American Mineralogist Crystal Structure Database

20 matching records for this search.

Chondrodite
Download hom/chondrodite.pdf
Gibbs G V, Ribbe P H, Anderson C P
Download am/vol55/AM55_1182.pdf
American Mineralogist 55 (1970) 1182-1194
The crystal structures of the humite minerals. II. Chondrodite
_database_code_amcsd 0000208
4.7284 10.2539 7.8404 109.059 90 90 P2_1/b
atom     x     y     z occ Biso
Mg1     .5     0    .5 .95  .49
Fe1     .5     0    .5 .05  .49
Mg2  .0091 .1731 .3055      .45
Mg3  .4915 .8867 .0791      .43
Si   .0768 .1441 .7038      .20
O1   .7787 .0009 .2937      .36
O2   .7280 .2404 .1252      .40
O3   .2255 .1682 .5275      .35
O4   .2649 .8546 .2943      .42
OH   .2656 .0582 .1018 .35  .50
F    .2656 .0582 .1018 .65  .50
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Chondrodite
Download hom/chondrodite.pdf
Fujino K, Takeuchi Y
Download am/vol63/AM63_535.pdf
American Mineralogist 63 (1978) 535-543
Crystal chemistry of titanian chondrodite and titanian clinohumite of
high-pressure origin
_database_code_amcsd 0000667
4.727 10.318 7.9053 109.333 90 90 P2_1/b
atom      x      y      z occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Mg1      .5      0     .5 .91 .00462 .00121 .00173 -.00004  .00044  .00004
Fe1      .5      0     .5 .09 .00462 .00121 .00173 -.00004  .00044  .00004
Mg2  .01538 .17316 .30648 .87 .00623 .00119 .00238  .00015 -.00005  .00052
Fe2  .01538 .17316 .30648 .12 .00623 .00119 .00238  .00015 -.00005  .00052
Ti2  .01538 .17316 .30648 .01 .00623 .00119 .00238  .00015 -.00005  .00052
Mg3  .49525 .89343 .07466 .66 .00600 .00241 .00243  .00081 -.00091 -.00026
Fe3  .49525 .89343 .07466 .13 .00600 .00241 .00243  .00081 -.00091 -.00026
Ti3  .49525 .89343 .07466 .21 .00600 .00241 .00243  .00081 -.00091 -.00026
Si   .07499 .14380 .70431     .00351 .00109 .00179 -.00014 -.00016  .00033
O1   .77728 .00071 .29554     .00493 .00103 .00247 -.00031  .00037  .00047
O2   .72461 .24271 .12284     .00567 .00125 .00244  .00010  .00008 -.00013
O3   .22378 .16998 .53152     .00504 .00158 .00200  .00023  .00059  .00076
O4   .26619 .85625 .29560     .00339 .00156 .00256 -.00015  .00006  .00074
OH   .25658 .05534 .09607     .00991 .00210 .00316  .00000  .00158  .00009
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Chondrodite
Download hom/chondrodite.pdf
Ottolini L, Camara F, Bigi S
Download am/vol85/AM85_89.pdf
American Mineralogist 85 (2000) 89-102
An investigation of matrix effects in the analysis of fluorine in humite-group
minerals by EMPA, SIMS, and SREF
Sample: Chum HV-41 n.2
_database_code_amcsd 0002337
4.7405 10.2377 13.6496 100.843 90 90 P2_1/b
atom      x      y      z occ Biso
Si1  .07329 .06623 .38930      .31
Si2  .07641 .17670 .83511      .31
Mg1A     .5      0     .5      .46
Mg1B .49743 .94627 .27421      .48
Mg25 .00928 .14038 .17026      .49
Mg26 .50876 .25023 .38825      .45
Mg3  .49277 .87792 .04299      .52
O11  .73294 .06451 .38811      .41
O12  .27787 .41947 .38776      .40
O13  .22308 .11240 .29312      .43
O14  .22238 .15881 .48636      .43
O21  .23624 .32276 .16287      .40
