Crystallography Open Database

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COD ID Blue up arrow Links Formula Up arrow Space group Up arrow Cell parameters Cell volume Up arrow Bibliography
9017420 CIFAl0.14 Be2 Ca Fe1.176 H8 Mg0.096 Mn0.57 O17 P3 Zn0.36C 1 2/c 115.941; 11.877; 6.625
90; 95.09; 90
1249.37Barinova, A. V.; Rastsvetaeva, R. K.; Chukanov, N. V.; Pietraszko, A.
Refinement of the crystal structure of Zn-containing greifensteinite
Crystallography Reports, 2004, 49, 942-945
9017421 CIFH4 K2 O12 S2 UP n a 2113.773; 7.288; 11.556
90; 90; 90
1159.96Alekseev, E. V.; Suleimanov, E. V.; Chuprunov, E. V.; Marychev, M. O.; Ivanov, V. A.; Fukin, G. K.
Crystal structure and nonlinear optical properties of the K2UO2(SO4)2*2H2O compound at 293 K
Crystallography Reports, 2006, 51, 29-33
9017424 CIFCa2 O4 SiP 1 21/n 15.5051; 6.7551; 9.3108
90; 94.513; 90
345.172Yamnova, N. A.; Zubkova, N. V.; Eremin, N. N.; Zadov, A. E.; Gazeev, V. M.
Crystal structure of larnite beta-Ca2SiO4 and specific features of polymorphic transitions in dicalcium orthosilicate
Crystallography Reports, 2011, 56, 210-220
9017425 CIFH12 O13 S Zn4P 18.312; 14.545; 18.504
89.71; 90.05; 90.13
2237.06Rastsvetaeva, R. K.; Aksenov, S. M.; Chukanov, N. V.; Verin, I. A.
Crystal structure of a new mineral lahnsteinite Zn4(SO4)(OH)6*3H2O
Crystallography Reports, 2012, 57, 737-741
9017426 CIFAl0.32 Be0.45 Cr0.71 O2P 21 21 21 (a+1/4,b-1/4,c)4.487; 5.629; 9.732
90; 90; 90
245.804Yamnova, N. A.; Aksenov, S. M.; Pautov, L. A.; Popov, M. P.; Erokhin, Y. V.
Specific features of cation distribution in the crystal structure of mariinskite BeCr2O4 (derivative of olivine-type structure) Note: Sample 1
Crystallography Reports, 2014, 59, 30-35
9017427 CIFAl0.37 Be0.45 Cr0.66 O2P 21 21 21 (a+1/4,b-1/4,c)4.478; 5.62; 9.746
90; 90; 90
245.271Yamnova, N. A.; Aksenov, S. M.; Pautov, L. A.; Popov, M. P.; Erokhin, Y. V.
Specific features of cation distribution in the crystal structure of mariinskite BeCr2O4 (derivative of olivine-type structure) Note: Sample 2
Crystallography Reports, 2014, 59, 30-35
9017428 CIFFe Se2P n n m4.804; 5.781; 3.5817
90; 90; 90
99.471Lavina, B.; Downs, R. T.; Sinogeikin, S.
The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 0.0 GPa
Crystals, 2018, 8
9017429 CIFFe Se2P n n m4.771; 5.756; 3.5663
90; 90; 90
97.937Lavina, B.; Downs, R. T.; Sinogeikin, S.
The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 1.7 GPa
Crystals, 2018, 8
9017430 CIFFe Se2P n n m4.751; 5.729; 3.5467
90; 90; 90
96.536Lavina, B.; Downs, R. T.; Sinogeikin, S.
The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 3.83 GPa
Crystals, 2018, 8
9017431 CIFFe Se2P n n m4.698; 5.667; 3.5088
90; 90; 90
93.417Lavina, B.; Downs, R. T.; Sinogeikin, S.
The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 8.1 GPa
Crystals, 2018, 8
9017432 CIFFe Se2P n n m4.603; 5.581; 3.4492
90; 90; 90
88.608Lavina, B.; Downs, R. T.; Sinogeikin, S.
The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 17.3 GPa
Crystals, 2018, 8
9017433 CIFFe Se2P n n m4.555; 5.524; 3.409
90; 90; 90
85.777Lavina, B.; Downs, R. T.; Sinogeikin, S.
The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 24.4 GPa
Crystals, 2018, 8
9017434 CIFFe Se2P n n m4.488; 5.471; 3.3734
90; 90; 90
82.83Lavina, B.; Downs, R. T.; Sinogeikin, S.
The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 32 GPa
Crystals, 2018, 8
9017435 CIFFe Se2P n n m4.404; 5.391; 3.3185
90; 90; 90
78.788Lavina, B.; Downs, R. T.; Sinogeikin, S.
The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 46 GPa
Crystals, 2018, 8
9017436 CIFFe Se2P n n m4.7885; 5.7782; 3.5821
90; 90; 90
99.113Lavina, B.; Downs, R. T.; Sinogeikin, S.
The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 198.2 K, P = 0.0001 GPa
Crystals, 2018, 8
9017437 CIFFe Se2P n n m4.7893; 5.7775; 3.5795
90; 90; 90
99.045Lavina, B.; Downs, R. T.; Sinogeikin, S.
The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 148.4 K, P = 0.0001 GPa
Crystals, 2018, 8
9017438 CIFFe Se2P n n m4.7834; 5.7767; 3.5789
90; 90; 90
98.893Lavina, B.; Downs, R. T.; Sinogeikin, S.
The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 50.4 K, P = 0.0001 GPa
Crystals, 2018, 8
9017439 CIFFe Se2P n n m4.751; 5.723; 3.5501
90; 90; 90
96.527Lavina, B.; Downs, R. T.; Sinogeikin, S.
The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 197 K, P = 3.68 GPa
Crystals, 2018, 8
9017440 CIFFe Se2P n n m4.7446; 5.772; 3.5512
90; 90; 90
97.253Lavina, B.; Downs, R. T.; Sinogeikin, S.
The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 116 K, P = 3.64 GPa
Crystals, 2018, 8
9017441 CIFFe H Li O5 PP -15.3528; 7.2896; 5.1187
109.359; 97.733; 106.359
174.984Marx, N.; Croguennec, L.; Carlier, D.; Wattiaux, A.; Le Cras, F.; Suard, E.; Delmas, C.
The structure of tavorite LiFePO4(OH) from diffraction and GGA + U studies and its preliminary electrochemical characterization
Dalton Transactions, 2010, 39, 5108-5116

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