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Minerals Arranged by X-Ray Powder Diffraction
See Help on X-Ray Diffraction.
Powder X-ray Diffraction (XRD) is one of the primary techniques used by mineralogists and solid state chemists to examine the physico-chemical make-up of unknown materials. This data is represented in a collection of single-phase X-ray powder diffraction patterns for the three most intense D values in the form of tables of interplanar spacings (D), relative intensities (I/Io), mineral name and chemical formulae
The XRD technique takes a sample of the material and places a powdered sample in a holder, then the sample is illuminated with x-rays of a fixed wave-length and the intensity of the reflected radiation is recorded using a goniometer. This data is then analyzed for the reflection angle to calculate the inter-atomic spacing (D value in Angstrom units - 10-8 cm). The intensity(I) is measured to discriminate (using I ratios) the various D spacings and the results are compared to this table to identify possible matches. Note: 2 theta (Θ) angle calculated from the Bragg Equation, 2 Θ = 2(arcsin(n λ/(2d)) where n=1;
For more information about this technique, see X-Ray Analysis of a Solid or take an internet course at Birkbeck College On-line Courses. Many thanks to Frederic Biret for these data.
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| D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
| 8.840(1-) | 100 | 2.772(32.27) | 80 | 5.620(15.76) | 50 | Arseniosiderite | Ca2Fe+++3(AsO4)3O2•3(H2O) |
| 8.840(1-) | 100 | 3.170(28.13) | 80 | 3.380(26.35) | 70 | Tengchongite | CaU++++++6Mo++++++2O25•12(H2O) |
| 8.840(1-) | 100 | 4.430(20.03) | 40 | 1.540(60.02) | 20 | Honessite | Ni6Fe+++2(SO4)(OH)16•4(H2O) |
| 8.840(1-) | 100 | 1.540(60.02) | 40 | 2.620(34.20) | 20 | Honessite | Ni6Fe+++2(SO4)(OH)16•4(H2O) |
| 8.850(9.99) | 100 | 2.530(35.45) | 50 | 2.800(31.94) | 50 | Schollhornite | Na0.3CrS2•(H2O) |
| 8.850(9.99) | 100 | 2.800(31.94) | 50 | 2.530(35.45) | 50 | Schollhornite | Na0.3CrS2•(H2O) |
| 8.860(9.98) | 100 | 3.730(23.84) | 100 | 5.570(15.90) | 80 | Metazeunerite | Cu(UO2)2(AsO4)2•8(H2O) |
| 8.870(9.96) | 100 | 2.998(29.78) | 80 | 6.290(14.07) | 60 | Botryogen | MgFe+++(SO4)2(OH)•7(H2O) |
| 8.890(9.94) | 100 | 7.830(11.29) | 100 | 1.481(62.68) | 80 | Ankinovichite | (Ni,Zn)Al4(VO3)2(OH)12(H2O)2.5 |
