Crystallography Open Database

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1000047 CIFMg2 O6 Si2P b c a18.25099; 8.814; 5.181
90; 90; 90
833.4Yang, H X; Ghose, S
High temperature single crystal X-ray diffraction studies of the ortho- proto phase transition in enstatite, Mg2 Si2 O6 at 1360 K
Physics and Chemistry of Minerals (Germany), 1995, 22, 300-310
1000048 CIFAl2 Ca2 O7 SiP -4 21 m7.685; 7.685; 5.0636
90; 90; 90
299.1Swainson, I P; Dove, M T; Schmahl, W W; Putnis, A
Neutron Diffraction Study of the Akermanite-Gehlenite Solid Solution Series
Physics and Chemistry of Minerals (Germany), 1992, 19, 185-195
1511199 CIFB K2 Li O3C 1 2 18.761; 6.081; 7.354
90; 102.57; 90
382.398Hoppe, R.; Miessen, M.
Neue Borate der Alkalimetalle:K2LiBo3
Physics and Chemistry of Minerals (Germany), 1985, 22, 331-343
1520778 CIFAl4.05 Ba0.53 H6.32 O35.16 Si11.95 Sr1.54P 1 21/m 16.676; 16.547; 7.543
90; 94.41; 90
830.791Alberti, A.; Vezzalini, G.; Sacerdoti, M.; Quartieri, S.
Heating-induced phase transformation in zeolite brewsterite: new 4-and 5-coordinated (Si, Al) sites
Physics and Chemistry of Minerals (Germany), 1999, 26, 181-186
1526693 CIFAl3.84 Fe1.56 H4 Mg0.6 O14 Si2P -15.4744; 5.4766; 9.1505
83.53; 76.68; 60.06
231.335Koch-Mueller, M.; Kahlenberg, V.; Schmidt, C.; Wirth, R.
Location of (O H) groups and oxidation processes in triclinic chloritoid
Physics and Chemistry of Minerals (Germany), 2000, 27, 703-712
1528514 CIFFe0.15 Mg1.82 O6 Si2P b c a18.4588; 8.9638; 5.2848
90; 90; 90
874.428Gatta, G.D.; Rinaldi, R.; Knight, K.S.; Molin, G.; Artioli, G.
High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in-situ neutron powder diffraction study
Physics and Chemistry of Minerals (Germany), 2007, 34, 185-200
1528685 CIFAl2 Ca H6.04 O15.02 Si4C 1 2/m 114.7514; 13.0827; 7.5648
90; 111.997; 90
1353.64Lee, Y.; Hriljac, J.A.; Vogt, T.
Pressure-induced migration of zeolitic water in laumontite
Physics and Chemistry of Minerals (Germany), 2004, 31, 421-428
1529540 CIFAl7.956 Ca2.816 H4.5 Na0.384 O73.28 Si28.044A m m a13.616; 17.158; 16.681
90; 90; 90
3897.07Alberti, A.; Rinaldi, R.; Vezzalini, G.
Dynamics of dehydration in stilbite-type structures; stellerite phase B
Physics and Chemistry of Minerals (Germany), 1978, 2, 365-375
1529985 CIFCa Fe2.83 H O9 Si2P 1 21/a 113.023; 8.7994; 5.8422
90; 90.231; 90
669.479Ghose, S.; Marezio, M.; Hewat, A.W.
A neutron powder diffraction study of the crystal and magnetic structures of Ilvaite from 305K to 5K a mixed valence iron silicate with an electronic transition
Physics and Chemistry of Minerals (Germany), 1984, 11, 67-74
1532332 CIFAl2 O5 SiP b n m7.588; 7.688; 5.777
90; 90; 90
337.01Wondraczek, L.; Borchardt, G.; Kilo, M.; Heide, G.; Nedeljkovic, N.; Jackson, R.A.
Computer simulation of defect structure in sillimanite and mullites
Physics and Chemistry of Minerals (Germany), 2002, 29, 341-345
1535229 CIFAl2.3 Ca0.3 Fe0.1 H3.3 Mg0.3 Mn2 O14 Si3P 1 21/m 18.7; 5.79; 9.78
90; 108.9; 90
466.087Mellini, M.; Merlino, S.; Pasero, M.
X-ray and HRTEMN study of sursassite:Crystal structure stacking disorder, and sursassite-pumpellyite intergrowth
Physics and Chemistry of Minerals (Germany), 1984, 10, 99-105
1537738 CIFGa2 Ge Mg3 O8I m m a5.8196; 11.8056; 8.3263
90; 90; 90
572.049Barbier, J.; Hyde, B.G.
