|
Fluorapatite |
 |
Fleet M E, Pan Y |
 |
American Mineralogist 80 (1995) 329-335 |
|
Site preference of rare earth elements in fluorapatite |
|
Sample: La-FAp |
|
_database_code_amcsd 0001723 |
|
9.4123 9.4123 6.9080 90 90 120 P6_3/m |
|
atom x y z occ Biso |
|
Ca1 2/3 1/3 .0006 .888 .88 |
|
Na1 2/3 1/3 .0006 .089 .88 |
|
La1 2/3 1/3 .0006 .023 .88 |
|
Ca2 .98989 .24018 .25 .907 .804 |
|
La2 .98989 .24018 .25 .093 .804 |
|
P .36898 .39808 .25 .952 .538 |
|
Si .36898 .39808 .25 .048 .538 |
|
O1 .4847 .3268 .25 1.01 |
|
O2 .4663 .5872 .25 1.19 |
|
O3 .2568 .3406 .0716 1.40 |
|
F 0 0 .25 3.05 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluorapatite |
|
Fleet M E, Pan Y |
|
American Mineralogist 80 (1995) 329-335 |
|
Site preference of rare earth elements in fluorapatite |
|
Sample: Nd-FAp |
|
_database_code_amcsd 0001724 |
|
9.3979 9.3979 6.8997 90 90 120 P6_3/m |
|
atom x y z occ Biso |
|
Ca1 2/3 1/3 .0000 .901 .89 |
|
Na1 2/3 1/3 .0000 .061 .89 |
|
Nd1 2/3 1/3 .0000 .038 .89 |
|
Ca2 .99024 .24085 .25 .843 .75 |
|
Na2 .99024 .24085 .25 .045 .75 |
|
Nd2 .99024 .24085 .25 .111 .75 |
|
P .3687 .3975 .25 .947 .52 |
|
Si .3687 .3975 .25 .053 .52 |
|
O1 .4830 .3253 .25 .96 |
|
O2 .4661 .5859 .25 1.23 |
|
O3 .2561 .3406 .0714 1.40 |
|
F 0 0 .25 2.94 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluorapatite |
|
Fleet M E, Pan Y |
|
American Mineralogist 80 (1995) 329-335 |
|
Site preference of rare earth elements in fluorapatite |
|
Sample: Gd-FAp |
|
_database_code_amcsd 0001725 |
|
9.3853 9.3853 6.8876 90 90 120 P6_3/m |
|
atom x y z occ Biso |
|
Ca1 2/3 1/3 .00033 .886 .80 |
|
Na1 2/3 1/3 .00033 .076 .80 |
|
Gd1 2/3 1/3 .00033 .038 .80 |
|
Ca2 .99174 .24226 .25 .916 .643 |
|
Na2 .99174 .24226 .25 .007 .643 |
|
Gd2 .99174 .24226 .25 .077 .643 |
|
P .36842 .39729 .25 .953 .465 |
|
Si .36842 .39729 .25 .047 .465 |
|
O1 .4836 .3251 .25 .93 |
|
O2 .4670 .5873 .25 1.08 |
|
O3 .2560 .3406 .0707 1.30 |
|
F 0 0 .25 2.46 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluorapatite |
|
Fleet M E, Pan Y |
|
American Mineralogist 80 (1995) 329-335 |
|
Site preference of rare earth elements in fluorapatite |
|
Sample: Dy-FAp |
|
_database_code_amcsd 0001726 |
|
9.3784 9.3784 6.8832 90 90 120 P6_3/m |
|
atom x y z occ Biso |
|
Ca1 2/3 1/3 .00049 .882 .79 |
|
Na1 2/3 1/3 .00049 .079 .79 |
|
Dy1 2/3 1/3 .00049 .039 .79 |
|
Ca2 .99242 .24285 .25 .94 .614 |
|
Dy2 .99242 .24285 .25 .06 .614 |
|
P .36839 .39744 .25 .958 .434 |
|
Si .36839 .39744 .25 .04 .434 |
|
O1 .4838 .3252 .25 .88 |
|
O2 .4669 .5874 .25 1.01 |
|
O3 .2561 .3408 .0711 1.15 |
|
F 0 0 .25 2.28 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Apatite-(CaF) |
|
Fleet M E, Pan Y |
|
American Mineralogist 80 (1995) 329-335 |
|
Site preference of rare earth elements in fluorapatite |
|
Sample: La-FAp |
|
_database_code_amcsd 0001727 |
|
9.4123 9.4123 6.9080 90 90 120 P6_3/m |
|
atom x y z occ Biso |
|
Ca1 2/3 1/3 .0006 .888 .88 |
|
Na1 2/3 1/3 .0006 .089 .88 |
|
La1 2/3 1/3 .0006 .023 .88 |
|
Ca2 .98989 .24018 .25 .907 .804 |
|
La2 .98989 .24018 .25 .093 .804 |
|
P .36898 .39808 .25 .952 .538 |
|
Si .36898 .39808 .25 .048 .538 |
|
O1 .4847 .3268 .25 1.01 |
|
O2 .4663 .5872 .25 1.19 |
|
O3 .2568 .3406 .0716 1.40 |
|
F 0 0 .25 3.05 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Apatite-(CaF) |
|
Fleet M E, Pan Y |
|
American Mineralogist 80 (1995) 329-335 |
|
Site preference of rare earth elements in fluorapatite |
|
Sample: Nd-FAp |
|
_database_code_amcsd 0001728 |
|
9.3979 9.3979 6.8997 90 90 120 P6_3/m |
|
atom x y z occ Biso |
|
Ca1 2/3 1/3 .0000 .901 .89 |
|
Na1 2/3 1/3 .0000 .061 .89 |
|
Nd1 2/3 1/3 .0000 .038 .89 |
|
Ca2 .99024 .24085 .25 .843 .75 |
|
Na2 .99024 .24085 .25 .045 .75 |
|
Nd2 .99024 .24085 .25 .111 .75 |
|
P .3687 .3975 .25 .947 .52 |
|
Si .3687 .3975 .25 .053 .52 |
|
O1 .4830 .3253 .25 .96 |
|
O2 .4661 .5859 .25 1.23 |
|
O3 .2561 .3406 .0714 1.40 |
|
F 0 0 .25 2.94 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Apatite-(CaF) |
|
Fleet M E, Pan Y |
|
American Mineralogist 80 (1995) 329-335 |
|
Site preference of rare earth elements in fluorapatite |
|
Sample: Gd-FAp |
|
_database_code_amcsd 0001729 |
|
9.3853 9.3853 6.8876 90 90 120 P6_3/m |
|
atom x y z occ Biso |
|
Ca1 2/3 1/3 .00033 .886 .80 |
|
Na1 2/3 1/3 .00033 .076 .80 |
|
Gd1 2/3 1/3 .00033 .038 .80 |
|
Ca2 .99174 .24226 .25 .916 .643 |
|
Na2 .99174 .24226 .25 .007 .643 |
