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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 |
| 9.520(9.28) | 100 | 2.660(33.67) | 70 | 2.540(35.31) | 60 | Cassagnaite | (Ca,Mn++)4(Fe+++,Mn+++,Al)4(OH)4(V+++,Mg,Al)2(O,OH)4(Si3O10)(SiO4)2 |
| 9.520(9.28) | 100 | 9.860(8.96) | 100 | 3.790(23.45) | 80 | Chelyabinskite | (Ca,Mg)3Si(OH)6(SO4,CO3)2•9(H2O) |
| 9.520(9.28) | 100 | 2.540(35.31) | 70 | 3.020(29.55) | 60 | Cassagnaite | (Ca,Mn++)4(Fe+++,Mn+++,Al)4(OH)4(V+++,Mg,Al)2(O,OH)4(Si3O10)(SiO4)2 |
| 9.540(9.26) | 100 | 4.790(18.51) | 100 | 2.590(34.60) | 100 | Chalcophyllite | Cu++18Al2(AsO4)3(SO4)3(OH)27•33(H2O) |
| 9.540(9.26) | 100 | 8.120(10.89) | 40 | 4.560(19.45) | 21 | Canavesite | Mg2(CO3)(HBO3)•5(H2O) |
| 9.540(9.26) | 100 | 2.530(35.45) | 70 | 3.180(28.04) | 50 | Minnesotaite | (Fe++,Mg)3Si4O10(OH)2 |
| 9.550(9.25) | 100 | 4.108(21.61) | 70 | 4.008(22.16) | 50 | IMA2008-046 | MgZr(PO4)2•4H2O |
| 9.550(9.25) | 100 | 4.008(22.16) | 70 | 4.411(20.11) | 50 | IMA2008-046 | MgZr(PO4)2•4H2O |
| 9.560(9.24) | 100 | 5.510(16.07) | 40 | 3.410(26.11) | 20 | Thaumasite | Ca3Si(CO3)(SO4)(OH)6•12(H2O) |
| 9.570(9.23) | 100 | 3.830(23.20) | 80 | 5.530(16.01) | 80 | Carraraite | Ca3Ge(OH)6(SO4)(CO3 )•12H2 O |
| 9.570(9.23) | 100 | 5.530(16.01) | 80 | 3.830(23.20) | 80 | Carraraite | Ca3Ge(OH)6(SO4)(CO3 )•12H2 O |
| 9.600(9.20) | 100 | 4.820(18.39) | 100 | 2.445(36.73) | 100 | Asbolane | (Co,Ni)1-y(Mn++++O2)2-x(OH)2-2y+2x•n(H2O) |
| 9.600(9.20) | 100 | 5.530(16.01) | 60 | 3.810(23.33) | 60 | Jouravskite | Ca3Mn++++(SO4,CO3)2(OH)6•12(H2O) |
| 9.600(9.20) | 100 | 3.684(24.14) | 90 | 3.248(27.44) | 90 | Pahasapaite | Li8(Ca,Li,K,Na)11Be24(PO4)24•38(H2O) |
| 9.600(9.20) | 100 | 9.200(9.61) | 100 | 3.900(22.78) | 70 | Bukovskyite | Fe+++2(AsO4)(SO4)(OH)•7(H2O) |
| 9.600(9.20) | 100 | 1.710(53.55) | 100 | 4.300(20.64) | 80 | Sampleite | NaCaCu5(PO4)4Cl•5(H2O) |
| 9.600(9.20) | 100 | 4.780(18.55) | 45 | 3.190(27.95) | 25 | Zussmanite | K(Fe++,Mg,Mn)13[AlSi17O42](OH)14 |
| 9.600(9.20) | 100 | 3.810(23.33) | 60 | 5.530(16.01) | 60 | Jouravskite | Ca3Mn++++(SO4,CO3)2(OH)6•12(H2O) |
| 9.600(9.20) | 100 | 3.248(27.44) | 90 | 3.684(24.14) | 90 | Pahasapaite | Li8(Ca,Li,K,Na)11Be24(PO4)24•38(H2O) |
| 9.600(9.20) | 100 | 3.040(29.36) | 100 | 1.710(53.55) | 80 | Sampleite | NaCaCu5(PO4)4Cl•5(H2O) |
| 9.630(9.18) | 100 | 2.050(44.14) | 100 | 1.066(92.54) | 100 | Freboldite | CoSe |
| 9.630(9.18) | 100 | 3.039(29.37) | 70 | 6.790(13.03) | 40 | Piypite | K2Cu2(SO4)2O |