O22  .77897 .96885 .16257      .44
O23  .72430 .27994 .26273      .45
O24  .72808 .22680 .07021      .45
F5   .26152 .04630 .05566 .64  .68
O5   .26152 .04630 .05566 .36  .68
H      .067  -.021   .013 .33 4.51
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Chondrodite
Download hom/chondrodite.pdf
Ottolini L, Camara F, Bigi S
Download am/vol85/AM85_89.pdf
American Mineralogist 85 (2000) 89-102
An investigation of matrix effects in the analysis of fluorine in humite-group
minerals by EMPA, SIMS, and SREF
Sample: Chond HV-43 n.3
_database_code_amcsd 0002339
4.7230 10.2584 7.8504 109.076 90 90 P2_1/b
atom      x      y      z occ Biso
Si   .07656 .14403 .70374      .35
Mg1      .5      0     .5      .52
Mg2  .00943 .17358 .30654      .49
Mg3  .49214 .88645 .07927      .49
O1   .77761 .00156 .29407      .46
O2   .72731 .24074 .12567      .42
O3   .22439 .16824 .52798      .41
O4   .26401 .85487 .29478      .39
F5   .26227 .05742 .10053 .62  .68
O5   .26227 .05742 .10053 .38  .68
H      .143   .024   .021 .38 3.79
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Chondrodite
Download hom/chondrodite.pdf
Ottolini L, Camara F, Bigi S
Download am/vol85/AM85_89.pdf
American Mineralogist 85 (2000) 89-102
An investigation of matrix effects in the analysis of fluorine in humite-group
minerals by EMPA, SIMS, and SREF
Sample: Chond HV-43 n.4
_database_code_amcsd 0002340
4.7226 10.2564 7.8490 109.076 90 90 P2_1/b
atom      x      y      z occ Biso
Si   .07642 .14413 .70375      .37
Mg1      .5      0     .5      .51
Mg2  .00936 .17352 .30652       .5
Mg3  .49218 .88645 .07939       .5
O1   .77749 .00158 .29381      .48
O2   .72730 .24078 .12569      .45
O3   .22456 .16834 .52795      .45
O4   .26413 .85492 .29496      .42
F    .26252 .05756 .10064 .62  .73
O5   .26252 .05756 .10064 .38  .73
H      .100   .016   .023 .38  .41
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Chondrodite
Download hom/chondrodite.pdf
Friedrich A, Lager G A, Kunz M, Chakoumakos B C, Smyth J R, Schultz A J
Download am/vol86/AM86_981.pdf
American Mineralogist 86 (2001) 981-989
Temperature-dependent single-crystal neutron diffraction study of natural
chondrodite and clinohumite
Sample from Tilley Foster Mine, Brewster, NY at T = 295 K
_database_code_amcsd 0002666
4.7401 10.2843 7.8831 109.097 90 90 P2_1/b
atom      x      y     z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg(1)    .5      0    .5 .880 .0089 .00643 .00867 .01003 .00046 .00028 .00184
Fe(1)    .5      0    .5 .120 .0089 .00643 .00867 .01003 .00046 .00028 .00184
Mg(2) .0104 .17356 .3072      .0078 .00628 .00694 .01029 .00027 .00016 .00299
Mg(3) .4921 .88631 .0792      .0088 .00784 .00850 .00961 .00005 .00039 .00289
Si1   .0760  .1442 .7040      .0067  .0034  .0073  .0089 .00003 .00029 .00250
O1    .7792 .00099 .2941      .0086 .00734 .00758 .01077 .00008 .00016 .00323
O2    .7268 .24079 .1251      .0087 .00645 .00786 .00997 .00016 .00067 .00112
O3    .2238 .16899 .5286      .0090 .00687 .01006 .00995 .00029 .00020 .00414
O4    .2646 .85471 .2946      .0086 .00505 .00926 .01092 .00008 .00002 .00306