|
Gd2 .99174 .24226 .25 .077 .643 |
|
P .36842 .39729 .25 .953 .465 |
|
Si .36842 .39729 .25 .047 .465 |
|
O1 .4836 .3251 .25 .93 |
|
O2 .4670 .5873 .25 1.08 |
|
O3 .2560 .3406 .0707 1.30 |
|
F 0 0 .25 2.46 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Apatite-(CaF) |
|
Fleet M E, Pan Y |
|
American Mineralogist 80 (1995) 329-335 |
|
Site preference of rare earth elements in fluorapatite |
|
Sample: Dy-FAp |
|
_database_code_amcsd 0001730 |
|
9.3784 9.3784 6.8832 90 90 120 P6_3/m |
|
atom x y z occ Biso |
|
Ca1 2/3 1/3 .00049 .882 .79 |
|
Na1 2/3 1/3 .00049 .079 .79 |
|
Dy1 2/3 1/3 .00049 .039 .79 |
|
Ca2 .99242 .24285 .25 .94 .614 |
|
Dy2 .99242 .24285 .25 .06 .614 |
|
P .36839 .39744 .25 .958 .434 |
|
Si .36839 .39744 .25 .04 .434 |
|
O1 .4838 .3252 .25 .88 |
|
O2 .4669 .5874 .25 1.01 |
|
O3 .2561 .3408 .0711 1.15 |
|
F 0 0 .25 2.28 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluorapatite |
|
Fleet M E, Pan Y |
|
American Mineralogist 82 (1997) 870-877 |
|
Site preference of rare earth elements in fluorapatite: Binary (LREE+HREE)- |
|
substituted crystals |
|
Sample: La,Gd-FAp |
|
_database_code_amcsd 0001934 |
|
9.3940 9.3940 6.8967 90 90 120 P6_3/m |
|
atom x y z Biso |
|
Ca1 2/3 1/3 .00040 .81 |
|
Ca2 .99093 .24106 .25 .703 |
|
P .36875 .39774 .25 .475 |
|
O1 .4838 .3256 .25 .93 |
|
O2 .4667 .5869 .25 1.11 |
|
O3 .2561 .3405 .0715 1.31 |
|
F 0 0 .25 2.46 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluorapatite |
|
Fleet M E, Pan Y |
|
American Mineralogist 82 (1997) 870-877 |
|
Site preference of rare earth elements in fluorapatite: Binary (LREE+HREE)- |
|
substituted crystals |
|
Sample: Ce,Dy-FAp |
|
_database_code_amcsd 0001935 |
|
9.3874 9.3874 6.8920 90 90 120 P6_3/m |
|
atom x y z Biso |
|
Ca1 2/3 1/3 .0007 .81 |
|
Ca2 .99103 .24124 .25 .675 |
|
P .36863 .39783 .25 .480 |
|
O1 .4845 .3257 .25 .94 |
|
O2 .4665 .5865 .25 1.08 |
|
O3 .2563 .3408 .0713 1.30 |
|
F 0 0 .25 2.32 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluorapatite |
|
Fleet M E, Pan Y |
|
American Mineralogist 82 (1997) 870-877 |
|
Site preference of rare earth elements in fluorapatite: Binary (LREE+HREE)- |
|
substituted crystals |
|
Sample: Pr,Er-FAp |
|
_database_code_amcsd 0001936 |
|
9.3845 9.3845 6.8901 90 90 120 P6_3/m |
|
atom x y z Biso |
|
Ca1 2/3 1/3 .00067 .81 |
|
Ca2 .99179 .24187 .25 .666 |
|
P .36854 .39757 .25 .485 |
|
O1 .4839 .3258 .25 .93 |
|
O2 .4670 .5876 .25 1.09 |
|
O3 .2564 .3406 .0710 1.25 |
|
F 0 0 .25 2.26 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluorapatite |
|
Fleet M E, Pan Y |
|
American Mineralogist 82 (1997) 870-877 |
|
Site preference of rare earth elements in fluorapatite: Binary (LREE+HREE)- |
|
substituted crystals |
|
Sample: Eu,Lu-FAp |
|
_database_code_amcsd 0001937 |
|
9.3812 9.3812 6.8867 90 90 120 P6_3/m |
|
atom x y z Biso |
|
Ca1 2/3 1/3 .0007 .80 |
|
Ca2 .99206 .24255 .25 .630 |
|
P .36854 .39764 .25 .492 |
|
O1 .4843 .3258 .25 .95 |
|
O2 .4665 .5870 .25 1.17 |
|
O3 .2566 .3414 .0706 1.16 |
|
F 0 0 .25 2.57 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Apatite-(CaF) |
|
Fleet M E, Pan Y |
|
American Mineralogist 82 (1997) 870-877 |
|
Site preference of rare earth elements in fluorapatite: Binary (LREE+HREE)- |
|
substituted crystals |
|
Sample: La,Gd-FAp |
|
_database_code_amcsd 0001938 |
|
9.3940 9.3940 6.8967 90 90 120 P6_3/m |
|
atom x y z Biso |
|
Ca1 2/3 1/3 .00040 .81 |
|
Ca2 .99093 .24106 .25 .703 |
|
P .36875 .39774 .25 .475 |
|
O1 .4838 .3256 .25 .93 |
|
O2 .4667 .5869 .25 1.11 |
|
O3 .2561 .3405 .0715 1.31 |
|
F 0 0 .25 2.46 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Apatite-(CaF) |
|
Fleet M E, Pan Y |
|
American Mineralogist 82 (1997) 870-877 |
|
Site preference of rare earth elements in fluorapatite: Binary (LREE+HREE)- |
|
substituted crystals |
|
Sample: Ce,Dy-FAp |
|
_database_code_amcsd 0001939 |
|
9.3874 9.3874 6.8920 90 90 120 P6_3/m |
|
atom x y z Biso |
|
Ca1 2/3 1/3 .0007 .81 |
|
Ca2 .99103 .24124 .25 .675 |
|
P .36863 .39783 .25 .480 |
|
O1 .4845 .3257 .25 .94 |
|
O2 .4665 .5865 .25 1.08 |
|
O3 .2563 .3408 .0713 1.30 |
|
F 0 0 .25 2.32 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Apatite-(CaF) |
|
Fleet M E, Pan Y |
|
American Mineralogist 82 (1997) 870-877 |
|
Site preference of rare earth elements in fluorapatite: Binary (LREE+HREE)- |
|
substituted crystals |
|
Sample: Pr,Er-FAp |
|
_database_code_amcsd 0001940 |
