American Mineralogist Crystal Structure Database

32 matching records for this search.

Okanoganite-(Y)
Download hom/okanoganitey.pdf
Boiocchi M, Callegari A, Ottolini L, Maras A
Download am/vol89/AM89_1540.pdf
American Mineralogist 89 (2004) 1540-1545
The chemistry and crystal structure of okanoganite-(Y) and
comparison with vicanite-(Ce)
Sample: Golden Horn batholith near Washington Pass, Okanogan County
_database_code_amcsd 0003650
10.7108 10.7108 27.0398 90 90 120 R3m
atom      x      y      z occ  Uiso
Ce1  -.1304  .1304 -.3183 .72 .0102
Y1   -.1304  .1304 -.3183 .28 .0102
Ce2  -.1362  .1362  .1005 .75 .0124
Y2   -.1362  .1362  .1005 .25 .0124
Ca3   .1157 -.1157 -.0988 .59 .0184
Y3    .1157 -.1157 -.0988 .41 .0184
Y4    .1214 -.1214  .4681 .71 .0124
Ca4   .1214 -.1214  .4681 .29 .0124
Y5    .1379 -.1379  .2201 .87 .0112
Th5   .1379 -.1379  .2201 .13 .0112
Fe        0      0      0 .77 .0152
Ti        0      0      0 .23 .0152
Si1   .1694 -.1694  .0442     .0131
Si2  -.1707  .1707 -.0402     .0106
B1   -.0791  .0791  .2921     .0208
P3        0      0 -.2123  .6 .0151
Si3       0      0 -.2123  .4 .0151
Na        0      0 -.4242     .0267
O1    .0816 -.0816  .0469     .0169
O2    .1867 -.1867 -.0141     .0172
O3    .3257 -.0667  .0708     .0152
O4   -.0835  .0835 -.0495     .0171
O5   -.1909  .1909  .0188     .0143
O6   -.3312  .0791 -.0626     .0229
O7    .0770 -.0770  .3062     .0138
O8   -.0957  .0957  .2388     .0125
OH9   .0832 -.0832  .1453     .0202
O10       0      0 -.1518     .0254
O11   .1550  .0470 -.2330  .5 .0314
F12  -.0897  .0897 -.4885     .0208
F13       0      0 -.3390     .0199
F14   .0162  .3055 -.1607     .0280
OH        0      0  .4360     .0188
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Piergorite-(Ce)
 
