","","","","","","","","","","","","","","","","has coordinates","189418","2020-10-21","18:00:00",""
"1544891","5.417","0.0001","5.417","0.0001","5.417","0.0001","90","","90","","90","","158.956","0.005","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","FeS2","","pyrite at 1 atm","- Fe S2 -","- Fe S2 -","- Fe4 S8 -","4","0.166667","","Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y.","High pressure compressibilities of pyrite and cattierite Sample: FeS2 at 1 atm","Mineralogical Journal","1986","13","","202","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","189419","2020-10-21","18:00:00",""
"1544892","5.3825","0.0005","5.3825","0.0005","5.3825","0.0005","90","","90","","90","","155.94","0.03","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","FeS2","","pyrite at 3.1 GPa","- Fe S2 -","- Fe S2 -","- Fe4 S8 -","4","0.166667","","Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y.","High pressure compressibilities of pyrite and cattierite Sample: FeS2 at 3.1 GPa","Mineralogical Journal","1986","13","","202","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","189420","2020-10-21","18:00:00",""
"1544893","5.3702","0.0005","5.3702","0.0005","5.3702","0.0005","90","","90","","90","","154.87","0.02","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","FeS2","","pyrite at 4.2 GPa","- Fe S2 -","- Fe S2 -","- Fe4 S8 -","4","0.166667","","Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y.","High pressure compressibilities of pyrite and cattierite Sample: FeS2 at 4.2 GPa","Mineralogical Journal","1986","13","","202","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","189421","2020-10-21","18:00:00",""
"1544894","5.5348","0.0004","5.5348","0.0004","5.5348","0.0004","90","","90","","90","","169.55","0.02","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","CoS2","","cattierite at 1 atm","- Co S2 -","- Co S2 -","- Co4 S8 -","4","0.166667","","Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y.","High pressure compressibilities of pyrite and cattierite Sample: CoS2 at 1 atm","Mineralogical Journal","1986","13","","202","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","189422","2020-10-21","18:00:00",""
"1544895","5.5068","0.0003","5.5068","0.0003","5.5068","0.0003","90","","90","","90","","166.993","0.016","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","CoS2","","cattierite at 1.9 GPa","- Co S2 -","- Co S2 -","- Co4 S8 -","4","0.166667","","Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y.","High pressure compressibilities of pyrite and cattierite Sample: CoS2 at 1.9 GPa","Mineralogical Journal","1986","13","","202","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","189423","2020-10-21","18:00:00",""
"1544896","5.4799","0.0004","5.4799","0.0004","5.4799","0.0004","90","","90","","90","","164.56","0.02","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","CoS2","","cattierite at 3.6 GPa","- Co S2 -","- Co S2 -","- Co4 S8 -","4","0.166667","","Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y.","High pressure compressibilities of pyrite and cattierite Sample: CoS2 at 3.6 GPa","Mineralogical Journal","1986","13","","202","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","189424","2020-10-21","18:00:00",""
"1544897","15.04","0.02","2.886","0.002","14.64","0.02","90","","92.4","0.2","90","","634.9","1.3","","","","","","","","","","","","3","A 1 2/m 1","-A 2y","12","Rb0.27MnO2","","Rb0.27MnO2","- Mn O2 Rb0.27 -","- Mn O2 Rb0.274571 -","- Mn14 O28 Rb3.844 -","14","1.75","","Tamada, O.; Yamamoto, N.","The crystal structure of a new manganese dioxide (Rb0.27MnO2) with a giant tunnel","Mineralogical Journal","1986","13","","130","140","","","","","","","","","","","","","","","","","","","","","","has coordinates","209176","2020-10-21","18:00:00",""