|
9.3845 9.3845 6.8901 90 90 120 P6_3/m |
|
atom x y z Biso |
|
Ca1 2/3 1/3 .00067 .81 |
|
Ca2 .99179 .24187 .25 .666 |
|
P .36854 .39757 .25 .485 |
|
O1 .4839 .3258 .25 .93 |
|
O2 .4670 .5876 .25 1.09 |
|
O3 .2564 .3406 .0710 1.25 |
|
F 0 0 .25 2.26 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Apatite-(CaF) |
|
Fleet M E, Pan Y |
|
American Mineralogist 82 (1997) 870-877 |
|
Site preference of rare earth elements in fluorapatite: Binary (LREE+HREE)- |
|
substituted crystals |
|
Sample: Eu,Lu-FAp |
|
_database_code_amcsd 0001941 |
|
9.3812 9.3812 6.8867 90 90 120 P6_3/m |
|
atom x y z Biso |
|
Ca1 2/3 1/3 .0007 .80 |
|
Ca2 .99206 .24255 .25 .630 |
|
P .36854 .39764 .25 .492 |
|
O1 .4843 .3258 .25 .95 |
|
O2 .4665 .5870 .25 1.17 |
|
O3 .2566 .3414 .0706 1.16 |
|
F 0 0 .25 2.57 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Chlorapatite |
|
Fleet M E, Liu X, Pan Y |
|
American Mineralogist 85 (2000) 1437-1446 |
|
Rare-earth elements in chlorapatite [Ca10(PO4)6(Cl)2]: |
|
Uptake, site preference, and degradation of monoclinic structure |
|
Sample: La-ClAp |
|
_database_code_amcsd 0002516 |
|
9.6499 9.6499 6.7725 90 90 120 P6_3/m |
|
atom x y z occ Biso |
|
Ca1 2/3 1/3 .00347 .963 1.26 |
|
Na1 2/3 1/3 .00347 .025 1.26 |
|
La1 2/3 1/3 .00347 .0126 1.26 |
|
Ca2 .00393 .25895 .25 .991 1.17 |
|
La2 .00393 .25895 .25 .0089 1.17 |
|
P .37530 .40780 .25 .97 |
|
O1 .4917 .3437 .25 1.37 |
|
O2 .4659 .5926 .25 1.41 |
|
O3 .2673 .3536 .0677 1.80 |
|
Cl 0 0 .4448 1.73 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Chlorapatite |
|
Fleet M E, Liu X, Pan Y |
|
American Mineralogist 85 (2000) 1437-1446 |
|
Rare-earth elements in chlorapatite [Ca10(PO4)6(Cl)2]: |
|
Uptake, site preference, and degradation of monoclinic structure |
|
Sample: Nd-ClAp |
|
_database_code_amcsd 0002517 |
|
9.6474 9.6474 6.7747 90 90 120 P6_3/m |
|
atom x y z occ Biso |
|
Ca1 2/3 1/3 .0028 .983 1.13 |
|
Nd1 2/3 1/3 .0028 .0172 1.13 |
|
Ca2 .00310 .25786 .25 .952 1.21 |
|
Na2 .00310 .25786 .25 .029 1.21 |
|
Nd2 .00310 .25786 .25 .0191 1.21 |
|
P .37501 .4074 .25 1.06 |
|
O1 .4916 .3429 .25 1.51 |
|
O2 .4659 .5933 .25 1.52 |
|
O3 .2667 .3529 .0678 1.97 |
|
Cl 0 0 .4480 2.23 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Chlorapatite |
|
Fleet M E, Liu X, Pan Y |
|
American Mineralogist 85 (2000) 1437-1446 |
|
Rare-earth elements in chlorapatite [Ca10(PO4)6(Cl)2]: |
|
Uptake, site preference, and degradation of monoclinic structure |
|
Sample: Dy-ClAp |
|
_database_code_amcsd 0002518 |
|
9.6487 9.6487 6.7652 90 90 120 P6_3/m |
|
atom x y z occ Biso |
|
Ca1 2/3 1/3 .00299 .933 1.20 |
|
Na1 2/3 1/3 .00299 .036 1.20 |
|
Dy1 2/3 1/3 .00299 .0306 1.20 |
|
Ca2 .00475 .25894 .25 .997 1.15 |
|
Dy2 .00475 .25894 .25 .0026 1.15 |
|
P .37565 .40844 .25 .97 |
|
O1 .4923 .3442 .25 1.40 |
|
O2 .4660 .5930 .25 1.39 |
|
O3 .2673 .3539 .0675 1.76 |
|
Cl 0 0 .4495 1.90 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Chlorapatite |
|
Fleet M E, Liu X, Pan Y |
|
American Mineralogist 85 (2000) 1437-1446 |
|
Rare-earth elements in chlorapatite [Ca10(PO4)6(Cl)2]: |
|
Uptake, site preference, and degradation of monoclinic structure |
|
Sample: La-ClAp |
|
_database_code_amcsd 0002519 |
|
9.6501 19.3002 6.7724 90 90 120. P2_1/b |
|
atom x y z occ Biso |
|
Ca1 .3227 .58037 .0037 .963 .42 |
|
Na1 .3227 .58037 .0037 .025 .42 |
|
La1 .3227 .58037 .0037 .0126 .42 |
|
Ca1p .3449 .5865 .4968 .963 1.68 |
|
Na1p .3449 .5865 .4968 .025 1.68 |
|
La1p .3449 .5865 .4968 .0126 1.68 |
|
Ca2a .25884 .25185 .2484 .991 1.11 |
|
La2a .25884 .25185 .2484 .0089 1.11 |
|
Ca2b .00426 .62268 .7481 .991 1.23 |
|
La2b .00426 .62268 .7481 .0089 1.23 |
|
Ca2c .25546 .37953 .7501 .991 1.159 |
|
La2c .25546 .37953 .7501 .0089 1.159 |
|
P(a) .40750 .43754 .2555 .94 |
|
P(b) .62463 .26654 .2531 .97 |
|
P(c) .03239 .45376 .7535 .98 |
|
O1a .3436 .49575 .248 1.37 |
|
O1b .4920 .32379 .756 1.33 |
|
O1c .1481 .57837 .257 1.40 |
|
O2a .5921 .48276 .2354 1.17 |
|
O2b .5341 .31366 .241 1.18 |
|
O2c .1268 .54621 .7332 1.15 |
|
O3a .3363 .3796 .0796 1.25 |
|
O3b .7399 .2901 .0755 1.36 |
|
O3c .0792 .4180 .5784 1.36 |
|
O3ap .3696 .3876 .4442 1.06 |
|
O3bp .7260 .2968 .4407 .98 |
|
O3cp .0925 .4350 .9429 .99 |
|
Cl .0017 .24930 .4451 1.58 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Apatite-(CaCl) |
|
Fleet M E, Liu X, Pan Y |
|
American Mineralogist 85 (2000) 1437-1446 |
|