Boiocchi M, Callegari A, Ottolini L
Download am/vol91/AM91_1170.pdf
American Mineralogist 91 (2006) 1170-1177
The crystal structure of piergorite-(Ce),
Ca8Ce2(Al0.5Fe3+0.5)Sum1(X,Li,Be)2Si6B8O36(OH,F)2:
A new borosilicate from Vetralla, Italy,
with a modified hellandite-type chain
Locality: Vetralla, Italy
_database_code_amcsd 0004179
28.097 4.777 10.236 90 96.81 90 P2/a
atom       x      y      z occ  Uiso
CaM3A  .1601 -.0088 -.1185 .98 .0080
CeM3A  .1601 -.0088 -.1185 .02 .0080
CaM3B  .1580 -.0067 -.4445 .99 .0085
CeM3B  .1580 -.0067 -.4445 .01 .0085
CaM4A  .1009  .0342  .2068 .99 .0089
CeM4A  .1009  .0342  .2068 .01 .0089
CaM4B  .2188  .0092  .2401 .95 .0071
CeM4B  .2188  .0092  .2401 .05 .0071
CeM2   .0271 -.0207 -.3248 .46 .0059
CaM2   .0271 -.0207 -.3248 .39 .0059
ThM2   .0271 -.0207 -.3248 .15 .0059
AlM1       0      0      0 .49 .0072
Fe3+M1     0      0      0 .35 .0072
TiM1       0      0      0 .16 .0072
BeT    .0242  .4590  .1671 .27 .0046
LiT    .0242  .4590  .1671 .15 .0046
Si1A   .0720 -.4999 -.0636     .0065
Si1B     .25 -.4967     .5     .0060
Si2A     .25  .4846      0     .0067
Si2B   .0668 -.4797  .4400     .0057
B1A    .2055  .4633 -.2688     .0127
B1B    .1090  .4683 -.3024     .0075
B2A    .1594 -.4597  .3516     .0041
B2B    .1610 -.4667  .0887     .0046
O1     .2052 -.3206  .0369     .0067
O2     .2307  .3055 -.1330     .0148
O3     .2041 -.3107  .4348     .0079
O4     .2310  .3149 -.3803     .0088
O5     .0289 -.2418  .4686     .0093
O6     .0832  .3313 -.4256     .0080
O7     .1159 -.3214  .4018     .0069
O8     .0464  .3115  .3220     .0144
O9     .0329 -.2605 -.1112     .0181
O10    .0846  .3239 -.1923     .0104
O11    .0537  .2708  .0361     .0172
O12    .1188 -.3308  .0040     .0080
O13    .1614  .2406  .0812     .0066
O14    .1601  .2481  .3618     .0062
O15    .1066 -.2380 -.2998     .0075
O16    .1594 -.3405  .2195     .0063
O17    .2099 -.2457 -.2658     .0072
O18    .1575  .3437 -.2852     .0068
OH19   .0241 -.1944  .1615 .88 .0095
F19    .0241 -.1944  .1615 .12 .0095
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Pyrope
Download hom/pyrope.pdf
Oberti R, Quartieri S, Dalconi M C, Boscherini F, Iezzi G, Boiocchi M,
Eeckhout S G
Download am/vol91/AM91_1230.pdf
American Mineralogist 91 (2006) 1230-1239
Site preference and local geometry of Sc in garnets: Part I.
Multifarious mechanisms in the pyrope-grossular join
Locality: synthetic
Sample: prp
_database_code_amcsd 0004180
11.4940 11.4940 11.4940 90 90 90 Ia-3d
atom      x      y      z occ Biso B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3)  B(2,3)
MgX    .125      0    .25 .90  .89 .00101 .00202 .00202      0       0  .00048
ScX    .125      0    .25 .10  .89 .00101 .00202 .00202      0       0  .00048
AlY       0      0      0      .47 .00089 .00089 .00089 .00001  .00001  .00001
SiT    .375      0    .25 .95  .40 .00073 .00077 .00077      0       0       0
MgT    .375      0    .25 .05  .40 .00073 .00077 .00077      0       0       0
O    .03290 .05061 .65349      .59 .00113 .00135 .00089 .00010 -.00015 -.00001
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Grossular
Download hom/grossular.pdf
Oberti R, Quartieri S, Dalconi M C, Boscherini F, Iezzi G, Boiocchi M,
Eeckhout S G
Download am/vol91/AM91_1230.pdf
American Mineralogist 91 (2006) 1230-1239
Site preference and local geometry of Sc in garnets: Part I.
Multifarious mechanisms in the pyrope-grossular join
Locality: synthetic
Sample: prp
_database_code_amcsd 0004181
11.8830 11.8830 11.8830 90 90 90 Ia-3d
atom      x      y      z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
CaX    .125      0    .25 .95  .51 .00064 .00104 .00104      0      0 .00023
ScX    .125      0    .25 .05  .51 .00064 .00104 .00104      0      0 .00023
AlY       0      0      0 .93  .44 .00079 .00079 .00079 .00003 .00003 .00003
ScY       0      0      0 .07  .44 .00079 .00079 .00079 .00003 .00003 .00003
SiT    .375      0    .25 .95  .61 .00096 .00115 .00115      0      0      0
ScT    .375      0    .25 .05  .61 .00096 .00115 .00115      0      0      0
O    .03803 .04587 .65194      .52 .00095 .00101 .00081 .00017 .00002 .00003
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Andradite
Download hom/andradite.pdf
Quartieri S, Oberti R, Boiocchi M, Dalconi M C, Boscherini F , Safonova O,
Woodland A B
Download am/vol91/AM91_1240.pdf
American Mineralogist 91 (2006) 1240-1248
Site preference and local geometry of Sc in garnets: Part II.
The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join
Sample: adr100
_database_code_amcsd 0004182
12.0578 12.0578 12.0578 90 90 90 Ia-3d
atom      x      y      z Biso
CaX    .125      0    .25  .50
FeY       0      0      0  .35
SiZ    .375      0    .25  .27
O    .03940 .04870 .65540  .50
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Andradite
Download hom/andradite.pdf
Quartieri S, Oberti R, Boiocchi M, Dalconi M C, Boscherini F , Safonova O,
Woodland A B
Download am/vol91/AM91_1240.pdf
American Mineralogist 91 (2006) 1240-1248
Site preference and local geometry of Sc in garnets: Part II.
The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join
Locality: synthetic
Sample: adr90CaSc10
_database_code_amcsd 0004183
12.0748 12.0748 12.0748 90 90 90 Ia-3d
atom      x      y      z occ Biso
CaX    .125      0    .25      .50
FeY       0      0      0 .90  .36
ScY       0      0      0 .10  .36
SiZ    .375      0    .25      .42
O    .03924 .04892 .65571      .40
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Andradite
Download hom/andradite.pdf
Quartieri S, Oberti R, Boiocchi M, Dalconi M C, Boscherini F , Safonova O,
Woodland A B
Download am/vol91/AM91_1240.pdf
American Mineralogist 91 (2006) 1240-1248
Site preference and local geometry of Sc in garnets: Part II.
The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join
Locality: synthetic
Sample: adr80CaSc20
_database_code_amcsd 0004184
12.0938 12.0938 12.0938 90 90 90 Ia-3d
atom      x      y      z occ Biso
CaX    .125      0    .25      .53
FeY       0      0      0 .80  .39
ScY       0      0      0 .20  .39
SiZ    .375      0    .25      .39
O    .03945 .04890 .65598      .49
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Andradite
Download hom/andradite.pdf
Quartieri S, Oberti R, Boiocchi M, Dalconi M C, Boscherini F , Safonova O,
Woodland A B
Download am/vol91/AM91_1240.pdf
American Mineralogist 91 (2006) 1240-1248
Site preference and local geometry of Sc in garnets: Part II.
The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join
Locality: synthetic
Sample: adr70CaSc30
_database_code_amcsd 0004185
12.1128 12.1128 12.1128 90 90 90 Ia-3d
atom      x      y      z occ Biso
CaX    .125      0    .25      .52
FeY       0      0      0 .72  .37
ScY       0      0      0 .28  .37
SiZ    .375      0    .25      .38
O    .03950 .04910 .65636      .48
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Andradite
Download hom/andradite.pdf
Quartieri S, Oberti R, Boiocchi M, Dalconi M C, Boscherini F , Safonova O,
Woodland A B
Download am/vol91/AM91_1240.pdf
American Mineralogist 91 (2006) 1240-1248
Site preference and local geometry of Sc in garnets: Part II.
The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join
Locality: synthetic
Sample: adr50CaSc50
_database_code_amcsd 0004186
12.1493 12.1493 12.1493 90 90 90 Ia-3d
atom      x      y      z occ Biso
CaX    .125      0    .25      .54
FeY       0      0      0 .51  .39
ScY       0      0      0 .49  .39
SiZ    .375      0    .25      .41
O    .03965 .04935 .65696      .50
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Ca3Sc1.36Fe.64Si3O12
 
