American Mineralogist Crystal Structure Database

3 matching records for this search.

Hornblende
 
Phillips M W, Draheim J E, Popp R K, Clowe C A, Pinkerton A A
Download am/vol74/AM74_764.pdf
American Mineralogist 74 (1989) 764-773
Effects of oxidation-dehydrogenation in tschermakitic hornblende
sample H-1, natural
_database_code_amcsd 0001249
9.813 18.055 5.321 90 104.97 90 C2/m
atom       x      y      z  occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Al1   .28020 .08606 .30109 .390      0.0058 0.0063 0.0063 -.0011  .0009 -.0002
Si1   .28020 .08606 .30109 .610      0.0058 0.0063 0.0063 -.0011  .0009 -.0002
Si2   .29168 .17334 .81442           0.0061 0.0070 0.0066 -.0001  .0014  .0007
Fe1        0 .08972     .5 .415      0.0083 0.0066 0.0057      0  .0020      0
Mg1        0 .08972     .5 .585      0.0083 0.0066 0.0057      0  .0020      0
Fe2        0 .17782      0 .214      0.0056 0.0061 0.0063      0  .0013      0
Mg2        0 .17782      0 .321      0.0056 0.0061 0.0063      0  .0013      0
Al2        0 .17782      0 .430      0.0056 0.0061 0.0063      0  .0013      0
Ti2        0 .17782      0 .035      0.0056 0.0061 0.0063      0  .0013      0
Fe3        0      0      0 .588      0.0079 0.0056 0.0058      0  .0013      0
Mg3        0      0      0 .412      0.0079 0.0056 0.0058      0  .0013      0
Ca4        0 .28038     .5 .901      0.0104 0.0097 0.0104      0  .0052      0
Na4        0 .28038     .5 .099      0.0104 0.0097 0.0104      0  .0052      0
O1     .1057  .0920  .2116           0.0079 0.0168 0.0096 -.0026  .0027 -.0017
O2     .1195  .1753  .7385           0.0070 0.0099 0.0112  .0002  .0011  .0009
O3     .1108      0  .7115           0.0071 0.0114 0.0125      0  .0008      0
O4     .3696  .2505  .7943           0.0132 0.0086 0.0123 -.0018  .0051 -.0008
O5     .3506  .1394  .1093           0.0084 0.0146 0.0100 -.0001  .0008  .0051
O6     .3421  .1198  .6020           0.0092 0.0136 0.0130  .0002  .0018 -.0035
O7     .3333      0 .2860           0.0154 0.0140 0.0179       0 0.0030       0
Na2/m      0     .5     0 .430      0.0440 0.1900 0.0770       0 0.0520       0
H       .325     .5 .245      0.5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Hornblende
 