"1544898","15.561","0.008","15.561","0.008","11.777","0.007","90","","90","","90","","2852","3","","","","","","","","","","","","8","P 4/n n c","-P 4a 2bc","126","Ca19(Fe,Mn)(OH)2(Mg,Al)8Al4(OH)8(SiO4)19(Si2O7)4","","natural vesuvianite","- Al8.9 Ca18.6 Fe1.4 H2 Mg2.1 Mn0.3 O73 Si18.2 -","- Al11.272 Ca18.94 F2 Fe1.662 H8 O76 Si18 -","- Al22.544 Ca37.88 F4 Fe3.324 H16 O152 Si36 -","2","","","Yoshiasa, A.; Matsumoto, T.","The crystal structure of vesuvianite from Nakatatsu mine: reinvestigation of the cation site-populations and of the hydroxyl groups","Mineralogical Journal","1986","13","","1","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","189427","2020-10-21","18:00:00",""
"1544899","15.565","","15.565","","11.816","","90","","90","","90","","2862.65","","","","","","","","","","","","","8","P 4/n n c","-P 4a 2bc","126","Ca19(Fe,Mn)(OH)2(Mg,Al)8Al4(OH)8(SiO4)19(Si2O7)4","","natural vesuvianite","- Al8.9 Ca18.6 Fe1.4 H2 Mg2.1 Mn0.3 O73 Si18.2 -","- Al11.272 Ca18.984 F2 Fe1.564 O76 Si18 -","- Al22.544 Ca37.968 F4 Fe3.128 O152 Si36 -","2","","","Yoshiasa, A.; Matsumoto, T.","The crystal structure of vesuvianite from Nakatatsu mine: reinvestigation of the cation site-populations and of the hydroxyl groups Sample: reanalyzed data of Coda et al. (1970)","Mineralogical Journal","1986","13","","1","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","189428","2020-10-21","18:00:00",""
"1544900","12.415","0.003","12.415","0.003","8.215","0.001","90","","90","","120","","1096.6","0.4","","","","","","","","","","","","3","R -3","-R 3","148","Be2SiO4","","phenacite at 2.2 GPa","- Be2 O4 Si -","- Be2 O4 Si -","- Be36 O72 Si18 -","18","","","Kogure, T.; Takeuchi, Y.","Compressibility of the BeO4 tetrahedra in the crystal structure of phenacite Sample: 2.2 GPa","Mineralogical Journal","1986","13","","22","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1544901","12.391","0.003","12.391","0.003","8.2","0.001","90","","90","","120","","1090.3","0.4","","","","","","","","","","","","3","R -3","-R 3","148","Be2SiO4","","phenacite at 3.2 GPa","- Be2 O4 Si -","- Be2 O4 Si -","- Be36 O72 Si18 -","18","","","Kogure, T.; Takeuchi, Y.","Compressibility of the BeO4 tetrahedra in the crystal structure of phenacite Sample: 3.2 GPa","Mineralogical Journal","1986","13","","22","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1544904","3.652","0.003","3.652","0.003","3.866","0.002","90","","90","","120","","44.65","0.06","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","Li3N","","Li3N at 20 C","- Li3 N -","- Li3 N -","- Li3 N -","1","0.0416667","","Kawada, I; Isobe, M.; Okamura, F.P.; Watanabe, H.; Ohsumi, K.; Horiuchi, H.; Sato, T.; Ishii, T.","Time-of-flight neutron diffraction study of Li3N at high temperature Sample: 20 C","Mineralogical Journal","1986","13","","28","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","189438","2020-10-21","18:00:00",""
"1544905","3.698","0.004","3.698","0.004","3.888","0.003","90","","90","","120","","46.05","0.08","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","Li3N","","Li3N at 400 C","- Li3 N -","- Li3 N -","- Li3 N -","1","0.0416667","","Kawada, I; Isobe, M.; Okamura, F.P.; Watanabe, H.; Ohsumi, K.; Horiuchi, H.; Sato, T.; Ishii, T.","Time-of-flight neutron diffraction study of Li3N at high temperature Sample: 400 C","Mineralogical Journal","1986","13","","28","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","189439","2020-10-21","18:00:00",""
"1545149","4.1617","0.0007","4.1617","0.0007","2.6633","0.0006","90","","90","","90","","46.128","0.015","","","","","","","3490000","","","","","2","P 42/m n m","-P 4n 2n","136","SiO2","","stishovite at 3.49 GPa","- O2 Si -","- O2 Si -","- O4 Si2 -","2","0.125","","Sugiyama, M.; Endo, S.; Koto, K.","The crystal structure of stishovite under pressure up to 6 GPa :Sample at 3.49 GPa","Mineralogical Journal","1987","13","","455","466","","","","","","","","","","","","","","","","","","","","","","has coordinates","190909","2020-10-21","18:00:00",""