Quartieri S, Oberti R, Boiocchi M, Dalconi M C, Boscherini F , Safonova O,
Woodland A B
Download am/vol91/AM91_1240.pdf
American Mineralogist 91 (2006) 1240-1248
Site preference and local geometry of Sc in garnets: Part II.
The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join
Locality: synthetic
Sample: adr30CaSc70
_database_code_amcsd 0004187
12.1917 12.1917 12.1917 90 90 90 Ia-3d
atom      x      y      z occ Biso
CaX    .125      0    .25      .55
ScY       0      0      0 .68  .39
FeY       0      0      0 .32  .39
SiZ    .375      0    .25      .40
O    .03980 .04966 .65758      .51
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Ca3Sc1.74Fe.26Si3O12
 
Quartieri S, Oberti R, Boiocchi M, Dalconi M C, Boscherini F , Safonova O,
Woodland A B
Download am/vol91/AM91_1240.pdf
American Mineralogist 91 (2006) 1240-1248
Site preference and local geometry of Sc in garnets: Part II.
The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join
Locality: synthetic
Sample: adr10CaSc90
_database_code_amcsd 0004188
12.2273 12.2273 12.2273 90 90 90 Ia-3d
atom      x      y      z occ Biso
CaX    .125      0    .25      .52
ScY       0      0      0 .87  .36
FeY       0      0      0 .13  .36
SiZ    .375      0    .25      .38
O    .04004 .05005 .65812      .42
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Eringaite
 
Quartieri S, Oberti R, Boiocchi M, Dalconi M C, Boscherini F , Safonova O,
Woodland A B
Download am/vol91/AM91_1240.pdf
American Mineralogist 91 (2006) 1240-1248
Site preference and local geometry of Sc in garnets: Part II.
The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join
Locality: synthetic
Sample: CaSc100
_database_code_amcsd 0004189
12.2500 12.2500 12.2500 90 90 90 Ia-3d
atom      x      y      z Biso
CaX    .125      0    .25  .38
ScY       0      0      0  .38
SiZ    .375      0    .25  .38
O    .04004 .05010 .65887  .38
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Aluminotaramite
 
Oberti R, Boiocchi M, Smith D C, Medenbach O
Download am/vol92/AM92_1428.pdf
American Mineralogist 92 (2007) 1428-1435
Aluminotaramite, alumino-magnesiotaramite, and fluoro-alumino-magnesiotaramite:
Mineral data and crystal chemistry
Note: amphibole
Sample: K22-2
Locality: Liset kyanite-eclogite pod, Vestlandet, Norway
_database_code_amcsd 0004419
9.7489 17.9377 5.3233 90 104.539 90 C2/m
atom        x     y     z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
NaA         0    .5     0 .15  2.9  .0061  .0029  .0330      0  .0099      0
KA          0    .5     0 .01  2.9  .0061  .0029  .0330      0  .0099      0
NaAm    .0500    .5 .1065 .15  3.3  .0092  .0037  .0199      0  .0064      0
NaA2        0 .4711     0 .22  2.3  .0055  .0014  .0374      0  .0101      0
CaM4        0 .2799    .5 .51  .83  .0026  .0006  .0086      0  .0029      0
NaM4        0 .2799    .5 .39  .83  .0026  .0006  .0086      0  .0029      0
Fe2+M4      0 .2799    .5 .05  .83  .0026  .0006  .0086      0  .0029      0
CaM4'       0 .2569    .5 .03   .4
NaM4'       0 .2569    .5 .02   .4
MgM1        0 .0904    .5 .54  .60  .0018  .0006  .0045      0  .0012      0
Fe2+M1      0 .0904    .5 .46  .60  .0018  .0006  .0045      0  .0012      0
MgM2        0 .1791     0 .14  .54  .0014  .0004  .0060      0  .0009      0
AlM2        0 .1791     0 .56  .54  .0014  .0004  .0060      0  .0009      0
Fe2+M2      0 .1791     0 .05  .54  .0014  .0004  .0060      0  .0009      0
Fe3+M2      0 .1791     0 .21  .54  .0014  .0004  .0060      0  .0009      0
TiM2        0 .1791     0 .03  .54  .0014  .0004  .0060      0  .0009      0
ZnM2        0 .1791     0 .01  .54  .0014  .0004  .0060      0  .0009      0
MgM3        0     0     0 .28  .53  .0018  .0003  .0048      0  .0007      0
Fe2+M3      0     0     0 .71  .53  .0018  .0003  .0048      0  .0007      0
MnM3        0     0     0 .01  .53  .0018  .0003  .0048      0  .0007      0
SiT1    .2812 .0870 .3001 .56  .45  .0011  .0004  .0046 -.0001  .0005 -.0001
AlT1    .2812 .0870 .3001 .44  .45  .0011  .0004  .0046 -.0001  .0005 -.0001
SiT2    .2928 .1737 .8141      .49  .0012  .0004  .0050 -.0001  .0007  .0000
O1      .1049 .0931 .2096      .77  .0019  .0007  .0067 -.0002  .0012 -.0003
O2      .1199 .1750 .7443      .72  .0014  .0006  .0079      0  .0006  .0002
Oh3     .1104     0 .7068 .93  .89  .0018  .0008  .0093      0  .0005      0
F3      .1104     0 .7068 .07  .89  .0018  .0008  .0093      0  .0005      0
O4      .3700 .2518 .7950      .89  .0029  .0005  .0098 -.0002  .0019  .0002
O5      .3540 .1387 .1049      .97  .0019  .0009  .0088 -.0001  .0004  .0014
O6      .3422 .1187 .6045      .99  .0019  .0009  .0100  .0001  .0009 -.0011
O7      .3368     0 .2788     1.19  .0025  .0010  .0137      0  .0018      0
H        .188     0  .767 .93  1.8
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Alumino-magnesiotaramite
 