Rare-earth elements in chlorapatite [Ca10(PO4)6(Cl)2]: |
|
Uptake, site preference, and degradation of monoclinic structure |
|
Sample: La-ClAp |
|
_database_code_amcsd 0002520 |
|
9.6499 9.6499 6.7725 90 90 120 P6_3/m |
|
atom x y z occ Biso |
|
Ca1 2/3 1/3 .00347 .963 1.26 |
|
Na1 2/3 1/3 .00347 .025 1.26 |
|
La1 2/3 1/3 .00347 .0126 1.26 |
|
Ca2 .00393 .25895 .25 .991 1.17 |
|
La2 .00393 .25895 .25 .0089 1.17 |
|
P .37530 .40780 .25 .97 |
|
O1 .4917 .3437 .25 1.37 |
|
O2 .4659 .5926 .25 1.41 |
|
O3 .2673 .3536 .0677 1.80 |
|
Cl 0 0 .4448 1.73 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Apatite-(CaCl) |
|
Fleet M E, Liu X, Pan Y |
|
American Mineralogist 85 (2000) 1437-1446 |
|
Rare-earth elements in chlorapatite [Ca10(PO4)6(Cl)2]: |
|
Uptake, site preference, and degradation of monoclinic structure |
|
Sample: Nd-ClAp |
|
_database_code_amcsd 0002521 |
|
9.6474 9.6474 6.7747 90 90 120 P6_3/m |
|
atom x y z occ Biso |
|
Ca1 2/3 1/3 .0028 .983 1.13 |
|
Nd1 2/3 1/3 .0028 .0172 1.13 |
|
Ca2 .00310 .25786 .25 .952 1.21 |
|
Na2 .00310 .25786 .25 .029 1.21 |
|
Nd2 .00310 .25786 .25 .0191 1.21 |
|
P .37501 .4074 .25 1.06 |
|
O1 .4916 .3429 .25 1.51 |
|
O2 .4659 .5933 .25 1.52 |
|
O3 .2667 .3529 .0678 1.97 |
|
Cl 0 0 .4480 2.23 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Apatite-(CaCl) |
|
Fleet M E, Liu X, Pan Y |
|
American Mineralogist 85 (2000) 1437-1446 |
|
Rare-earth elements in chlorapatite [Ca10(PO4)6(Cl)2]: |
|
Uptake, site preference, and degradation of monoclinic structure |
|
Sample: Dy-ClAp |
|
_database_code_amcsd 0002522 |
|
9.6487 9.6487 6.7652 90 90 120 P6_3/m |
|
atom x y z occ Biso |
|
Ca1 2/3 1/3 .00299 .933 1.20 |
|
Na1 2/3 1/3 .00299 .036 1.20 |
|
Dy1 2/3 1/3 .00299 .0306 1.20 |
|
Ca2 .00475 .25894 .25 .997 1.15 |
|
Dy2 .00475 .25894 .25 .0026 1.15 |
|
P .37565 .40844 .25 .97 |
|
O1 .4923 .3442 .25 1.40 |
|
O2 .4660 .5930 .25 1.39 |
|
O3 .2673 .3539 .0675 1.76 |
|
Cl 0 0 .4495 1.90 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Apatite-(CaCl) |
|
Fleet M E, Liu X, Pan Y |
|
American Mineralogist 85 (2000) 1437-1446 |
|
Rare-earth elements in chlorapatite [Ca10(PO4)6(Cl)2]: |
|
Uptake, site preference, and degradation of monoclinic structure |
|
Sample: La-ClAp |
|
_database_code_amcsd 0002523 |
|
9.6501 19.3002 6.7724 90 90 120. P2_1/b |
|
atom x y z occ Biso |
|
Ca1 .3227 .58037 .0037 .963 .42 |
|
Na1 .3227 .58037 .0037 .025 .42 |
|
La1 .3227 .58037 .0037 .0126 .42 |
|
Ca1p .3449 .5865 .4968 .963 1.68 |
|
Na1p .3449 .5865 .4968 .025 1.68 |
|
La1p .3449 .5865 .4968 .0126 1.68 |
|
Ca2a .25884 .25185 .2484 .991 1.11 |
|
La2a .25884 .25185 .2484 .0089 1.11 |
|
Ca2b .00426 .62268 .7481 .991 1.23 |
|
La2b .00426 .62268 .7481 .0089 1.23 |
|
Ca2c .25546 .37953 .7501 .991 1.159 |
|
La2c .25546 .37953 .7501 .0089 1.159 |
|
P(a) .40750 .43754 .2555 .94 |
|
P(b) .62463 .26654 .2531 .97 |
|
P(c) .03239 .45376 .7535 .98 |
|
O1a .3436 .49575 .248 1.37 |
|
O1b .4920 .32379 .756 1.33 |
|
O1c .1481 .57837 .257 1.40 |
|
O2a .5921 .48276 .2354 1.17 |
|
O2b .5341 .31366 .241 1.18 |
|
O2c .1268 .54621 .7332 1.15 |
|
O3a .3363 .3796 .0796 1.25 |
|
O3b .7399 .2901 .0755 1.36 |
|
O3c .0792 .4180 .5784 1.36 |
|
O3ap .3696 .3876 .4442 1.06 |
|
O3bp .7260 .2968 .4407 .98 |
|
O3cp .0925 .4350 .9429 .99 |
|
Cl .0017 .24930 .4451 1.58 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fluorapatite |
|
Luo Y, Hughes J M, Rakovan J, Pan Y |
| |
American Mineralogist 94 (2009) 345-351 |
|
Site preference of U and Th in Cl, F, and Sr apatites |
|
Locality: synthetic |
|
Note: UFAP |
|
_database_code_amcsd 0004837 |
|
9.3709 9.3709 6.8849 90 90 120 P6_3/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 2/3 1/3 .00103 .999 .0106 .0121 .0121 .0074 .0060 0 0 |
|
Ca2 .75983 .00774 1/4 .986 .0095 .0113 .0091 .0087 .0054 0 0 |
|
U2 .75983 .00774 1/4 .014 .0095 .0113 .0091 .0087 .0054 0 0 |
|
P .60199 .63110 1/4 .0069 .0074 .0065 .0070 .0037 0 0 |
|
O1 .6747 .5161 1/4 .0116 .0144 .0110 .0130 .0092 0 0 |
|
O2 .41220 .53290 1/4 .0132 .0081 .0103 .0198 .0034 0 0 |
|
O3 .65863 .74315 .0706 .0153 .0250 .0137 .0105 .0120 .0077 .0046 |
|
F 0 0 1/4 .0220 .0125 .0125 .0409 .0063 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Chlorapatite |
|
Luo Y, Hughes J M, Rakovan J, Pan Y |
| |
American Mineralogist 94 (2009) 345-351 |
|
Site preference of U and Th in Cl, F, and Sr apatites |
|
Locality: synthetic |
|
Note: UClAP |
|