Spinelloid phases in the system Mg Ga2 O4 - Mg2 Ge O4
Physics and Chemistry of Minerals (Germany), 1986, 13, 382-392
1544331 CIFO4 Si Zn2P n m a10.2897; 6.6711; 5.0691
90; 90; 90
347.96Liu, X.; Kanzaki, M.; Xue, X.
Crystal structures of Zn2SiO4 III and IV synthesized at 6.5-8 GPa and 1,273 K
Physics and Chemistry of Minerals, 2013, 40, 467-478
1544332 CIFO4 Si Zn2P b c a10.9179; 9.6728; 6.1184
90; 90; 90
646.14Liu, X.; Kanzaki, M.; Xue, X.
Crystal structures of Zn2SiO4 III and IV synthesized at 6.5-8 GPa and 1,273 K
Physics and Chemistry of Minerals, 2013, 40, 467-478
1544359 CIFIn O6 Sr2 TaP 1 21/n 15.7336; 5.7405; 8.10905
90; 90.022; 90
266.899Zhou, Q.; Kennedy, B.J.; Avdeev, M.
Crystal structure and phase transitions in Sr2InTaO6 sample: 25 C
Physics and Chemistry of Minerals, 2013, 40, 603-610
1544360 CIFIn O6 Sr2 TaI 1 2/m 15.7764; 5.776; 8.1566
90; 90.09; 90
272.14Zhou, Q.; Kennedy, B.J.; Avdeev, M.
Crystal struture and phase transitions in Sr2InTaO6 sample: 600 ?C
Physics and Chemistry of Minerals, 2013, 40, 603-610
1544361 CIFIn O6 Sr2 TaI 4/m5.7783; 5.7783; 8.1929
90; 90; 90
273.55Zhou, Q.; Kennedy, B.J.; Avdeev, M.
Crystal structure and phase transitions in Sr2InTaO6 sample: 750 C
Physics and Chemistry of Minerals, 2013, 40, 603-610
1544362 CIFIn O6 Sr2 TaF m -3 m8.2116; 8.2116; 8.2116
90; 90; 90
553.71Zhou, Q.; Kennedy, B.J.; Avdeev, M.
Crystal structure and phase transitions in Sr2InTaO6 sample: 1100 ?C
Physics and Chemistry of Minerals, 2013, 40, 603-610
1544392 CIFD2.32 Mg2.45 O6 Si1.19R -3 m2.97065; 2.97065; 13.9033
90; 90; 120
106.256Tomioka, N.; Okuchi, T.; Purevjav, N.; Abe, J.; Harjo, S.
Hydrogen sites in the dense hydrous magnesium silicate phase E: a pulsed neutron powder diffraction study
Physics and Chemistry of Minerals, 2016, 43, 267-475
1544393 CIFD2.22 Mg2.28 O6 Si1.31R -3 m2.97065; 2.97065; 13.9033
90; 90; 120
106.256Tomioka, N.; Okuchi, T.; Purevjav, N.; Abe, J.; Harjo, S.
Hydrogen sites in the dense hydrous magnesium silicate phase E: a pulsed neutron powder diffraction study :tilted O-D dipole model
Physics and Chemistry of Minerals, 2016, 43, 267-475
1544547 CIFAl H O2P 21 n m4.71247; 4.22417; 2.83203
90; 90; 90
56.3752Komatsu, K.; Sano-Furukawa, A.; Kagi, H.
Effects of Mg and Si ions on the symmetry of delta-AlOOH
Physics and Chemistry of Minerals, 2011, 38, 727-733
1544548 CIFAl0.84 H Mg0.07 O2 Si0.07P n n m4.70456; 4.21232; 2.83681
90; 90; 90
56.2174Komatsu, K.; Sano-Furukawa, A.; Kagi, H.
Effects of Mg and Si ions on the symmetry of delta-AlOOH
Physics and Chemistry of Minerals, 2011, 38, 727-733
1547868 CIFAl0.4 Ca O2.8 Si0.6C 1 2/c 19.036; 5.18766; 21.6291
90; 97.9987; 90
1004Kanzaki, M.; Xue, X.; Wu, Y.; Nie, S.
Crystal structures of two oxygen-deficient perovskite phases in the CaSiO3-CaAlO2.5 join :low pressure CaAl0.4Si0.6O2.8 phase
Physics and Chemistry of Minerals, 2017, 44, 717-733
1547869 CIFAl0.5 Ca O2.75 Si0.5C 1 2 19.1372; 5.22418; 17.5119
90; 100.011; 90
823.19Kanzaki, M.; Xue, X.; Wu, Y.; Nie, S.