Oberti R, Boiocchi M, Smith D C, Medenbach O
Download am/vol92/AM92_1428.pdf
American Mineralogist 92 (2007) 1428-1435
Aluminotaramite, alumino-magnesiotaramite, and fluoro-alumino-magnesiotaramite:
Mineral data and crystal chemistry
Locality: Liset kyanite-eclogite pod, Vestlandet, Norway
Sample: Q99-3
_database_code_amcsd 0004420
9.7899 17.8991 5.3192 90 104.900 90 C2/m
atom        x     y     z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
NaA         0    .5     0 .19  3.2  .0067  .0034  .0314      0  .0089      0
NaAm    .0401    .5 .0980 .12  2.5  .0061  .0031  .0142      0  .0048      0
NaA2        0 .4703     0 .32  2.3  .0056  .0014  .0325      0  .0080      0
CaM4        0 .2806    .5 .61  .77  .0024  .0006  .0079      0  .0022      0
NaM4        0 .2806    .5 .36  .77  .0024  .0006  .0079      0  .0022      0
Fe2+M4      0 .2806    .5 .03  .77  .0024  .0006  .0079      0  .0022      0
MgM1        0 .0901    .5 .79  .55  .0018  .0005  .0041      0  .0009      0
Fe2+M1      0 .0901    .5 .21  .55  .0018  .0005  .0041      0  .0009      0
MgM2        0 .1782     0 .13  .54  .0014  .0004  .0055      0  .0007      0
AlM2        0 .1782     0 .60  .54  .0014  .0004  .0055      0  .0007      0
Fe2+M2      0 .1782     0 .10  .54  .0014  .0004  .0055      0  .0007      0
Fe3+M2      0 .1782     0 .15  .54  .0014  .0004  .0055      0  .0007      0
TiM2        0 .1782     0 .02  .54  .0014  .0004  .0055      0  .0007      0
MgM3        0     0     0 .58  .50  .0017  .0003  .0043      0  .0005      0
Fe2+M3      0     0     0 .42  .50  .0017  .0003  .0043      0  .0005      0
SiT1    .2809 .0869 .3021 .52  .44  .0011  .0004  .0043 -.0001  .0003 -.0001
AlT1    .2809 .0869 .3021 .48  .44  .0011  .0004  .0043 -.0001  .0003 -.0001
SiT2    .2921 .1740 .8158      .43  .0012  .0003  .0042 -.0001  .0005  .0000
O1      .1047 .0920 .2116      .73  .0018  .0007  .0063 -.0002  .0009 -.0002
O2      .1196 .1743 .7427      .68  .0014  .0006  .0068  .0001  .0004  .0000
O3      .1096     0 .7094      .71  .0015  .0006  .0073      0  .0038      0
O4      .3687 .2520 .7944      .73  .0026  .0004  .0074 -.0002  .0020  .0001
O5      .3535 .1399 .1090      .87  .0019  .0008  .0074 -.0001  .0001  .0011
O6      .3425 .1178 .6094      .88  .0018  .0008  .0096      0  .0011 -.0011
O7      .3381     0 .2764     1.09  .0024  .0010  .0115      0  .0017      0
H       .1978     0 .7640       .8
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Fluoro-alumino-magnesiotaramite
 
Oberti R, Boiocchi M, Smith D C, Medenbach O
Download am/vol92/AM92_1428.pdf
American Mineralogist 92 (2007) 1428-1435
Aluminotaramite, alumino-magnesiotaramite, and fluoro-alumino-magnesiotaramite:
Mineral data and crystal chemistry
Locality: Jianchang eclogite, Su-Lu coesite-eclogite province, China
Sample: DJ102-23
_database_code_amcsd 0004421
9.7414 17.9095 5.3335 90 104.672 90 C2/m
atom        x     y     z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
NaA         0    .5     0 .08  2.5  .0070  .0019  .0273      0  .0073      0
NaAm    .0489    .5 .1032 .28  2.3  .0045  .0031  .0160      0  .0048      0
NaA2        0 .4729     0 .18  2.6  .0072  .0014  .0388      0  .0104      0
CaM4        0 .2804    .5 .61  .92  .0031  .0007  .0090      0  .0028      0
NaM4        0 .2804    .5 .38  .92  .0031  .0007  .0090      0  .0028      0
Fe2+M4      0 .2804    .5 .01  .92  .0031  .0007  .0090      0  .0028      0
MgM1        0 .0908    .5 .68  .71  .0025  .0006  .0052      0  .0012      0
Fe2+M1      0 .0908    .5 .32  .71  .0025  .0006  .0052      0  .0012      0
MgM2        0 .1783     0 .11  .61  .0017  .0005  .0062      0  .0011      0
AlM2        0 .1783     0 .52  .61  .0017  .0005  .0062      0  .0011      0
Fe2+M2      0 .1783     0 .02  .61  .0017  .0005  .0062      0  .0011      0
Fe3+M2      0 .1783     0 .34  .61  .0017  .0005  .0062      0  .0011      0
TiM2        0 .1783     0 .01  .61  .0017  .0005  .0062      0  .0011      0
MgM3        0     0     0 .55  .64  .0022  .0004  .0055      0  .0007      0
Fe2+M3      0     0     0 .43  .64  .0022  .0004  .0055      0  .0007      0
MnM3        0     0     0 .02  .64  .0022  .0004  .0055      0  .0007      0
SiT1    .2822 .0870 .3010 .50  .53  .0014  .0005  .0046 -.0001  .0005 -.0001
AlT1    .2822 .0870 .3010 .50  .53  .0014  .0005  .0046 -.0001  .0005 -.0001
SiT2    .2930 .1740 .8156      .52  .0015  .0004  .0045 -.0001  .0006  .0000
O1      .1046 .0917 .2098      .79  .0021  .0007  .0070 -.0002  .0015 -.0004
O2      .1194 .1743 .7444      .72  .0015  .0006  .0073  .0001  .0005  .0000
Oh3     .1096     0 .7079 .48 1.08  .0028  .0008  .0108      0  .0010      0
F3      .1096     0 .7079 .52 1.08  .0028  .0008  .0108      0  .0010      0
O4      .3687 .2529 .7956      .76  .0026  .0005  .0084 -.0002  .0023 -.0001
O5      .3550 .1395 .1064      .94  .0020  .0010  .0081 -.0003  .0007  .0010
O6      .3430 .1193 .6052      .98  .0020  .0009  .0103      0  .0014 -.0009
O7      .3400     0 .2809     1.18  .0025  .0011  .0125      0  .0022      0
H        .205     0  .767 .48  1.0
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Ferro-taramite
 