_database_code_amcsd 0004838 |
|
9.6233 9.6233 6.7784 90 90 120 P6_3/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 2/3 1/3 -.00328 .994 .0142 .0168 .0168 .0092 .0084 0 0 |
|
U1 2/3 1/3 -.00328 .006 .0142 .0168 .0168 .0092 .0084 0 0 |
|
Ca2 .26006 .00142 1/4 .993 .0148 .0150 .0172 .0113 .0072 0 0 |
|
U2 .26006 .00142 1/4 .007 .0148 .0150 .0172 .0113 .0072 0 0 |
|
P .40541 .37322 1/4 .0096 .0107 .0094 .0096 .0056 0 0 |
|
O1 .34064 .49039 1/4 .0176 .0270 .0186 .0154 .0175 0 0 |
|
O2 .59083 .46428 1/4 .0188 .0116 .0141 .0293 .0053 0 0 |
|
O3 .35241 .26521 .06722 .0261 .0433 .0225 .0219 .0235 -.0188 -.0123 |
|
Cl 0 0 .05959 .0681 .0220 .0220 .1623 .0110 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fluorapatite |
|
Luo Y, Hughes J M, Rakovan J, Pan Y |
| |
American Mineralogist 94 (2009) 345-351 |
|
Site preference of U and Th in Cl, F, and Sr apatites |
|
Locality: synthetic |
|
Note: ThFAP |
|
_database_code_amcsd 0004839 |
|
9.375 9.375 6.883 90 90 120 P6_3/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 2/3 1/3 .00107 .999 .0107 .0123 .0123 .0075 .0061 0 0 |
|
Ca2 .75984 .00764 1/4 .987 .0097 .0115 .0092 .0089 .0054 0 0 |
|
Th2 .75984 .00764 1/4 .013 .0097 .0115 .0092 .0089 .0054 0 0 |
|
P .60179 .63095 1/4 .0070 .0074 .0066 .0075 .0038 0 0 |
|
O1 .6743 .51573 1/4 .0115 .0144 .0109 .0126 .0090 0 0 |
|
O2 .41194 .53296 1/4 .0132 .0075 .0098 .0207 .0032 0 0 |
|
O3 .65868 .74320 .07044 .0154 .0246 .0138 .0111 .0121 .0071 .0042 |
|
F 0 0 1/4 .0220 .0119 .0119 .0422 0 0 .0060 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Chlorapatite |
|
Luo Y, Hughes J M, Rakovan J, Pan Y |
| |
American Mineralogist 94 (2009) 345-351 |
|
Site preference of U and Th in Cl, F, and Sr apatites |
|
Locality: synthetic |
|
Note: ThClAP |
|
_database_code_amcsd 0004840 |
|
9.6330 9.6330 6.7834 90 90 120 P6_3/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 2/3 1/3 -.00277 .977 .0140 .0164 .0164 .0093 .0082 0 0 |
|
Th1 2/3 1/3 -.00277 .023 .0140 .0164 .0164 .0093 .0082 0 0 |
|
Ca2 .99953 .25834 1/4 .979 .0153 .0173 .0175 .0104 .0082 0 0 |
|
Th2 .99953 .25834 1/4 .021 .0153 .0173 .0175 .0104 .0082 0 0 |
|
P .40536 .37319 1/4 .0089 .0102 .0086 .0088 .0055 0 0 |
|
O1 .34060 .49060 1/4 .0172 .0261 .0179 .0151 .0167 0 0 |
|
O2 .5913 .4642 1/4 .0179 .0110 .0135 .0284 .0055 0 0 |
|
O3 .3523 .2651 .0671 .0256 .0430 .0223 .0213 .0237 -.0192 -.0122 |
|
Cl 0 0 -.5594 .0689 .0213 .0213 .1641 .0106 0 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Stronadelphite |
| |
Luo Y, Hughes J M, Rakovan J, Pan Y |
| |
American Mineralogist 94 (2009) 345-351 |
|
Site preference of U and Th in Cl, F, and Sr apatites |
|
Locality: synthetic |
|
Note: ThSrFAP |
|
_database_code_amcsd 0004841 |
|
9.7038 9.7038 7.2723 90 90 120 P6_3/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Sr1 2/3 1/3 -.00033 .993 .0094 .0110 .0110 .0060 .0055 0 0 |
|
Th1 2/3 1/3 -.00033 .007 .0094 .0110 .0110 .0060 .0055 0 0 |
|
Sr2 .76004 .01439 1/4 .993 .0084 .0092 .0079 .0083 .0045 0 0 |
|
Th2 .76004 .01438 1/4 .007 .0084 .0092 .0079 .0083 .0045 0 0 |
|
P .60041 .63115 1/4 .0071 .0083 .0067 .0070 .0043 0 0 |
|
O1 .6698 .5189 1/4 .0120 .0158 .0108 .0125 .0090 0 0 |
|
O2 .4177 .5360 1/4 .0129 .0089 .0123 .0155 .0037 0 0 |
|
O3 .6562 .7389 .0788 .0145 .0221 .0131 .0096 .0098 .0059 .0033 |
|
F 0 0 1/4 .0267 .0129 .0129 .0546 .0065 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Apatite-(CaF) |
|
Luo Y, Hughes J M, Rakovan J, Pan Y |
| |
American Mineralogist 94 (2009) 345-351 |
|
Site preference of U and Th in Cl, F, and Sr apatites |
|
Locality: synthetic |
|
Note: UFAP |
|
_database_code_amcsd 0004842 |
|
9.3709 9.3709 6.8849 90 90 120 P6_3/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 2/3 1/3 .00103 .999 .0106 .0121 .0121 .0074 .0060 0 0 |
|
Ca2 .75983 .00774 1/4 .986 .0095 .0113 .0091 .0087 .0054 0 0 |
|
U2 .75983 .00774 1/4 .014 .0095 .0113 .0091 .0087 .0054 0 0 |
|
P .60199 .63110 1/4 .0069 .0074 .0065 .0070 .0037 0 0 |
|
O1 .6747 .5161 1/4 .0116 .0144 .0110 .0130 .0092 0 0 |
|
O2 .41220 .53290 1/4 .0132 .0081 .0103 .0198 .0034 0 0 |
|
O3 .65863 .74315 .0706 .0153 .0250 .0137 .0105 .0120 .0077 .0046 |
|
F 0 0 1/4 .0220 .0125 .0125 .0409 .0063 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Apatite-(CaCl) |
|
Luo Y, Hughes J M, Rakovan J, Pan Y |
| |
American Mineralogist 94 (2009) 345-351 |
|
Site preference of U and Th in Cl, F, and Sr apatites |