Crystal structures of two oxygen-deficient perovskite phases in the CaSiO3-CaAlO2.5 join :low pressure CaAl0.5Si0.5O2.75 phase model1
Physics and Chemistry of Minerals, 2017, 44, 717-733
1549512 CIFH4 O10 Si2 Zn4I m m 28.3881; 10.7179; 5.1311
90; 90; 90
461.3Seryotkin, Y.V.; Bakakin, V.V.
Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite @ 1bar, room temperature
Physics and Chemistry of Minerals, 2011, 38, 679-684
1549513 CIFH4 O10 Si2 Zn4I m m 28.3512; 10.7136; 5.1092
90; 90; 90
457.13Seryotkin, Y.V.; Bakakin, V.V.
Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite @ 0.17 GPa, room temperature
Physics and Chemistry of Minerals, 2011, 38, 679-684
1549514 CIFH4 O10 Si2 Zn4I m m 28.3359; 10.7125; 5.10008
90; 90; 90
455.43Seryotkin, Y.V.; Bakakin, V.V.
Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite @ 0.47 GPa, room temperature
Physics and Chemistry of Minerals, 2011, 38, 679-684
1549515 CIFH4 O10 Si2 Zn4I m m 28.2849; 10.7055; 5.0843
90; 90; 90
450.95Seryotkin, Y.V.; Bakakin, V.V.
Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite @ 1.30 GPa, room temperature
Physics and Chemistry of Minerals, 2011, 38, 679-684
1549516 CIFH4 O10 Si2 Zn4I m m 28.2453; 10.6959; 5.0691
90; 90; 90
447.05Seryotkin, Y.V.; Bakakin, V.V.
Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite @ 1.93 GPa, room temperature
Physics and Chemistry of Minerals, 2011, 38, 679-684
1549517 CIFH4 O10 Si2 Zn4I m m 28.2209; 10.692; 5.0614
90; 90; 90
444.89Seryotkin, Y.V.; Bakakin, V.V.
Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite @ 2.44 GPa, room temperature
Physics and Chemistry of Minerals, 2011, 38, 679-684
1549519 CIFH4 O10 Si2 Zn4P n n 28.1407; 10.6127; 5.04567
90; 90; 90
435.92Seryotkin, Y.V.; Bakakin, V.V.
Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite II @ 3.17 GPa, room temperature
Physics and Chemistry of Minerals, 2011, 38, 679-684
1549522 CIFH4 O10 Si2 Zn4P n n 28.0863; 10.5218; 5.02927
90; 90; 90
427.9Seryotkin, Y.V.; Bakakin, V.V.
Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite II @ 4.2 GPa, room temperature
Physics and Chemistry of Minerals, 2011, 38, 679-684
1549523 CIFH4 O10 Si2 Zn4P n n 28.1034; 10.5561; 5.0324
90; 90; 90
430.47Seryotkin, Y.V.; Bakakin, V.V.
Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite II @ 3.74 GPa, room temperature
Physics and Chemistry of Minerals, 2011, 38, 679-684
1560110 CIFK2 Ni2 O12 S3P 21 39.843; 9.843; 9.843
90; 90; 90
953.636Speer, D.
Phase transitions in langbeinites I: Crystal chemistry and structures of K-double sulfates of the langbeinite type M2(2+) K2 (S O4)3, M(2+) = Mg, Ni, Co, Zn, Ca
Physics and Chemistry of Minerals, 1986, 17
1564527 CIFCa6 Cr2 H64 O50 S3P 3 1 c11.1615; 11.1615; 21.63017
90; 90; 120
2333.65Yurii V. Seryotkin; Ella V. Sokol; Svetlana N. Kokh; Victor V. Sharygin
Natural bentorite-Cr3+ derivate of ettringite: determination of crystal structure
Physics and Chemistry of Minerals, 2019, 46, 553-570
5000099 CIFAl2 Be O4P b n m4.398; 9.329; 5.436
90; 90; 90
223Hazen, R M
High-pressure crystal chemistry of chrysoberyl, Al2 Be O4: insights on the origin of olivine elastic anisotropy
Physics and Chemistry of Minerals (Germany), 1987, 14, 13-20
9005756 CIFAl3.978 Ca1.389 H2.8 K0.014 Mg0.008 Na0.189 O36.64 Si14.022A m m a13.62; 17.16; 16.68
90; 90; 90
3898.44Alberti, A.; Rinaldi, R.; Vezzalini, G.