| 9.630(9.18) | 100 | 5.910(14.98) | 46 | 2.178(41.42) | 33 | Meniaylovite | Ca4AlSi(SO4)F13•12(H2O) |
| 9.638(9.17) | 100 | 4.841(18.31) | 100 | 2.747(32.57) | 60 | Utahite | Cu5Zn3(Te++++++O4)4(OH)8•7(H2O) |
| 9.640(9.17) | 100 | 3.145(28.35) | 50 | 4.460(19.89) | 40 | Calcioandyrobertsite-1M | KCaCu5(AsO4)4[As(OH)2O2]•2(H2O) |
| 9.640(9.17) | 100 | 3.145(28.35) | 50 | 4.460(19.89) | 40 | Andyrobertsite | KCdCu5(AsO4)4[As(OH)2O2]•2(H2O) |
| 9.650(9.16) | 100 | 5.580(15.87) | 80 | 3.210(27.77) | 60 | Ettringite | Ca6Al2(SO4)3(OH)12•26(H2O) |
| 9.656(9.15) | 100 | 5.592(15.83) | 40 | 1.942(46.74) | 20 | Bentorite | Ca6(Cr,Al)2(SO4)3(OH)12•26(H2O) |
| 9.660(9.15) | 100 | 4.850(18.28) | 50 | 5.590(15.84) | 35 | Zellerite | Ca(UO2)(CO3)2•5(H2O) |
| 9.670(9.14) | 100 | 3.890(22.84) | 70 | 5.580(15.87) | 70 | Sturmanite | Ca6(Fe+++,Al,Mn++)2(SO4)2[B(OH)4](OH)12•25(H2O) |
| 9.670(9.14) | 100 | 5.580(15.87) | 70 | 3.890(22.84) | 70 | Charlesite | Ca6(Al,Si)2(SO4)2B(OH)4(OH,O)12•26(H2O) |
| 9.670(9.14) | 100 | 5.580(15.87) | 70 | 3.890(22.84) | 70 | Sturmanite | Ca6(Fe+++,Al,Mn++)2(SO4)2[B(OH)4](OH)12•25(H2O) |
| 9.670(9.14) | 100 | 3.890(22.84) | 70 | 5.580(15.87) | 70 | Charlesite | Ca6(Al,Si)2(SO4)2B(OH)4(OH,O)12•26(H2O) |
| 9.680(9.13) | 100 | 4.810(18.43) | 65 | 5.080(17.44) | 65 | Bermanite | Mn++Mn+++2(PO4)2(OH)2•4(H2O) |
| 9.680(9.13) | 100 | 5.080(17.44) | 65 | 4.810(18.43) | 65 | Bermanite | Mn++Mn+++2(PO4)2(OH)2•4(H2O) |
| 9.680(9.13) | 100 | 4.800(18.47) | 80 | 2.390(37.60) | 40 | Todorokite | (Na,Ca,K)2(Mn++++,Mn+++)6O12•3-4.5(H2O) |
| 9.680(9.13) | 100 | 2.556(35.08) | 90 | 2.793(32.02) | 70 | Coombsite | K(Mn++,Fe++,Mg)13(Si,Al)18O42(OH)14 |
| 9.690(9.12) | 100 | 4.860(18.24) | 90 | 6.460(13.70) | 90 | Sigloite | Fe+++Al2(PO4)2(OH)3•5(H2O) |
| 9.690(9.12) | 100 | 6.460(13.70) | 90 | 4.860(18.24) | 90 | Sigloite | Fe+++Al2(PO4)2(OH)3•5(H2O) |
| 9.690(9.12) | 100 | 4.860(18.24) | 90 | 3.470(25.65) | 80 | Sabugalite | HAl(UO2)4(PO4)4•16(H2O) |
| 9.700(9.11) | 100 | 4.834(18.34) | 80 | 2.556(35.08) | 70 | Leisingite | Cu(Mg,Cu,Fe,Zn)2Te++++++O6•6(H2O) |
| 9.700(9.11) | 100 | 3.220(27.68) | 80 | 2.555(35.09) | 70 | Chukhrovite-(Nd) | Ca3(Nd,Y)Al2(SO4)F13•12(H2O) |
| 9.700(9.11) | 100 | 2.555(35.09) | 80 | 5.920(14.95) | 70 | Chukhrovite-(Nd) | Ca3(Nd,Y)Al2(SO4)F13•12(H2O) |
| 9.700(9.11) | 100 | 2.556(35.08) | 80 | 2.326(38.68) | 70 | Leisingite | Cu(Mg,Cu,Fe,Zn)2Te++++++O6•6(H2O) |