Oberti R, Boiocchi M, Smith D C, Medenbach O
Download am/vol92/AM92_1428.pdf
American Mineralogist 92 (2007) 1428-1435
Aluminotaramite, alumino-magnesiotaramite, and fluoro-alumino-magnesiotaramite:
Mineral data and crystal chemistry
Note: amphibole, previously named aluminotaramite
Sample: K22-2
Locality: Liset kyanite-eclogite pod, Vestlandet, Norway
_database_code_amcsd 0004419
9.7489 17.9377 5.3233 90 104.539 90 C2/m
atom        x     y     z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
NaA         0    .5     0 .15  2.9  .0061  .0029  .0330      0  .0099      0
KA          0    .5     0 .01  2.9  .0061  .0029  .0330      0  .0099      0
NaAm    .0500    .5 .1065 .15  3.3  .0092  .0037  .0199      0  .0064      0
NaA2        0 .4711     0 .22  2.3  .0055  .0014  .0374      0  .0101      0
CaM4        0 .2799    .5 .51  .83  .0026  .0006  .0086      0  .0029      0
NaM4        0 .2799    .5 .39  .83  .0026  .0006  .0086      0  .0029      0
Fe2+M4      0 .2799    .5 .05  .83  .0026  .0006  .0086      0  .0029      0
CaM4'       0 .2569    .5 .03   .4
NaM4'       0 .2569    .5 .02   .4
MgM1        0 .0904    .5 .54  .60  .0018  .0006  .0045      0  .0012      0
Fe2+M1      0 .0904    .5 .46  .60  .0018  .0006  .0045      0  .0012      0
MgM2        0 .1791     0 .14  .54  .0014  .0004  .0060      0  .0009      0
AlM2        0 .1791     0 .56  .54  .0014  .0004  .0060      0  .0009      0
Fe2+M2      0 .1791     0 .05  .54  .0014  .0004  .0060      0  .0009      0
Fe3+M2      0 .1791     0 .21  .54  .0014  .0004  .0060      0  .0009      0
TiM2        0 .1791     0 .03  .54  .0014  .0004  .0060      0  .0009      0
ZnM2        0 .1791     0 .01  .54  .0014  .0004  .0060      0  .0009      0
MgM3        0     0     0 .28  .53  .0018  .0003  .0048      0  .0007      0
Fe2+M3      0     0     0 .71  .53  .0018  .0003  .0048      0  .0007      0
MnM3        0     0     0 .01  .53  .0018  .0003  .0048      0  .0007      0
SiT1    .2812 .0870 .3001 .56  .45  .0011  .0004  .0046 -.0001  .0005 -.0001
AlT1    .2812 .0870 .3001 .44  .45  .0011  .0004  .0046 -.0001  .0005 -.0001
SiT2    .2928 .1737 .8141      .49  .0012  .0004  .0050 -.0001  .0007  .0000
O1      .1049 .0931 .2096      .77  .0019  .0007  .0067 -.0002  .0012 -.0003
O2      .1199 .1750 .7443      .72  .0014  .0006  .0079      0  .0006  .0002
Oh3     .1104     0 .7068 .93  .89  .0018  .0008  .0093      0  .0005      0
F3      .1104     0 .7068 .07  .89  .0018  .0008  .0093      0  .0005      0
O4      .3700 .2518 .7950      .89  .0029  .0005  .0098 -.0002  .0019  .0002
O5      .3540 .1387 .1049      .97  .0019  .0009  .0088 -.0001  .0004  .0014
O6      .3422 .1187 .6045      .99  .0019  .0009  .0100  .0001  .0009 -.0011
O7      .3368     0 .2788     1.19  .0025  .0010  .0137      0  .0018      0
H        .188     0  .767 .93  1.8
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Ambrinoite
 
Biagioni C, Bonaccorsi E, Pasero M, Moelo Y, Ciriotti M E, Bersani D,
Callegari A M, Boiocchi M
 