O(H)  .2593 .05668 .0988 .430 .0114 .01050 .00973 .01374 .00166 .00327 .00402
H     .0895  .0138 .0190 .430 .0269  .0145  .0304  .0280  .0045  .0067  .0029
F     .2593 .05668 .0988 .570 .0114 .01050 .00973 .01374 .00166 .00327 .00402
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Chondrodite
Download hom/chondrodite.pdf
Friedrich A, Lager G A, Kunz M, Chakoumakos B C, Smyth J R, Schultz A J
Download am/vol86/AM86_981.pdf
American Mineralogist 86 (2001) 981-989
Temperature-dependent single-crystal neutron diffraction study of natural
chondrodite and clinohumite
Sample: from Tilley Foster Mine, Brewster, NY at T = 100 K
_database_code_amcsd 0002667
4.7345 10.2674 7.8716 109.060 90 90 P2_1/b
atom      x      y     z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg(1)    .5      0    .5  .89 .0060 .00568 .00538 .00548 .00019 .00001 .00048
Fe(1)    .5      0    .5  .11 .0060 .00568 .00538 .00548 .00019 .00001 .00048
Mg(2) .0102 .17377 .3069      .0054 .00476 .00497 .00568 .00002 .00031 .00114
Mg(3) .4924 .88658 .0794      .0066 .00622 .00624 .00638 .00012 .00012 .00154
Si1   .0758  .1442 .7041      .0054  .0039  .0055  .0055 .00010 .00007 .00091
O1    .7788 .00120 .2940      .0066 .00635 .00599 .00680 .00004 .00018 .00169
O2    .7272 .24065 .1252      .0066 .00572 .00582 .00642 .00004 .00060 .00024
O3    .2239 .16886 .5284      .0069 .00614 .00737 .00642 .00020 .00008 .00218
O4    .2649 .85492 .2948      .0066 .00475 .00695 .00683 .00023 .00004 .00147
O(H)  .2590 .05679 .0987 .432 .0086 .00875 .00748 .00862 .00091 .00240 .00207
H     .0885  .0135 .0194 .432 .0218  .0118  .0258  .0215  .0035  .0052  .0027
F     .2590 .05679 .0987 .568 .0086 .00875 .00748 .00862 .00091 .00240 .00207
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Chondrodite
Download hom/chondrodite.pdf
Friedrich A, Lager G A, Kunz M, Chakoumakos B C, Smyth J R, Schultz A J
Download am/vol86/AM86_981.pdf
American Mineralogist 86 (2001) 981-989
Temperature-dependent single-crystal neutron diffraction study of natural
chondrodite and clinohumite
Sample from Tilley Foster Mine, Brewster, NY at T = 10 K
_database_code_amcsd 0002668
4.7321 10.2641 7.8673 109.052 90 90 P2_1/b
atom      x      y     z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg(1)    .5      0    .5  .89 .0055 .00398 .00584 .00492 .00006 .00005 .00021
Fe(1)    .5      0    .5  .11 .0055 .00398 .00584 .00492 .00006 .00005 .00021
Mg(2) .0102 .17382 .3069      .0050 .00345 .00476 .00582 .00036 .00030 .00095
Mg(3) .4925 .88651 .0795      .0060 .00501 .00612 .00599 .00044 .00038 .00127
Si1   .0761  .1443 .7041      .0048  .0034  .0050  .0052 .00021 .00025 .00094
O1    .7789 .00113 .2939      .0061 .00528 .00586 .00650 .00000 .00001 .00153
O2    .7273 .24056 .1251      .0061 .00456 .00592 .00612 .00040 .00068 .00024
O3    .2241 .16887 .5284      .0063 .00483 .00708 .00617 .00011 .00018 .00195
O4    .2651 .85480 .2947      .0063 .00425 .00684 .00668 .00023 .00027 .00143
O(H)  .2590 .05677 .0987 .422 .0080 .00788 .00694 .00832 .00094 .00235 .00185