| 9.704(9.11) | 100 | 5.843(15.15) | 100 | 3.139(28.41) | 90 | Dickthomssenite | Mg(V+++++2O6)•7(H2O) |
| 9.720(9.09) | 100 | 6.670(13.26) | 80 | 7.420(11.92) | 70 | Lasalite | Na2Mg2(V10O28)•20H2O |
| 9.750(9.06) | 100 | 3.208(27.79) | 90 | 3.047(29.29) | 50 | Tooeleite | Fe+++6(AsO3)4(SO4)(OH)4•4H2O |
| 9.750(9.06) | 100 | 6.350(13.93) | 30 | 9.240(9.56) | 20 | Mitryaevaite | Al5[(PO4)2[(P,S)O3(OH,O)]2F2(OH)2(H2O)8•6.48(H2O) |
| 9.750(9.06) | 100 | 5.930(14.93) | 80 | 3.220(27.68) | 70 | Chukhrovite-(Ce) | Ca3(Ce,Y)Al2(SO4)F13•10(H2O) |
| 9.750(9.06) | 100 | 3.603(24.69) | 100 | 3.816(23.29) | 90 | Amstallite | CaAl(Si,Al)4O8(OH)4•((H2O),Cl) |
| 9.770(9.04) | 100 | 3.110(28.68) | 70 | 4.870(18.20) | 50 | Lavendulan | NaCaCu5(AsO4)4Cl•5(H2O) |
| 9.770(9.04) | 100 | 1.485(62.49) | 100 | 3.170(28.13) | 100 | Brammallite | (Na,H3O)(Al,Mg,Fe)2(Si,Al)4O10[(OH)2,(H2O)] |
| 9.778(9.04) | 100 | 3.250(27.42) | 60 | 3.426(25.99) | 60 | Schieffelinite | Pb(Te++++++,S)O4•(H2O) |
| 9.778(9.04) | 100 | 3.426(25.99) | 60 | 3.250(27.42) | 60 | Schieffelinite | Pb(Te++++++,S)O4•(H2O) |
| 9.780(9.03) | 100 | 3.170(28.13) | 80 | 2.830(31.59) | 70 | Gordonite | MgAl2(PO4)2(OH)2•8(H2O) |
| 9.800(9.02) | 100 | 6.900(12.82) | 80 | 2.790(32.05) | 70 | Earlshannonite | (Mn,Fe++)Fe+++2(PO4)2(OH)2•4(H2O) |
| 9.810(9.01) | 100 | 4.905(18.07) | 43 | 3.218(27.70) | 19 | Sengierite | Cu2(UO2)2V2O8•6(H2O) |
| 9.825(8.99) | 100 | 2.947(30.30) | 60 | 5.887(15.04) | 50 | Braithwaiteite | NaCu5(Ti,Sb)2O2(AsO4)4[AsO3(OH)]2•8H2O |
| 9.830(8.99) | 100 | 3.132(28.47) | 90 | 4.925(18.00) | 60 | Zdenekite | NaPbCu++5(AsO4)4Cl•5(H2O) |
| 9.830(8.99) | 100 | 3.300(27.00) | 65 | 4.960(17.87) | 40 | Koktaite | (NH4)2Ca(SO4)2•(H2O) |
| 9.849(8.97) | 100 | 4.386(20.23) | 90 | 4.924(18.00) | 80 | Kunatite | CuFe+++2(PO4)2(OH)2•4H2O |
| 9.849(8.97) | 100 | 4.924(18.00) | 90 | 6.892(12.83) | 80 | Kunatite | CuFe+++2(PO4)2(OH)2•4H2O |
| 9.850(8.97) | 100 | 3.490(25.50) | 90 | 4.950(17.90) | 80 | Saleeite | Mg(UO2)2(PO4)2•10(H2O) |
| 9.860(8.96) | 100 | 6.570(13.47) | 80 | 3.200(27.86) | 80 | Ushkovite | MgFe+++2(PO4)2(OH)2•8(H2O) |
| 9.860(8.96) | 100 | 3.200(27.86) | 80 | 6.570(13.47) | 80 | Ushkovite | MgFe+++2(PO4)2(OH)2•8(H2O) |
| 9.860(8.96) | 100 | 9.520(9.28) | 100 | 3.790(23.45) | 80 | Chelyabinskite | (Ca,Mg)3Si(OH)6(SO4,CO3)2•9(H2O) |
| 9.890(8.93) | 100 | 6.400(13.83) | 65 | 4.930(17.98) | 30 | Paravauxite | Fe++Al2(PO4)2(OH)2•8(H2O) |
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