"1545150","4.1501","0.0008","4.1501","0.0008","2.6575","0.0008","90","","90","","90","","45.771","0.019","","","","","","","5840000","","","","","2","P 42/m n m","-P 4n 2n","136","SiO2","","stishovite at 5.84 GPa","- O2 Si -","- O2 Si -","- O4 Si2 -","2","0.125","","Sugiyama, M.; Endo, S.; Koto, K.","The crystal structure of stishovite under pressure up to 6 GPa :Sample at 5.84 GPa","Mineralogical Journal","1987","13","","455","466","","","","","","","","","","","","","","","","","","","","","","has coordinates","190910","2020-10-21","18:00:00",""
"1545151","4.1487","0.0006","4.1487","0.0006","2.6573","0.0003","90","","90","","90","","45.737","0.011","","","","","","","6090000","","","","","2","P 42/m n m","-P 4n 2n","136","SiO2","","stishovite at 6.09 GPa","- O2 Si -","- O2 Si -","- O4 Si2 -","2","0.125","","Sugiyama, M.; Endo, S.; Koto, K.","The crystal structure of stishovite under pressure up to 6 GPa :Sample at 6.09 GPa","Mineralogical Journal","1987","13","","455","466","","","","","","","","","","","","","","","","","","","","","","has coordinates","190911","2020-10-21","18:00:00",""
"9009726","5.544","","11.683","","9.134","","92.06","","101.19","","76.34","","563.921","","","","","","","","","","","","Franklin, New Jersey, USA","6","P -1","-P 1","2","","","Yeatmanite","- Fe0.2 Mn9 O28 Sb2 Si3.8 Zn6 -","- Fe0.2 Mn9 O28 Sb2 Si3.8 Zn6 -","- Fe0.2 Mn9 O28 Sb2 Si3.8 Zn6 -","1","0.5","","Kato, T.","The crystal structure of yeatmanite","Mineralogical Journal","1986","13","","53","64","10.2465/minerj.13.53","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009727","10.006","","2.866","","9.746","","90","","91.17","","90","","279.43","","","","","","","","","","","","Gowari Wadhona, India","5","I 1 2/m 1","-I 2y","12","","","Hollandite","- Ba0.75 Fe0.08 K0.19 Mn3.92 O8 -","- Ba0.75 Fe0.08 K0.19 Mn3.92 O8 -","- Ba1.5 Fe0.16 K0.38 Mn7.84 O16 -","2","0.25","","Miura, H.","The crystal structure of hollandite","Mineralogical Journal","1986","13","","119","129","10.2465/minerj.13.119","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009728","5.3","","5.3","","8.65","","90","","90","","120","","210.426","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","","Kalsilite","- Al K O4 Si -","- Al K O4.00002 Si -","- Al2 K2 O8.00004 Si2 -","2","0.166667","","Kawahara, A.; Andou, Y.; Marumo, F.; Okuno, M.","The crystal structure of high temperature form of kalsilite (KAlSiO4) at 950 C Note: B(1,2)'s corrected to obey symmetry restrictions Note: Synthetic sample Note: x(O1) adjusted to match reported bond lengths","Mineralogical Journal","1987","13","","260","270","10.2465/minerj.13.260","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009729","7.015","","7.015","","16.558","","90","","90","","120","","705.657","","","","","","","","","","","","Palermo mine, North Groton, New Hampshire, USA","5","R -3 m :H","-R 3 2""","166","","","Goyazite","- Al3 H7 O14 P2 Sr -","- Al3 H7 O14 P2 Sr -","- Al9 H21 O42 P6 Sr3 -","3","0.0833333","","Kato, T.","Further refinement of the goyazite structure","Mineralogical Journal","1987","13","","390","396","10.2465/minerj.13.390","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9012100","5.262","","9.102","","10.094","","90","","100.83","","90","","474.839","","","","","","","","","","","","Tanakamiyama, Ohtsu, Japan","11","C 1 2 1","C 2y","5","","","Masutomilite","- Al1.64 F1.46 Fe0.12 H0.54 K0.861 Li1.27 Mn0.5 Na0.072 O10.54 Rb0.067 Si3.34 -","- Al1.64 F1.46 Fe0.12 H0.54 K0.861 Li1.27 Mn0.5 Na0.072 O10.54 Rb0.067 Si3.34 -","- Al3.28 F2.92 Fe0.24 H1.08 K1.722 Li2.54 Mn Na0.144 O21.08 Rb0.134 Si6.68 -","2","0.5","","Mizota, T.; Kato, T.; Harada, K.","The crystal structure of masutomilite, Mn analogue of zinnwaldite","Mineralogical Journal","1986","13","","13","21","10.2465/minerj.13.13","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""