H     .0896  .0139 .0192 .422 .0201  .0100  .0232  .0200  .0029  .0034  .0003
F     .2590 .05677 .0987 .578 .0080 .00788 .00694  .0083 .00094 .00235 .00185
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Chondrodite
Download hom/chondrodite.pdf
Friedrich A, Lager G A, Ulmer P, Kunz M, Marshall W G
Download am/vol87/AM87_931.pdf
American Mineralogist 87 (2002) 931-939
High-pressure single-crystal X-ray and powder neutron study of
F,OH/OD-chondrodite: Compressibility, structure, and hydrogen bonding
Sample: P = 0.0001 GPa, X-ray
_database_code_amcsd 0002860
4.7328 10.2765 7.8760 109.081 90 90 P2_1/b
atom     x     y     z occ  Uiso
MgM1   1/2     0   1/2 .90  .009
FeM1   1/2     0   1/2 .10  .009
MgM2 .0115 .1731 .3076      .008
MgM3 .4922 .8868 .0783      .010
Si   .0773 .1432 .7051     .0085
O1    .782 -.001  .295      .013
O2    .727  .243  .125      .011
O3    .223  .165  .532      .013
O4    .266  .852  .296      .013
OH5   .261  .056  .100 .42  .014
F5    .261  .056  .100 .58  .014
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Chondrodite
Download hom/chondrodite.pdf
Friedrich A, Lager G A, Ulmer P, Kunz M, Marshall W G
Download am/vol87/AM87_931.pdf
American Mineralogist 87 (2002) 931-939
High-pressure single-crystal X-ray and powder neutron study of
F,OH/OD-chondrodite: Compressibility, structure, and hydrogen bonding
Sample: P = 4.952 GPa, X-ray
_database_code_amcsd 0002861
4.6881 10.1222 7.7660 108.989 90 90 P2_1/b
atom     x     y     z occ Uiso
MgM1   1/2     0   1/2 .90 .010
FeM1   1/2     0   1/2 .10 .010
MgM2 .0097 .1746 .3054     .008
MgM3 .4917 .8871 .0791     .009
Si   .0760 .1441 .7045     .008
O1    .780  .000 .2936     .014
O2    .729  .241  .125     .011
O3    .225  .167 .5286     .014
O4   .2678  .854  .293     .013
OH5  .2581  .057 .0985 .42 .014
F5   .2581  .057 .0985 .58 .014
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Chondrodite
Download hom/chondrodite.pdf
Friedrich A, Lager G A, Ulmer P, Kunz M, Marshall W G
Download am/vol87/AM87_931.pdf
American Mineralogist 87 (2002) 931-939
High-pressure single-crystal X-ray and powder neutron study of
F,OH/OD-chondrodite: Compressibility, structure, and hydrogen bonding
Sample: P = 9.550 GPa, X-ray
_database_code_amcsd 0002862
4.65459 10.0033 7.6828 108.939 90 90 P2_1/b
atom     x     y     z occ Uiso
MgM1   1/2     0   1/2 .90 .010
FeM1   1/2     0   1/2 .10 .010
MgM2 .0106 .1748 .3054     .009
MgM3 .4924 .8885 .0800     .010
Si   .0754 .1444 .7038     .010
O1    .778  .001  .296     .014
O2   .7306  .239  .123     .010
O3    .228  .169  .526     .013
O4   .2694  .853  .295     .013
OH5  .2581  .056 .0983 .42 .015
F5   .2581  .056 .0983 .58 .015
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Chondrodite
Download hom/chondrodite.pdf
Friedrich A, Lager G A, Ulmer P, Kunz M, Marshall W G
Download am/vol87/AM87_931.pdf
American Mineralogist 87 (2002) 931-939
High-pressure single-crystal X-ray and powder neutron study of
F,OH/OD-chondrodite: Compressibility, structure, and hydrogen bonding
Sample: P = 1.26 GPa, Neutron
_database_code_amcsd 0002863