Phillips M W, Draheim J E, Popp R K, Clowe C A, Pinkerton A A
Download am/vol74/AM74_764.pdf
American Mineralogist 74 (1989) 764-773
Effects of oxidation-dehydrogenation in tschermakitic hornblende
sample H-11, after annealing at 650 C, 1 kbar
_database_code_amcsd 0001250
9.803 18.046 5.313 90 105.05 90 C2/m
atom       x      y      z  occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Al1   .28110 .08682 .30119 .390      0.0069 0.0068 0.0071 -.0007  .0012 -.0003
Si1   .28110 .08682 .30119 .610      0.0069 0.0068 0.0071 -.0007  .0012 -.0003
Si2   .29154 .17306 .81322           0.0071 0.0076 0.0075  .0001  .0017  .0007
Fe1        0 .08869     .5 .413      0.0093 0.0089 0.0067      0  .0023      0
Mg1        0 .08869     .5 .587      0.0093 0.0089 0.0067      0  .0023      0
Fe2        0 .17764      0 .284      0.0072 0.0065 0.0072      0  .0016      0
Mg2        0 .17764      0 .251      0.0072 0.0065 0.0072      0  .0016      0
Al2        0 .17764      0 .430      0.0072 0.0065 0.0072      0  .0016      0
Ti2        0 .17764      0 .035      0.0072 0.0065 0.0072      0  .0016      0
Fe3        0      0      0 .490      0.0093 0.0064 0.0072      0  .0012      0
Mg3        0      0      0 .510      0.0093 0.0064 0.0072      0  .0012      0
Ca4        0 .27999     .5 .903      0.0117 0.0097 0.0118      0  .0055      0
Na4        0 .27999     .5 .097      0.0117 0.0097 0.0118      0  .0055      0
O1     .1063  .0906  .2132           0.0093 0.0165 0.0107 -.0020  .0030 -.0010
O2     .1192  .1743  .7356           0.0078 0.0133 0.0111  .0006  .0011  .0016
O3     .1102      0  .7136           0.0085 0.0132 0.0164      0  .0014      0
O4     .3686  .2505  .7930           0.0143 0.0098 0.0131 -.0013  .0050 -.0004
O5     .3504  .1395  .1089           0.0105 0.0152 0.0123  .0002  .0014  .0047
O6     .3430  .1195  .6021           0.0104 0.0137 0.0136 -.0002  .0019 -.0036
O7     .3353      0  .2861           0.0154 0.0134 0.0200      0  .0030      0
Na2/m      0     .5      0 .470      0.1570 0.1070 0.1910      0  .1660      0
H       .319     .5   .268 .890  0.5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Hornblende
 
Phillips M W, Draheim J E, Popp R K, Clowe C A, Pinkerton A A
Download am/vol74/AM74_764.pdf
American Mineralogist 74 (1989) 764-773
Effects of oxidation-dehydrogenation in tschermakitic hornblende
sample H-3, after annealing at 700 C
_database_code_amcsd 0001251
9.786 18.024 5.306 90 105.09 90 C2/m
atom       x      y      z  occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Al1   .28216 .08563 .30101 .390      0.0074 0.0066 0.0068 -.0009  .0006  .0002
Si1   .28216 .08563 .30101 .610      0.0074 0.0066 0.0068 -.0009  .0006  .0002
Si2   .29167 .17291 .81243           0.0073 0.0065 0.0077  .0001  .0019  .0011
Fe1        0 .08686     .5 .443      0.0095 0.0118 0.0079      0  .0034      0
Mg1        0 .08686     .5 .557      0.0095 0.0118 0.0079      0  .0034      0
Fe2        0 .17738      0 .256      0.0073 0.0066 0.0081      0  .0017      0
Mg2        0 .17738      0 .279      0.0073 0.0066 0.0081      0  .0017      0
Al2        0 .17738      0 .430      0.0073 0.0066 0.0081      0  .0017      0
Ti2        0 .17738      0 .035      0.0073 0.0066 0.0081      0  .0017      0
Fe3        0      0      0 .454      0.0096 0.0041 0.0075      0  .0014      0
Mg3        0      0      0 .546      0.0096 0.0041 0.0075      0  .0014      0
Ca4        0 .27950     .5 .915      0.0112 0.0093 0.0106      0  .0055      0
Na4        0 .27950     .5 .073      0.0112 0.0093 0.0106      0  .0055      0
O1     .1073  .0896  .2141           0.0100 0.0180 0.0101 -.0027  .0020 -.0012
O2     .1188  .1734  .7333           0.0065 0.0122 0.0116  .0002  .0005  .0014
O3     .1093      0  .7142           0.0110 0.0140 0.0110      0  .0003      0
O4     .3670  .2506  .7932           0.0146 0.0094 0.0160 -.0015  .0068 -.0010
O5     .3501  .1394  .1066           0.0087 0.0160 0.0144 -.0002  .0018  .0058
O6     .3441  .1195  .6019           0.0102 0.0140 0.0123  .0014  .0020 -.0042
O7     .3371      0  .2870           0.0170 0.0160 0.0190      0  .0030      0
Na2/m      0     .5      0 .560      0.2760 0.0900 0.3250      0  .2850      0
H       .291     .5   .263 .670  0.5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 3
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