|
Locality: synthetic |
|
Note: UClAP |
|
_database_code_amcsd 0004843 |
|
9.6233 9.6233 6.7784 90 90 120 P6_3/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 2/3 1/3 -.00328 .994 .0142 .0168 .0168 .0092 .0084 0 0 |
|
U1 2/3 1/3 -.00328 .006 .0142 .0168 .0168 .0092 .0084 0 0 |
|
Ca2 .26006 .00142 1/4 .993 .0148 .0150 .0172 .0113 .0072 0 0 |
|
U2 .26006 .00142 1/4 .007 .0148 .0150 .0172 .0113 .0072 0 0 |
|
P .40541 .37322 1/4 .0096 .0107 .0094 .0096 .0056 0 0 |
|
O1 .34064 .49039 1/4 .0176 .0270 .0186 .0154 .0175 0 0 |
|
O2 .59083 .46428 1/4 .0188 .0116 .0141 .0293 .0053 0 0 |
|
O3 .35241 .26521 .06722 .0261 .0433 .0225 .0219 .0235 -.0188 -.0123 |
|
Cl 0 0 .05959 .0681 .0220 .0220 .1623 .0110 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Apatite-(CaF) |
|
Luo Y, Hughes J M, Rakovan J, Pan Y |
| |
American Mineralogist 94 (2009) 345-351 |
|
Site preference of U and Th in Cl, F, and Sr apatites |
|
Locality: synthetic |
|
Note: ThFAP |
|
_database_code_amcsd 0004844 |
|
9.375 9.375 6.883 90 90 120 P6_3/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 2/3 1/3 .00107 .999 .0107 .0123 .0123 .0075 .0061 0 0 |
|
Ca2 .75984 .00764 1/4 .987 .0097 .0115 .0092 .0089 .0054 0 0 |
|
Th2 .75984 .00764 1/4 .013 .0097 .0115 .0092 .0089 .0054 0 0 |
|
P .60179 .63095 1/4 .0070 .0074 .0066 .0075 .0038 0 0 |
|
O1 .6743 .51573 1/4 .0115 .0144 .0109 .0126 .0090 0 0 |
|
O2 .41194 .53296 1/4 .0132 .0075 .0098 .0207 .0032 0 0 |
|
O3 .65868 .74320 .07044 .0154 .0246 .0138 .0111 .0121 .0071 .0042 |
|
F 0 0 1/4 .0220 .0119 .0119 .0422 0 0 .0060 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Apatite-(CaCl) |
|
Luo Y, Hughes J M, Rakovan J, Pan Y |
| |
American Mineralogist 94 (2009) 345-351 |
|
Site preference of U and Th in Cl, F, and Sr apatites |
|
Locality: synthetic |
|
Note: ThClAP |
|
_database_code_amcsd 0004845 |
|
9.6330 9.6330 6.7834 90 90 120 P6_3/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 2/3 1/3 -.00277 .977 .0140 .0164 .0164 .0093 .0082 0 0 |
|
Th1 2/3 1/3 -.00277 .023 .0140 .0164 .0164 .0093 .0082 0 0 |
|
Ca2 .99953 .25834 1/4 .979 .0153 .0173 .0175 .0104 .0082 0 0 |
|
Th2 .99953 .25834 1/4 .021 .0153 .0173 .0175 .0104 .0082 0 0 |
|
P .40536 .37319 1/4 .0089 .0102 .0086 .0088 .0055 0 0 |
|
O1 .34060 .49060 1/4 .0172 .0261 .0179 .0151 .0167 0 0 |
|
O2 .5913 .4642 1/4 .0179 .0110 .0135 .0284 .0055 0 0 |
|
O3 .3523 .2651 .0671 .0256 .0430 .0223 .0213 .0237 -.0192 -.0122 |
|
Cl 0 0 -.5594 .0689 .0213 .0213 .1641 .0106 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Apatite-(SrF) |
| |
Luo Y, Hughes J M, Rakovan J, Pan Y |
| |
American Mineralogist 94 (2009) 345-351 |
|
Site preference of U and Th in Cl, F, and Sr apatites |
|
Locality: synthetic |
|
Note: ThSrFAP |
|
_database_code_amcsd 0004846 |
|
9.7038 9.7038 7.2723 90 90 120 P6_3/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Sr1 2/3 1/3 -.00033 .993 .0094 .0110 .0110 .0060 .0055 0 0 |
|
Th1 2/3 1/3 -.00033 .007 .0094 .0110 .0110 .0060 .0055 0 0 |
|
Sr2 .76004 .01439 1/4 .993 .0084 .0092 .0079 .0083 .0045 0 0 |
|
Th2 .76004 .01438 1/4 .007 .0084 .0092 .0079 .0083 .0045 0 0 |
|
P .60041 .63115 1/4 .0071 .0083 .0067 .0070 .0043 0 0 |
|
O1 .6698 .5189 1/4 .0120 .0158 .0108 .0125 .0090 0 0 |
|
O2 .4177 .5360 1/4 .0129 .0089 .0123 .0155 .0037 0 0 |
|
O3 .6562 .7389 .0788 .0145 .0221 .0131 .0096 .0098 .0059 .0033 |
|
F 0 0 1/4 .0267 .0129 .0129 .0546 .0065 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Apatite-(SrCl) |
| |
Luo Y, Hughes J M, Rakovan J, Pan Y |
| |
American Mineralogist 94 (2009) 345-351 |
|
Site preference of U and Th in Cl, F, and Sr apatites |
|
Locality: synthetic |
|
Note: ThSrClAP |
|
_database_code_amcsd 0004847 |
|
9.8562 9.8562 7.2095 90 90 120 P6_3/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Sr1 2/3 1/3 .00078 .985 .0113 .0127 .0127 .0085 .0064 0 0 |
|
Th1 2/3 1/3 .00078 .015 .0113 .0127 .0127 .0085 .0064 0 0 |
|
Sr2 .26043 .01125 1/4 .990 .0108 .0115 .0118 .0095 .0060 0 0 |
|
Th2 .26043 .01125 1/4 .010 .0108 .0115 .0118 .0095 .0060 0 0 |
|
P .37108 .40395 1/4 .0077 .0077 .0093 .0071 .0050 0 0 |
|
O1 .4811 .3349 1/4 .0135 .0152 .0178 .0121 .0116 0 0 |
|
O2 .4662 .5847 1/4 .0174 .0125 .0101 .0284 .0047 0 0 |
|
O3 .2665 .3540 .0768 .0208 .0185 .0354 .0141 .0176 -.0071 -.0116 |
|
Cl 0 0 0 .0247 .0199 .0199 .0344 .0100 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cuspidine |
|