| 8.900(9.93) | 100 | 2.720(32.90) | 100 | 3.290(27.08) | 90 | Kolfanite | Ca2Fe+++3O2(AsO4)3•2(H2O) |
| 8.900(9.93) | 100 | 4.470(19.85) | 90 | 2.550(35.16) | 60 | Zincowoodwardite-1T | [Zn1BxAlx(OH)2][(SO4)x/2•n(H2O)], x = 0.33, n . 0.96 |
| 8.900(9.93) | 100 | 3.231(27.58) | 80 | 8.410(10.51) | 60 | Allanpringite | Fe3(PO4)2(OH)3•5H2O |
| 8.906(9.92) | 100 | 7.424(11.91) | 80 | 10.565(8.36) | 80 | Obradovicite | H4(K,Na)Cu++Fe+++2(AsO4)(MoO4)5•12(H2O) |
| 8.906(9.92) | 100 | 10.565(8.36) | 80 | 7.424(11.91) | 80 | Obradovicite | H4(K,Na)Cu++Fe+++2(AsO4)(MoO4)5•12(H2O) |
| 8.910(9.92) | 100 | 7.300(12.11) | 50 | 11.490(7.69) | 40 | Betpakdalite | [Mg(H2O)6]Ca2(H2O)13[Mo++++++8As+++++2Fe+++3O36(OH)]•4(H2O) |
| 8.920(9.91) | 100 | 3.730(23.84) | 65 | 3.250(27.42) | 55 | Meta-ankoleite | K2(UO2)2(PO4)2•6(H2O) |
| 8.960(9.86) | 100 | 3.251(27.41) | 50 | 2.990(29.86) | 50 | Sabinaite | (Na,Ca)4Zr2Ti(CO3)4O4 |
| 8.960(9.86) | 100 | 2.990(29.86) | 50 | 3.251(27.41) | 50 | Sabinaite | (Na,Ca)4Zr2Ti(CO3)4O4 |
| 8.972(9.85) | 100 | 4.476(19.82) | 70 | 2.362(38.07) | 40 | Kuzelite | Ca4Al2.4(OH)12.8(SO4)•6(H2O) |
| 8.977(9.84) | 100 | 7.791(11.35) | 87 | 4.696(18.88) | 48 | Aluminite | Al2(SO4)(OH)4•7(H2O) |
| 9.000(9.82) | 100 | 8.740(10.11) | 100 | 4.470(19.85) | 50 | Hydroscarbroite | Al14(CO3)3(OH)36•n(H2O) |
| 9.000(9.82) | 100 | 3.133(28.47) | 80 | 4.700(18.87) | 50 | Ranunculite | HAl(UO2)(PO4)(OH)3•4(H2O) |
| 9.010(9.81) | 100 | 5.240(16.91) | 80 | 3.240(27.51) | 60 | Zincobotryogen | (Zn,Mg,Mn)Fe+++(SO4)2(OH)•7(H2O) |
| 9.020(9.80) | 100 | 3.800(23.39) | 100 | 3.260(27.33) | 90 | Uramphite | (NH4)(UO2)(PO4)•3(H2O) |
| 9.020(9.80) | 100 | 5.320(16.65) | 80 | 4.350(20.40) | 60 | Strunzite | Mn++Fe+++2(PO4)2(OH)2•6(H2O) |
| 9.030(9.79) | 100 | 3.760(23.64) | 60 | 7.200(12.28) | 40 | Klyuchevskite-Duplicate | K3Cu3Fe+++O2(SO4)4 |
| 9.030(9.79) | 100 | 3.010(29.65) | 70 | 2.640(33.93) | 55 | Deerite | (Fe++,Mn)6(Fe+++,Al)3Si6O20(OH)5 |
| 9.030(9.79) | 100 | 3.800(23.39) | 90 | 3.270(27.25) | 80 | Chernikovite | (H3O)2(UO2)2(PO4)2•6(H2O) |
| 9.030(9.79) | 100 | 4.040(21.98) | 45 | 3.030(29.45) | 25 | Stellerite | CaAl2Si7O18•7(H2O) |
| 9.030(9.79) | 100 | 4.490(19.76) | 90 | 3.613(24.62) | 40 | Kambaldaite | NaNi4(CO3)3(OH)3•3(H2O) |