4.7179 10.2247 7.8290 109.01 90 90 P2_1/b
atom     x     y     z occ  Uiso
MgM1   1/2     0   1/2     .0025
MgM2  .013 .1748  .306     .0025
MgM3  .495 .8870 .0796     .0025
Si   .0772 .1417  .703      .006
O1    .775 .0017  .297     .0049
O2    .732 .2419  .124     .0049
O3    .225 .1681  .528     .0049
O4    .267 .8570  .296     .0049
O5    .263  .058  .103 .45  .008
F5    .263  .058  .103 .55  .008
D     .108  .022  .019 .45  .040
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Chondrodite
Download hom/chondrodite.pdf
Friedrich A, Lager G A, Ulmer P, Kunz M, Marshall W G
Download am/vol87/AM87_931.pdf
American Mineralogist 87 (2002) 931-939
High-pressure single-crystal X-ray and powder neutron study of
F,OH/OD-chondrodite: Compressibility, structure, and hydrogen bonding
Sample: P = 2.89 GPa, Neutron
_database_code_amcsd 0002864
4.7024 10.1742 7.7938 109.00 90 90 P2_1/b
atom     x     y     z occ  Uiso
MgM1   1/2     0   1/2     .0034
MgM2  .010 .1748  .305     .0034
MgM3  .501 .8860  .079     .0034
Si   .0767 .1410  .706      .004
O1    .774 .0034  .299     .0063
O2    .729 .2394  .124     .0063
O3    .223 .1695  .530     .0063
O4    .266 .8578  .300     .0063
O5    .263  .059  .106 .45  .002
F5    .263  .059  .106 .55  .002
D     .103  .022  .020 .45  .030
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Chondrodite
Download hom/chondrodite.pdf
Friedrich A, Lager G A, Ulmer P, Kunz M, Marshall W G
Download am/vol87/AM87_931.pdf
American Mineralogist 87 (2002) 931-939
High-pressure single-crystal X-ray and powder neutron study of
F,OH/OD-chondrodite: Compressibility, structure, and hydrogen bonding
Sample: P = 3.87 GPa, Neutron
_database_code_amcsd 0002865
4.6939 10.1458 7.7722 108.98 90 90 P2_1/b
atom     x     y     z occ  Uiso
MgM1   1/2     0   1/2     .0013
MgM2  .011 .1746 .3050     .0013
MgM3  .493 .8858 .0786     .0013
Si   .0769 .1407  .704      .003
O1    .771 .0022  .295     .0052
O2    .731 .2413  .124     .0052
O3    .227 .1685 .5278     .0052
O4   .2676 .8565  .297     .0052
O5    .262  .059  .103 .45  .006
F5    .262  .059  .103 .55  .006
D     .099  .021  .024 .45  .031
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Chondrodite
Download hom/chondrodite.pdf
Friedrich A, Lager G A, Ulmer P, Kunz M, Marshall W G
Download am/vol87/AM87_931.pdf
American Mineralogist 87 (2002) 931-939
High-pressure single-crystal X-ray and powder neutron study of
F,OH/OD-chondrodite: Compressibility, structure, and hydrogen bonding
Sample: P = 5.27 GPa, Neutron
_database_code_amcsd 0002866
4.6827 10.1055 7.7449 108.98 90 90 P2_1/b
atom     x     y     z occ  Uiso
MgM1   1/2     0   1/2     .0022
MgM2  .011 .1750  .303     .0022
MgM3  .494 .8864 .0781     .0022
Si   .0775 .1409  .702      .001
O1    .773 .0022  .296     .0052
O2    .729 .2411  .123     .0052
O3    .227 .1692  .525     .0052
O4    .268 .8565  .296     .0052
O5    .264 .0572  .101 .45  .002
F5    .264 .0572  .101 .55  .002
D     .105  .015  .024 .45  .038
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Chondrodite
Download hom/chondrodite.pdf