Dynamics of dehydration in stilbite-type structures; stellerite phase B Sample: Stellerite phase B
Physics and Chemistry of Minerals, 1978, 2, 365-375
9005757 CIFMg O3 SiP b n m4.78; 4.933; 6.902
90; 90; 90
162.747Yagi, T.; Mao, H. K.; Bell, P. M.
Structure and crystal chemistry of perovskite-type MgSiO3 Sample: P = 1 bar, T = 25 C
Physics and Chemistry of Minerals, 1978, 3, 97-110
9005758 CIFAl H O2P b n m4.4007; 9.4253; 2.8452
90; 90; 90
118.013Hill, R. J.
Crystal structure refinement and electron density distribution in diaspore Sample: Neutral atom refinement
Physics and Chemistry of Minerals, 1979, 5, 179-200
9005759 CIFAl H O2P b n m4.4007; 9.4253; 2.8452
90; 90; 90
118.013Hill, R. J.
Crystal structure refinement and electron density distribution in diaspore Sample: Core/valence population and kappa refinement
Physics and Chemistry of Minerals, 1979, 5, 179-200
9005760 CIFO2 PbF m -3 m5.2; 5.2; 5.2
90; 90; 90
140.608Liu, L.
The high-pressure phase transformations of PbO2: an in-situ X-ray diffraction study Sample: P = 160 kbar, before laser heat, fluorite structure
Physics and Chemistry of Minerals, 1980, 6, 187-196
9005761 CIFO2 PbF m -3 m5.14; 5.14; 5.14
90; 90; 90
135.797Liu, L.
The high-pressure phase transformations of PbO2: an in-situ X-ray diffraction study Sample: P = 160 kbar, after laser heat, fluorite structure
Physics and Chemistry of Minerals, 1980, 6, 187-196
9005762 CIFO2 PbF m -3 m5.14; 5.14; 5.14
90; 90; 90
135.797Liu, L.
The high-pressure phase transformations of PbO2: an in-situ X-ray diffraction study Sample: P = 240 kbar, before laser heat, fluorite structure
Physics and Chemistry of Minerals, 1980, 6, 187-196
9005763 CIFAl H O2P b n m4.4036; 9.4286; 2.8459
90; 90; 90
118.161Klug, A.; Farkas, L.
Structural investigations of polycrystalline diaspore samples by x-ray powder diffraction Note: sample #1
Physics and Chemistry of Minerals, 1981, 7, 138-140
9005764 CIFAl H O2P b n m4.4035; 9.4269; 2.8454
90; 90; 90
118.116Klug, A.; Farkas, L.
Structural investigations of polycrystalline diaspore samples by x-ray powder diffraction Note: sample #2
Physics and Chemistry of Minerals, 1981, 7, 138-140
9005765 CIFAl H O2P b n m4.4027; 9.4273; 2.8464
90; 90; 90
118.141Klug, A.; Farkas, L.
Structural investigations of polycrystalline diaspore samples by x-ray powder diffraction Note: sample #3
Physics and Chemistry of Minerals, 1981, 7, 138-140
9005766 CIFAl H O2P b n m4.4043; 9.4296; 2.8465
90; 90; 90
118.217Klug, A.; Farkas, L.
Structural investigations of polycrystalline diaspore samples by x-ray powder diffraction Note: sample #4 Locality: from Nezsa, Hungary, associated with kaolinite, anatase and goethite
Physics and Chemistry of Minerals, 1981, 7, 138-140
9005767 CIFAl2 Mg O4F d -3 m :18.0806; 8.0806; 8.0806
90; 90; 90
527.632Ishii, M.; Hiraishi, J.; Yamanaka, T.
Structure and lattice vibrations of Mg-Al spinel solid solution Sample: Stoichiometric MgO.Al2O3
Physics and Chemistry of Minerals, 1982, 8, 64-68
9005768 CIFAl2.401 Mg0.398 O4F d -3 m :18.0878; 8.0878; 8.0878
90; 90; 90
529.043Ishii, M.; Hiraishi, J.; Yamanaka, T.
Structure and lattice vibrations of Mg-Al spinel solid solution Sample: Nonstoichiometric MgO.3Al2O3
Physics and Chemistry of Minerals, 1982, 8, 64-68
9005769 CIFCu2 OP n -3 :14.2696; 4.2696; 4.2696
90; 90; 90
77.833Hafner, S. S.; Nagel, S.
The electric field gradient at the position of copper in Cu2O and electronic charge density analysis by means of K-factors
Physics and Chemistry of Minerals, 1983, 9, 19-22

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