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Fluorapatite |
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McCubbin F M, Mason H E, Park H, Phillips B L, Parise J B, Nekvasil H, Lindsley D H |
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American Mineralogist 93 (2008) 210-216 |
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Synthesis and characterization of low-OH- fluor-chlorapatite: a single-crystal |
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XRD and NMR spectroscopic study |
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Locality: synthetic |
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_database_code_amcsd 0004514 |
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9.441 9.441 6.835 90 90 120 P6_3/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 2/3 1/3 .00159 .00377 .0053 .0053 .0008 .00263 0 0 |
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Ca2 -.00483 .24902 .25 .00676 .0025 .0120 .0021 .0009 0 0 |
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Cl 0 0 .126 .2 .029 .0022 .0022 .081 .0011 0 0 |
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P .36958 .40062 .25 .00156 .0024 .0024 .0008 .0019 0 0 |
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F 0 0 .25 .5 .019 .007 .007 .042 .0035 0 0 |
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O1 .4860 .3313 .25 .0044 .0033 .0068 .0056 .0044 0 0 |
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O2 .4654 .5889 .25 .0076 .0069 .0026 .0132 .0023 0 0 |
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O3 .2593 .3455 .0695 .0112 .0095 .0229 .0074 .0128 -.0059 -.0093 |
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OH4 0 0 .41 .05 .26 |
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Apatite-(CaF) |
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McCubbin F M, Mason H E, Park H, Phillips B L, Parise J B, Nekvasil H, Lindsley D H |
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American Mineralogist 93 (2008) 210-216 |
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Synthesis and characterization of low-OH- fluor-chlorapatite: a single-crystal |
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XRD and NMR spectroscopic study |
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Locality: synthetic |
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_database_code_amcsd 0004515 |
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9.441 9.441 6.835 90 90 120 P6_3/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 2/3 1/3 .00159 .00377 .0053 .0053 .0008 .00263 0 0 |
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Ca2 -.00483 .24902 .25 .00676 .0025 .0120 .0021 .0009 0 0 |
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Cl 0 0 .126 .2 .029 .0022 .0022 .081 .0011 0 0 |
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P .36958 .40062 .25 .00156 .0024 .0024 .0008 .0019 0 0 |
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F 0 0 .25 .5 .019 .007 .007 .042 .0035 0 0 |
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O1 .4860 .3313 .25 .0044 .0033 .0068 .0056 .0044 0 0 |
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O2 .4654 .5889 .25 .0076 .0069 .0026 .0132 .0023 0 0 |
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O3 .2593 .3455 .0695 .0112 .0095 .0229 .0074 .0128 -.0059 -.0093 |
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OH4 0 0 .41 .05 .26 |
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View JMOL 3-D Structure
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Sr2B5O9OH.H2O |
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Barbier J, Park H |
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The Canadian Mineralogist 39 (2001) 129-135 |
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Sr2B5O9OH.H2O, a synthetic borate related to hilgardite |
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_database_code_amcsd 0005706 |
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10.2571 8.0487 6.4043 90 127.860 90 C2 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sr .20462 .04088 .91489 .00867 .00930 .00911 .00679 -.0025 .00453 -.0014 |
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B1 .5739 .3260 .2538 .0061 .0066 .0069 .0044 .0007 .0031 .0002 |
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B2 .5 .1593 .5 .0063 .007 .005 .007 0 .004 0 |
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B3 .2677 .0730 .5085 .0061 .0080 .0035 .0055 -.0013 .0036 -.0004 |
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O1 .6439 .0518 .5850 .0073 .0085 .0060 .0073 .0026 .0049 .0010 |
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O2 .1464 .9662 .4529 .0085 .0085 .0087 .0085 -.0030 .0053 -.0027 |
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O3 .5536 .2515 .7371 .0067 .0059 .0082 .0046 .0011 .0026 -.0007 |
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O4 .5 .4043 0 .0068 .0087 .0048 .0051 0 .0033 0 |
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O5 .2997 .2020 .6758 .0088 .0093 .0096 .0087 -.0028 .0062 -.0034 |
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O6 .4329 .8154 .1089 .0150 .0111 .0147 .0150 -.0006 .0059 .0000 |
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H .526 .821 .289 .020 |
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PbGaBO4 |
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Park H, Barbier J |
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Acta Crystallographica E57 (2001) i82-i84 |
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PbGaBO4, an orthoborate with a new structure-type |
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_database_code_amcsd 0010362 |
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6.9944 5.8925 8.2495 90 90 90 Pnma |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Pb .06200 .25 .358777 .00640 .00665 .00891 .00364 0 .00060 0 |
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Ga 0 0 0 .00398 .00501 .00327 .00366 .00093 -.00066 -.00089 |
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B -.2237 .25 -.2639 .0036 .0034 .0045 .0030 0 -.0012 0 |
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O3 -.1783 -.25 .0921 .0069 .0085 .0073 .0048 0 .0040 0 |
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O1 .1013 -.25 -.1146 .0041 .0025 .0038 .0059 0 .0005 0 |
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O2 .1717 -.0466 .1922 .0073 .0103 .0052 .0064 .0016 -.0051 -.0001 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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