American Mineralogist 96 (2011) 878-887
Ambrinoite, (K,NH4)2(As,Sb)8S13*H2O, a new mineral from Upper Susa Valley,
Piedmont, Italy: The first natural (K,NH4)-hydrated sulfosalt
Locality: Upper Susa Valley, Piedmont, Italy
_database_code_amcsd 0019096
9.704 11.579 12.102 112.82 103.44 90.49 P-1
atom      x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K1    .6680  .3331  .6791 .83  .065   .048   .058   .095   .003   .007   .044
N1    .6680  .3331  .6791 .17  .065   .048   .058   .095   .003   .007   .044
H1    .6680  .3331  .6791 .68  .065   .048   .058   .095   .003   .007   .044
K2    .9242  .7592  .4774 .78  .073   .088   .061   .075   .007   .044   .020
N2    .9242  .7592  .4774 .22  .073   .088   .061   .075   .007   .044   .020
H2    .9242  .7592  .4774 .88  .073   .088   .061   .075   .007   .044   .020
SbM1 .39230 .64339 .83575 .54 .0344  .0361  .0278  .0425  .0030  .0154  .0142
AsM1 .39230 .64339 .83575 .46 .0344  .0361  .0278  .0425  .0030  .0154  .0142
SbM2 .01055 .14677 .83795 .57 .0369  .0341  .0298  .0500  .0023  .0109  .0192
AsM2 .01055 .14677 .83795 .43 .0369  .0341  .0298  .0500  .0023  .0109  .0192
AsM3 .66142 .98014 .71276     .0309  .0374  .0280  .0294  .0025  .0071  .0143
AsM4 .66440 .70477 .70910     .0302  .0369  .0269  .0280  .0012  .0062  .0135
AsM5 .24245 .92642 .96400 .92 .0354  .0396  .0292  .0350  .0018  .0088  .0108
SbM5 .24245 .92642 .96400 .08 .0354  .0396  .0292  .0350  .0018  .0088  .0108
AsM6 .00896 .64686 .82178 .80 .0358  .0327  .0285  .0451  .0024  .0087  .0143
SbM6 .00896 .64686 .82178 .20 .0358  .0327  .0285  .0451  .0024  .0087  .0143
AsM7 .38933 .14671 .82502 .75 .0362  .0357  .0302  .0476  .0060  .0153  .0180
SbM7 .38933 .14671 .82502 .25 .0362  .0357  .0302  .0476  .0060  .0153  .0180
AsM8 .23678 .42874 .94031     .0365  .0409  .0282  .0377  .0014  .0091  .0110
S1    .6161  .7814  .5576     .0323   .044   .027   .027   .001   .005   .014
S2    .3786  .3401  .8069     .0404   .047   .033   .054   .006   .023   .024
S3    .8204  .0599  .6437     .0321   .031   .035   .031  -.002   .006   .015
S4    .3974  .8510  .8382     .0371   .044   .031   .045   .004   .017   .021
S5    .4723  .5620  .6432     .0314   .037   .029   .028  -.002   .010   .010
S6    .0114  .3439  .8169     .0367   .036   .032   .045   .004   .005   .021
S7    .8220  .5719  .6362     .0323   .033   .029   .031   .004   .005   .010
S8    .4694  .0630  .6408     .0348   .038   .041   .030   .011   .010   .018
S9    .1611  .0573  .6991     .0368   .035   .030   .040   .002   .012   .010
S10   .1587  .5625  .6931     .0345   .033   .032   .035   .001   .009   .008
S11   .0192  .8485  .8258     .0392   .039   .030   .049   .003   .001   .021
S12   .2637  .2992  .0350     .0398   .040   .053   .031   .005   .007   .023
S13   .2578  .7763  .0381     .0348   .042   .033   .030   .004   .009   .014
Wat   .2172  .7496  .5286      .066   .087   .046   .050   .008  -.004   .014
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Coralloite
 
Callegari A M, Boiocchi M, Ciriotti M E, Balestra C
 
American Mineralogist 97 (2012) 727-734
Coralloite, Mn2+Mn3+2(AsO4)2(OH)2*4H2O, a new mixed valence Mn hydrate arsenate:
crystal structure and relationships with bermanite and whitmoreite mineral groups
Locality: Monte Nero mine, Rocchetta Vara, La Spezia, Liguria, Italy
_database_code_amcsd 0018861
5.5828 9.7660 5.5455 94.467 111.348 93.850 P1
atom        x     y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mn3+M1      0     0      0 .0113  .0084  .0146  .0117  .0034  .0044  .0010
Mn3+M2  .5006 .0047  .4997 .0107  .0081  .0143  .0107  .0037  .0042  .0009
Mn2+M3  .1697 .5046  .3445 .0167  .0175  .0165  .0193  .0033  .0104  .0022
As1     .0643 .1933  .5121 .0109  .0100  .0126  .0120  .0029  .0061  .0014
As2    -.0661 .8037  .4850 .0121  .0100  .0138  .0141  .0029  .0064  .0012
O1     -.0734 .1508  .1866 .0114  .0133  .0119  .0084  .0078  .0026 -.0002
O2      .0608 .8431  .8124 .0160  .0128  .0242  .0141  .0066  .0077  .0031
O3     -.1079 .1081  .6569 .0166  .0138  .0223  .0147 -.0039  .0080  .0004
O4      .1118 .8912  .3496 .0146  .0100  .0172  .0190  .0004  .0080  .0039
O5      .3748 .1571  .6328 .0164  .0153  .0156  .0176  .0047  .0054 -.0012
O6      .6282 .8512  .3668 .0125  .0053  .0205  .0101  .0050  .0012 -.0031
O7      .0459 .3631  .5591 .0165  .0261  .0083  .0222  .0025  .0160  .0082
O8     -.0853 .6376  .4180 .0208  .0083  .0225  .0301  .0040  .0061 -.0030
OH1     .3683 .0667  .1556 .0123  .0078  .0207  .0099  .0015  .0058 -.0015
OH2     .6237 .9414 -.1536 .0130  .0077  .0188  .0136  .0032  .0042  .0058
Wat1    .4615 .3745  .2708 .0348  .0307  .0383  .0492  .0150  .0259  .0208
Wat2    .2816 .6416  .1007 .0187  .0170  .0204  .0179  .0029  .0053  .0028
Wat3   -.1225 .4105 -.0471 .0241  .0220  .0241  .0281  .0021  .0131 -.0048
Wat4    .4961 .6011  .7240 .0349  .0298  .0409  .0313 -.0036  .0103 -.0012
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Eckermannite
Download hom/eckermannite.pdf
Oberti R, Boiocchi M, Hawthorne F C, Ball N A, Harlow G E
 