Fleet M E, Pan Y |
|
The Canadian Mineralogist 33 (1995) 879-884 |
|
The structure of NaCa2LuSi2O7F2, a synthetic phase of the cuspidine group |
|
_database_code_amcsd 0005460 |
|
11.024 10.303 7.391 90 109.40 90 P2_1/a |
|
atom x y z occ Biso |
|
Na1 .4247 .1276 .8388 .845 .67 |
|
Ca1 .4247 .1276 .8388 .155 .67 |
|
Ca2 .4262 .1308 .3409 .845 .98 |
|
Na2 .4262 .1308 .3409 .155 .98 |
|
Lu3 .30858 .40160 .52890 .845 .50 |
|
Ca3 .30858 .40160 .52890 .155 .50 |
|
Ca4 .3010 .3957 .0257 .845 1.19 |
|
Lu4 .3010 .3957 .0257 .155 1.19 |
|
Si1 .1276 .1775 .7198 .80 |
|
Si2 .1205 .1769 .1595 .85 |
|
O1 .1373 .1937 .9507 2.66 |
|
O2 .1601 .0289 .6939 1.53 |
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O3 .1471 .0248 .2059 2.00 |
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O4 .2403 .2726 .7134 1.47 |
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O5 .2380 .2681 .2831 1.55 |
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O6 .9840 .2215 .5903 1.44 |
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O7 .9808 .2262 .1291 1.61 |
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F1 .1127 .4916 .4465 1.13 |
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F2 .1083 .4949 .9304 1.36 |
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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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Sibirskite |
|
Sun W, Huang Y-X, Li Z, Pan Y, Mi J-X |
| |
The Canadian Mineralogist 49 (2011) 823-834 |
|
Hydrothermal synthesis and single-crystal X-ray structure refinement of |
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three borates: sibirskite, parasibirskite and priceite |
|
Locality: synthetic |
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Note: T = 295 K |
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_database_code_amcsd 0018463 |
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3.5624 9.5225 8.6231 90 119.452 90 P2_1/c |
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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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Ca(1) .50358 .49298 .71256 .0103 .0103 .0117 -.0004 .0056 -.0005 |
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H(1) -.006 .887 .938 .0350 |
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B(1) .1405 .2363 .4250 .0056 .0153 .0094 -.0002 .0035 -.0001 |
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O(1) .1641 .3794 .4262 .0129 .0087 .0111 .0005 .0055 -.0013 |
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O(2) .1026 .1525 .2908 .0134 .0117 .0123 -.0019 .0073 -.0030 |
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O(3) .1282 .1669 .5671 .0274 .0108 .0162 .0025 .0142 .0027 |
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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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Parasibirksite |
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Sun W, Huang Y-X, Li Z, Pan Y, Mi J-X |
| |
The Canadian Mineralogist 49 (2011) 823-834 |
|
Hydrothermal synthesis and single-crystal X-ray structure refinement of |
|
three borates: sibirskite, parasibirskite and priceite |
|
Locality: synthetic |
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Note: T = 295 K |
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_database_code_amcsd 0018464 |
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6.6994 5.4269 3.5534 90 93.048 90 P2_1/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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Ca(1) .35260 .25 .24837 .0115 .0072 .0094 0 .00105 0 |
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H(1) -.030 .863 .974 .5 .0480 |
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B(1) .2251 .75 .7704 .0092 .0112 .0088 0 -.0002 0 |
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O(1) .0236 .75 .8724 .0115 .0293 .0322 0 .0074 0 |
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O(2) .3188 .5318 .7367 .0198 .0085 .0119 -.0002 .0026 -.0003 |
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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
|
| |
|
Parasibirskite |
|
Sun W, Huang Y-X, Li Z, Pan Y, Mi J-X |
| |
The Canadian Mineralogist 49 (2011) 823-834 |
|
Hydrothermal synthesis and single-crystal X-ray structure refinement of |
|
three borates: sibirskite, parasibirskite and priceite |
|
Locality: synthetic |
|
Note: T = 173 K |