| 9.030(9.79) | 100 | 3.760(23.64) | 60 | 7.200(12.28) | 40 | Klyuchevskite | K3Cu3(Fe+++,Al)O2(SO4)4 |
| 9.040(9.78) | 100 | 4.070(21.82) | 95 | 3.040(29.36) | 70 | Stilbite-Ca | NaCa4[Al8Si28O72]•n(H2O) (n=28-32) |
| 9.040(9.78) | 100 | 9.150(9.66) | 84 | 3.781(23.51) | 37 | Alumoklyuchevskite | K3Cu3AlO2(SO4)4 |
| 9.040(9.78) | 100 | 11.700(7.55) | 80 | 5.830(15.18) | 80 | Slavikite | NaMg2Fe+++5(SO4)7(OH)6•33(H2O) |
| 9.040(9.78) | 100 | 5.830(15.18) | 80 | 11.700(7.55) | 80 | Slavikite | NaMg2Fe+++5(SO4)7(OH)6•33(H2O) |
| 9.040(9.78) | 100 | 4.070(21.82) | 95 | 3.040(29.36) | 70 | Stilbite-Na | Na3Ca3[Al8Si28O72]•n(H2O) (n=28-32) |
| 9.050(9.77) | 100 | 4.440(19.98) | 80 | 1.920(47.30) | 80 | Seelite-2 | Mg(UO2)(AsO3)x(AsO4)1-x•7(H2O) (x=0.7) |
| 9.050(9.77) | 100 | 1.920(47.30) | 80 | 4.440(19.98) | 80 | Seelite-1 | Mg[(UO2)(AsO3)x(AsO4)1-x]2•7(H2O) |
| 9.050(9.77) | 100 | 1.920(47.30) | 80 | 4.440(19.98) | 80 | Seelite-2 | Mg(UO2)(AsO3)x(AsO4)1-x•7(H2O) (x=0.7) |
| 9.050(9.77) | 100 | 4.440(19.98) | 80 | 1.920(47.30) | 80 | Seelite-1 | Mg[(UO2)(AsO3)x(AsO4)1-x]2•7(H2O) |
| 9.060(9.75) | 100 | 4.000(22.21) | 70 | 3.480(25.58) | 45 | Mordenite | (Ca,Na2,K2)Al2Si10O24•7(H2O) |
| 9.060(9.75) | 100 | 5.580(15.87) | 80 | 3.580(24.85) | 80 | Ferricopiapite | Fe+++2/3Fe+++4(SO4)6(OH)2•20(H2O) |
| 9.060(9.75) | 100 | 3.580(24.85) | 80 | 5.580(15.87) | 80 | Ferricopiapite | Fe+++2/3Fe+++4(SO4)6(OH)2•20(H2O) |
| 9.070(9.74) | 100 | 10.700(8.26) | 100 | 3.030(29.45) | 30 | Wightmanite | Mg5(BO3)O(OH)5•2(H2O) |
| 9.072(9.74) | 100 | 3.095(28.82) | 90 | 3.126(28.53) | 70 | Hubeite | Ca2Mn++Fe+++Si4O12(OH)(H2O)2 |
| 9.072(9.74) | 100 | 8.238(10.73) | 90 | 3.095(28.82) | 70 | Hubeite | Ca2Mn++Fe+++Si4O12(OH)(H2O)2 |
| 9.080(9.73) | 100 | 3.787(23.47) | 80 | 3.150(28.31) | 70 | Mazzite-Na | Na8Al8Si28O72•30H2O |
| 9.080(9.73) | 100 | 18.200(4.85) | 80 | 2.018(44.88) | 40 | Metavoltine | K4Na4(Fe++,Zn)Fe+++6(SO4)12O2•20(H2O) |
| 9.080(9.73) | 100 | 3.150(28.31) | 80 | 5.950(14.88) | 70 | Mazzite-Na | Na8Al8Si28O72•30H2O |
| 9.095(9.72) | 100 | 2.915(30.64) | 92 | 3.972(22.36) | 76 | Alflarsenite | NaCa2Be3Si4O13(OH)•2H2O |
| 9.100(9.71) | 100 | 4.054(21.91) | 100 | 3.028(29.47) | 80 | Barrerite | (Na,K,Ca)2Al2Si7O18•6(H2O) |
| 9.100(9.71) | 100 | 3.319(26.84) | 90 | 6.640(13.32) | 65 | Nekoite | Ca3Si6O15•7(H2O) |