Friedrich A, Lager G A, Ulmer P, Kunz M, Marshall W G
Download am/vol87/AM87_931.pdf
American Mineralogist 87 (2002) 931-939
High-pressure single-crystal X-ray and powder neutron study of
F,OH/OD-chondrodite: Compressibility, structure, and hydrogen bonding
Sample: P = 7.04 GPa, Neutron
_database_code_amcsd 0002867
4.6688 10.0589 7.7127 108.98 90 90 P2_1/b
atom     x     y     z occ  Uiso
Mg1    1/2     0   1/2     .0007
Mg2   .012 .1746  .304     .0007
Mg3   .497 .8878 .0787     .0007
Si   .0770 .1419  .705      .001
O1    .774 .0028  .294     .0030
O2    .735 .2391  .123     .0030
O3    .225 .1696  .525     .0030
O4    .268 .8565  .295     .0030
O5    .261  .057  .100 .45  .006
F5    .261  .057  .100 .55  .006
D     .102  .021  .027 .45  .037
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Chondrodite
Download hom/chondrodite.pdf
Kunz M, Lager G A, Burgi H B, Fernandez-Diaz M T
 
Physics and Chemistry of Minerals 33 (2006) 17-27
High-temperature single-crystal neutron diffraction
study of natural chondrodite
Locality: Tilly Foster Mine, Brewster, New York
Sample: T = 500 K
_database_code_amcsd 0009017
4.7375 10.2920 7.8897 109.071 90 90 P2_1/b
atom      x      y      z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg1      .5      0     .5 .88  .0081  .0064  .0086  .0078  .0010  .0013  .0006
Fe1      .5      0     .5 .12  .0081  .0064  .0086  .0078  .0010  .0013  .0006
Mg2   .0104 .17338 .30720     .00747  .0074  .0069  .0085  .0003 -.0001  .0031
Mg3   .4917 .88608 .07902     .00810  .0083  .0085  .0078 -.0001 -.0007  .0031
Si    .0764 .14428 .70407      .0053  .0037  .0062  .0060 -.0001 -.0001  .0019
O1    .7794 .00060 .29406     .00778  .0074  .0064  .0101  .0002  .0003  .0035
O2    .7267 .24097 .12552     .00803  .0072  .0075  .0075 -.0002  .0006 -.0002
O3    .2235 .16901 .52906     .00783  .0070  .0103  .0072 -.0003  .0001  .0043
O4   .26390 .85468 .29459     .00763  .0043  .0094  .0091 -.0001  .0001  .0028
Oh5    .247  .0532  .0922 .43  .0100  .0097  .0094  .0104  .0005  .0017  .0027
H     .0899  .0139  .0197 .43  .0272   .018   .030   .028 -.0038 -.0057  .0025
F     .2686  .0592  .1038 .57  .0100  .0097  .0094  .0104  .0005  .0017  .0027
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Chondrodite
Download hom/chondrodite.pdf
Kunz M, Lager G A, Burgi H B, Fernandez-Diaz M T
 
Physics and Chemistry of Minerals 33 (2006) 17-27
High-temperature single-crystal neutron diffraction
study of natural chondrodite
Locality: Tilly Foster Mine, Brewster, New York
Sample: T = 700 K
_database_code_amcsd 0009018
4.7426 10.3082 7.9010 109.072 90 90 P2_1/b
atom      x      y      z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg1      .5      0     .5 .88  .0112  .0089  .0122  .0105  .0017  .0019  .0010
Fe1      .5      0     .5 .12  .0112  .0089  .0122  .0105  .0017  .0019  .0010
Mg2   .0106 .17317 .30750     .01029  .0101  .0096  .0117  .0005 -.0002  .0043
Mg3   .4913 .88585 .07874     .01097  .0111  .0114  .0107 -.0001 -.0012  .0040
Si    .0764 .14429 .70404     .00703  .0047  .0082  .0079 -.0002 -.0000  .0022