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_database_code_amcsd 0018465 |
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6.6798 5.4208 3.5466 90 93.245 90 P2_1/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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Ca(1) .35264 .25 .24743 .0068 .0053 .0058 0 .00079 0 |
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H(1) -.006 .887 .938 .5 .0350 |
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B(1) .2242 .75 .7690 .0054 .0112 .0042 0 -.0003 0 |
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O(1) .0227 .75 .8727 .0073 .0244 .0207 0 .0037 0 |
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O(2) .3186 .5316 .7353 .0128 .0061 .0080 -.0004 .0013 -.0003 |
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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
|
| |
|
Priceite |
|
Sun W, Huang Y-X, Li Z, Pan Y, Mi J-X |
| |
The Canadian Mineralogist 49 (2011) 823-834 |
|
Hydrothermal synthesis and single-crystal X-ray structure refinement of |
|
three borates: sibirskite, parasibirskite and priceite |
|
Locality: synthetic |
|
Note: T = 173 K |
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_database_code_amcsd 0018466 |
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11.580 6.9844 12.352 90 110.573 90 P2_1/c |
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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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Ca(1) .00800 .75771 .57987 .0077 .0058 .0061 -.0002 .0028 .0006 |
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Ca(2) .30866 .24418 .37863 .0085 .0064 .0062 .0001 .0030 -.0007 |
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OW(1) .5087 .3473 .3950 .0129 .0268 .0183 -.0059 .0043 .0026 |
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B(1) .2490 .7492 .3541 .005 .010 .008 -.0012 .0028 -.0026 |
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B(2) .0181 .7255 .3284 .008 .006 .0046 .0006 .0001 -.0012 |
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B(3) .1845 .5344 .4811 .009 .005 .007 -.0013 .0026 -.0021 |
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B(4) .3032 .2810 .6271 .009 .009 .0025 -.0010 .0010 .0000 |
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B(5) .2899 .6203 .6904 .0064 |
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O(1) .3200 .7557 .7756 .0101 .0058 .0058 -.0009 .0053 -.0018 |
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O(2) .2975 .9158 .4342 .0104 .0067 .0089 -.0003 .0028 -.0032 |
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O(3) .2667 .5707 .4177 .0082 .0074 .0048 .0004 .0019 .0011 |
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O(4) .1163 .7835 .2860 .0086 .0093 .0077 .0004 .0035 .0044 |
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O(5) -.0206 .8926 .3870 .0094 .0093 .0109 -.0007 .0060 .0011 |
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O(6) -.0907 .6732 .2256 .0076 .0066 .0068 -.0005 .0003 .001 |
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O(7) .0546 .5652 .4098 .0107 .0049 .0068 -.0013 .0040 .0011 |
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O(8) .2121 .6706 .5819 .0089 .0061 .0061 .0007 .0027 -.0002 |
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O(9) .1995 .3349 .5215 .0097 .0051 .0050 -.0005 .0016 .0011 |
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O(10) .2670 .1177 .6820 .0102 .0060 .0088 .0005 .0023 .0027 |
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O(11) .4076 .2472 .5891 .0065 .0144 .0094 .0033 .0027 .0004 |
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O(12) .3312 .4351 .7148 .0129 .0053 .0071 .0007 .0047 .0004 |
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H(1) .4797 .2262 .6364 .06 |
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H(2) .3132 .0114 .7063 .035 |
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H(3) .2568 .9304 .4858 .047 |
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H(4) -.1021 .8704 .3779 .063 |
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H(5) -.1029 .5464 .2345 .048 |
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H(6) .5543 .2638 .44 .05 |
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H(7) .5328 .466 .3998 .05 |
|
|
| 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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