American Mineralogist 100 (2015) 909-914
Eckermannite revised: The new holotype from the Jade Mine Tract, Myanmar-crystal
structure, mineral data, and hints on the reasons for the rarity of eckermannite
Note: Sample AMNH H108401
Locality: Jade Mine Tract, Kachin Province, Myanmar
_database_code_amcsd 0020422
9.8087 17.8448 5.2905 90 103.6600 90 C2/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)
Na1       0 .27541     .5 .945 .0192  .0211  .0171  .0217      0  .0099      0
Ca1       0 .27541     .5 .055 .0192  .0211  .0171  .0217      0  .0099      0
Na2       0     .5      0 .289 .0207  .0098  .0300  .0276      0  .0150      0
K2        0     .5      0 .021 .0207  .0098  .0300  .0276      0  .0150      0
Na3   .0259     .5  .0717 .118 .0381  .0370  .0416  .0328      0  .0026      0
K3    .0259     .5  .0717 .009 .0381  .0370  .0416  .0328      0  .0026      0
Na4       0  .4733      0 .207 .0392  .0394  .0139  .0769      0  .0380      0
K4        0  .4733      0 .014 .0392  .0394  .0139  .0769      0  .0380      0
Mg1       0 .09002     .5  .95 .0102  .0107  .0108  .0088      0  .0019      0
Fe1       0 .09002     .5  .05 .0102  .0107  .0108  .0088      0  .0019      0
Mg2       0 .18130      0 .512 .0103  .0097  .0113  .0096      0  .0018      0
Al1       0 .18130      0  .31 .0103  .0097  .0113  .0096      0  .0018      0
Fe2       0 .18130      0 .178 .0103  .0097  .0113  .0096      0  .0018      0
Mg3       0      0      0  .96 .0098  .0110  .0098  .0078      0  .0010      0
Fe3       0      0      0  .03 .0098  .0110  .0098  .0078      0  .0010      0
Mn3       0      0      0  .01 .0098  .0110  .0098  .0078      0  .0010      0
Si1  .27930 .08630 .29240      .0085  .0083  .0094  .0074 -.0003  .0009 -.0002
Si2  .28706 .17250 .80083      .0093  .0098  .0098  .0080 -.0011  .0016  .0001
O1   .11100 .08805 .21287      .0108  .0089  .0132  .0102 -.0013  .0022 -.0019
O2   .11802 .16990 .73412      .0118  .0110  .0118  .0110      0 -.0010 -.0005
O3   .10828      0 .70978 .985 .0134  .0116  .0144  .0135      0  .0017      0
F3   .10828      0 .70978 .015 .0134  .0116  .0144  .0135      0  .0017      0
O4   .36274 .25079 .79757      .0147  .0197  .0113  .0137 -.0041  .0052  .0002
O5   .34970 .12893 .08338      .0130  .0097  .0181  .0105 -.0006  .0008  .0038
O6   .34156 .11827 .58486      .0138  .0125  .0182  .0098  .0003  .0009 -.0034
O7   .33725      0 .28952      .0146  .0138  .0106  .0190      0  .0032      0
H1    .2036      0  .7404 .985  .013
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Periclase
Download hom/periclase.pdf
Boiocchi M, Caucia F, Merli M, Prella D, Ungaretti L
 
European Journal of Mineralogy 13 (2001) 871-881
Crystal-chemical reasons for the immiscibility of periclase and wustite
under lithospheric P,T conditions
Sample: Per.synt
_database_code_amcsd 0006901
4.2113 4.2113 4.2113 90 90 90 Fm-3m
atom   x   y   z Biso
Mg     0   0   0  .35
O     .5  .5  .5  .36
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Periclase
Download hom/periclase.pdf
Boiocchi M, Caucia F, Merli M, Prella D, Ungaretti L
 
European Journal of Mineralogy 13 (2001) 871-881
Crystal-chemical reasons for the immiscibility of periclase and wustite
under lithospheric P,T conditions
Sample: Per.4041
_database_code_amcsd 0006902
4.2154 4.2154 4.2154 90 90 90 Fm-3m
atom   x   y   z  occ Biso
Mg     0   0   0 .974  .35
Fe     0   0   0 .026  .35
O     .5  .5  .5       .36
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Periclase
Download hom/periclase.pdf
Boiocchi M, Caucia F, Merli M, Prella D, Ungaretti L
 
European Journal of Mineralogy 13 (2001) 871-881
Crystal-chemical reasons for the immiscibility of periclase and wustite
under lithospheric P,T conditions
Sample: Per.3363
_database_code_amcsd 0006903
4.2178 4.2178 4.2178 90 90 90 Fm-3m
atom   x   y   z  occ Biso
Mg     0   0   0 .958  .34
Fe     0   0   0 .042  .34
O     .5  .5  .5       .37
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Periclase
Download hom/periclase.pdf
Boiocchi M, Caucia F, Merli M, Prella D, Ungaretti L
 
European Journal of Mineralogy 13 (2001) 871-881
Crystal-chemical reasons for the immiscibility of periclase and wustite
under lithospheric P,T conditions
Sample: after heating to 1100 deg C
_database_code_amcsd 0006904
4.212 4.212 4.212 90 90 90 Fm-3m
atom   x   y   z occ Biso
Mg     0   0   0 .99  .35
Fe     0   0   0 .01  .35
O     .5  .5  .5      .36
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Magnesioferrite
Download hom/magnesioferrite.pdf
Boiocchi M, Caucia F, Merli M, Prella D, Ungaretti L
 
European Journal of Mineralogy 13 (2001) 871-881
Crystal-chemical reasons for the immiscibility of periclase and wustite
under lithospheric P,T conditions
Sample: after heating to 1100 deg C
_database_code_amcsd 0006905
8.385 8.385 8.385 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z occ Biso
MgT   .125  .125  .125 .30  .43
FeT   .125  .125  .125 .70  .43
MgM     .5    .5    .5 .37  .48
FeM     .5    .5    .5 .63  .48
O    .2566 .2566 .2566      .51
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Potassic-ferro-taramite
 