O1   .77955 .00036 .29422     .01037  .0097  .0085  .0137  .0002  .0004  .0047
O2   .72627 .24116 .12571     .01072  .0094  .0102  .0100 -.0003  .0008 -.0001
O3   .22333 .16910 .52937     .01046  .0089  .0142  .0097 -.0003  .0003  .0058
O4   .26330 .85451 .29455     .01019  .0054  .0128  .0122 -.0001  .0002  .0039
Oh5    .247  .0531  .0923 .43  .0135  .0129  .0130  .0144  .0010  .0026  .0041
H     .0907  .0141  .0201 .43  .0344   .023   .039   .035 -.0055 -.0075   .004
F     .2685  .0589  .1038 .57  .0135  .0129  .0130  .0144  .0010  .0026  .0041
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Chondrodite
Download hom/chondrodite.pdf
Kunz M, Lager G A, Burgi H B, Fernandez-Diaz M T
 
Physics and Chemistry of Minerals 33 (2006) 17-27
High-temperature single-crystal neutron diffraction
study of natural chondrodite
Locality: Tilly Foster Mine, Brewster, New York
Sample: T = 900 K
_database_code_amcsd 0009019
4.7501 10.3297 7.91912 109.048 90 90 P2_1/b
atom     x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg1     .5      0     .5 .88 .0144  .0105  .0161  .0141  .0020  .0023  .0016
Fe1     .5      0     .5 .12 .0144  .0105  .0161  .0141  .0020  .0023  .0016
Mg2  .0106 .17278  .3077     .0128  .0122  .0127  .0144  .0007 -.0004  .0055
Mg3  .4910 .88556  .0785     .0137  .0130  .0151  .0134 -.0003 -.0015  .0052
Si   .0766 .14445  .7039     .0087  .0050  .0104  .0105 -.0002 -.0002  .0031
O1   .7800 .00004 .29439     .0128  .0115  .0109  .0169  .0006  .0007  .0057
O2   .7259 .24156 .12591     .0135  .0111  .0133  .0127 -.0004  .0010 -.0006
O3   .2233 .16916 .52968     .0130  .0106  .0183  .0118 -.0005  .0005  .0074
O4   .2626 .85449 .29471     .0128  .0059  .0170  .0154 -.0001  .0004  .0050
Oh5   .247  .0529  .0921 .43 .0172  .0155  .0172  .0188  .0010  .0031  .0056
H    .0924  .0146  .0215 .43 .0410   .029   .044   .042  -.006  -.007   .004
F    .2693  .0589  .1043 .57 .0172  .0155  .0172  .0188  .0010  .0031  .0056
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Chondrodite
Download hom/chondrodite.pdf
Berry A J, James M
Download mm/vol66/MM66_441.pdf
Mineralogical Magazine 66 (2002) 441-449
Refinement of hydrogen positions in natural chondrodite by powder neutron
diffraction: implications for the stability of humite minerals
Locality: Orange county, New York, USA
_database_code_amcsd 0019536
4.7204 10.2360 7.8252 109.11 90 90 P2_1/b
atom     x      y     z occ Biso
Mg1     .5      0    .5 .93   .7
Fe1     .5      0    .5 .07   .7
Mg2  .0125  .1711 .3052       .7
Mg3  .4979  .8845 .0781       .6
Si   .0784  .1459 .7027      1.0
O1   .7805 -.0001 .2926      1.1
O2   .7254  .2417 .1263       .7
O3   .2286  .1692 .5263      1.2
O4   .2657  .8527 .2920       .8
F5   .2726  .0561 .1007 .77   .9
O5   .2726  .0561 .1007 .23   .9
H1    .082   .023  .028 .23  3.0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Download in:

Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking

Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking

Total number of retrieved datasets: 20
View in amc, download in amc

Return to AMCSD Home Page