| 9.100(9.71) | 100 | 3.450(25.80) | 80 | 3.480(25.58) | 65 | Kingite | Al3(PO4)2(F,OH)2•8(H2O,OH) |
| 9.100(9.71) | 100 | 3.794(23.43) | 50 | 4.695(18.89) | 36 | Metazellerite | Ca(UO2)(CO3)2•3(H2O) |
| 9.120(9.69) | 100 | 5.036(17.60) | 100 | 3.852(23.07) | 100 | Sieleckiite | Cu3Al4(PO4)2(OH)12•2(H2O) |
| 9.120(9.69) | 100 | 2.807(31.85) | 35 | 6.620(13.36) | 20 | Probertite | NaCaB5O7(OH)4•3(H2O) |
| 9.130(9.68) | 100 | 3.046(29.30) | 80 | 7.090(12.47) | 26 | Pseudojohannite | Cu6.5[(UO2)4O4(SO4)2]2(OH)5•25H2O |
| 9.130(9.68) | 100 | 4.566(19.42) | 80 | 3.046(29.30) | 26 | Pseudojohannite | Cu6.5[(UO2)4O4(SO4)2]2(OH)5•25H2O |
| 9.140(9.67) | 100 | 3.840(23.14) | 80 | 3.340(26.67) | 80 | Abernathyite | K(UO2)(AsO4)•4(H2O) |
| 9.140(9.67) | 100 | 4.556(19.47) | 60 | 4.420(20.07) | 60 | Haiweeite | Ca[(UO2)2Si5O12(OH)2]•3(H2O) |
| 9.140(9.67) | 100 | 3.340(26.67) | 80 | 3.840(23.14) | 80 | Abernathyite | K(UO2)(AsO4)•4(H2O) |
| 9.140(9.67) | 100 | 4.420(20.07) | 60 | 4.556(19.47) | 60 | Haiweeite | Ca[(UO2)2Si5O12(OH)2]•3(H2O) |
| 9.140(9.67) | 100 | 9.340(9.46) | 100 | 4.760(18.63) | 27 | Chistyakovaite-(Y) | Al(UO2)2(AsO4)2(F,OH)•6.5H2O |
| 9.150(9.66) | 100 | 2.810(31.82) | 50 | 4.600(19.28) | 40 | Jahnsite-(CaMnFe) | CaMn++Fe++2Fe+++2(PO4)4(OH)2•8(H2O) |
| 9.160(9.65) | 100 | 2.840(31.47) | 80 | 2.920(30.59) | 80 | Inesite | Ca2Mn7Si10O28(OH)2•5(H2O) |
| 9.160(9.65) | 100 | 2.907(30.73) | 60 | 2.804(31.89) | 50 | Willhendersonite | KCaAl3Si3O12•5(H2O) |
| 9.160(9.65) | 100 | 2.920(30.59) | 80 | 2.840(31.47) | 80 | Inesite | Ca2Mn7Si10O28(OH)2•5(H2O) |
| 9.177(9.63) | 100 | 4.588(19.33) | 32 | 3.059(29.17) | 15 | Lemanskiite | NaCaCu5(AsO4)4Cl•5H2O |
| 9.180(9.63) | 100 | 7.910(11.18) | 80 | 3.250(27.42) | 65 | Howieite | Na(Fe++,Mn++)10(Fe,Al)2Si12O31(OH)13 |
| 9.183(9.62) | 100 | 1.074(91.65) | 21 | 3.256(27.37) | 16 | Menezesite | Ba2MgZr4(BaNb12O42)•12H2O |
| 9.200(9.61) | 100 | 5.580(15.87) | 80 | 18.100(4.88) | 80 | Aluminocopiapite | Al2/3Fe+++4(SO4)6O(OH)2•20(H2O) |
| 9.200(9.61) | 100 | 5.060(17.51) | 60 | 5.410(16.37) | 50 | Sinkankasite | H2MnAl(PO4)2(OH)•6(H2O) |
| 9.200(9.61) | 100 | 18.100(4.88) | 80 | 5.580(15.87) | 80 | Aluminocopiapite | Al2/3Fe+++4(SO4)6O(OH)2•20(H2O) |
| 9.200(9.61) | 100 | 9.600(9.20) | 100 | 3.900(22.78) | 70 | Bukovskyite | Fe+++2(AsO4)(SO4)(OH)•7(H2O) |
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