Oberti R, Boiocchi M, Smith D C, Medenbach O, Helmers H
 
European Journal of Mineralogy 20 (2008) 1005-1010
Potassic-aluminotaramite from Sierra de los Filabres, Spain
Locality: Sierra de los Filabres, Spain
_database_code_amcsd 0007271
9.8505 18.0075 5.3518 90 104.775 90 C2/m
atom       x     y     z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
NaA        0    .5     0 .19 1.43  .0019  .0021  .0094      0  .0016      0
KA         0    .5     0 .36 1.43  .0019  .0021  .0094      0  .0016      0
NaAm   .0350    .5 .0765 .13  1.7  .0042  .0020  .0095      0  .0010      0
KAm    .0350    .5 .0765 .25  1.7  .0042  .0020  .0095      0  .0010      0
NaA2       0 .4625     0 .02  2.1  .0053  .0001  .0375      0  .0039      0
KA2        0 .4625     0 .05  2.1  .0053  .0001  .0375      0  .0039      0
CaM4       0 .2819    .5 .57  .74  .0026  .0005  .0071      0  .0024      0
NaM4       0 .2819    .5 .42  .74  .0026  .0005  .0071      0  .0024      0
Fe2+M4     0 .2819    .5 .01  .74  .0026  .0005  .0071      0  .0024      0
MgM1       0 .0919    .5 .15  .57  .0021  .0005  .0035      0  .0013      0
FeM1       0 .0919    .5 .85  .57  .0021  .0005  .0035      0  .0013      0
AlM2       0 .1805     0 .63  .53  .0016  .0004  .0053      0  .0008      0
Fe2+M2     0 .1805     0 .11  .53  .0016  .0004  .0053      0  .0008      0
Fe3+M2     0 .1805     0 .23  .53  .0016  .0004  .0053      0  .0008      0
TiM2       0 .1805     0 .03  .53  .0016  .0004  .0053      0  .0008      0
MgM3       0     0     0 .03  .55  .0021  .0003  .0041      0  .0005      0
Fe2+M3     0     0     0 .87  .55  .0021  .0003  .0041      0  .0005      0
MnM3       0     0     0 .10  .55  .0021  .0003  .0041      0  .0005      0
SiT1   .2769 .0880 .3027  .5  .46  .0015  .0004  .0034  .0000  .0005 -.0001
AlT1   .2769 .0880 .3027  .5  .46  .0015  .0004  .0034  .0000  .0005 -.0001
SiT2   .2917 .1742 .8172      .45  .0015  .0003  .0036 -.0001  .0007 -.0001
O1     .1020 .0959 .2072      .75  .0022  .0007  .0058 -.0001  .0011 -.0001
O2     .1204 .1774 .7476      .69  .0017  .0006  .0060  .0000  .0006 -.0001
O3     .1099     0 .7081      .87  .0023  .0007  .0076      0  .0009      0
O4     .3712 .2511 .7995      .75  .0029  .0004  .0064 -.0002  .0019 -.0001
O5     .3517 .1374 .1049      .85  .0020  .0008  .0068  .0000  .0004  .0011
O6     .3393 .1200 .6057      .89  .0021  .0008  .0087  .0001  .0011 -.0009
O7     .3282     0 .2922     1.22  .0029  .0010  .0120      0  .0012      0
H       .192     0  .749      1.1
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Aschamalmite
Download hom/aschamalmite.pdf
Callegari A M, Boiocchi M
 
Mineralogical Magazine 73 (2009) 83-94
Aschamalmite (Pb6Bi2S9): crystal structure and ordering scheme for Pb and Bi atoms
Locality: Susa Valley, Piedmont, Italy
_database_code_amcsd 0014588
13.719 4.132 31.419 90 90.94 90 C2/m
atom       x y     z occ  Uiso
PbMe1  .4215 0 .2462     .0364
PbMe2A    .5 0     0 .76 .0149
BiMe2A    .5 0     0 .24 .0149
PbMe2B    .5 0    .5 .86 .0145
BiMe2B    .5 0    .5 .14 .0145
PbMe3A .2298 0 .0580     .0163
PbMe3B .2279 0 .4419 .99 .0152
BiMe3B .2279 0 .4419 .01 .0152
BiMe4A .6883 0 .1749 .61 .0175
PbMe4A .6883 0 .1749 .39 .0175
BiMe4B .6773 0 .3253 .84 .0172
PbMe4B .6773 0 .3253 .16 .0172
PbMe5A .9601 0 .1188 .62 .0163
BiMe5A .9601 0 .1188 .38 .0163
BiMe5B .9523 0 .3803 .73 .0140
PbMe5B .9523 0 .3803 .27 .0140
S1A    .0552 0 .1948     .0205
S1B    .0381 0 .3047     .0249
S2A    .5891 0 .0858     .0198
S2B    .5812 0 .4132     .0199
S3     .7814 0 .2491     .0195
S4A    .3291 0 .1474     .0213
S4B    .3240 0 .3564     .0232
S5A    .8614 0 .0265     .0192
S5B    .8600 0 .4718     .0161
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Ferro-fluoro-pedrizite
 
Oberti R, Boiocchi M, Ball N A, Hawthorne F C
 
Mineralogical Magazine 73 (2009) 487-494
Fluoro-sodic-ferropedrizite, NaLi2(Fe2+2Al2Li)Si8O22F2, a new mineral of the amphibole
group from the Sutlug River, Tuva Republic, Russia: description and crystal structure
Locality: Sutlug River, Tuva Republic, Russia
_database_code_amcsd 0017596
9.3720 17.6312 5.2732 90 102.247 90 C2/m
atom     x     y     z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
NaA      0    .5     0 .03 3.28   .192   .009   .346      0   .219      0
NaAm .0715    .5 .1452 .32 2.37   .102   .015   .233      0   .114      0
LiM4     0 .2571    .5 .95 1.59   .040   .020   .095      0   .024      0
NaM4     0 .2571    .5 .03 1.59   .040   .020   .095      0   .024      0
CaM4     0 .2571    .5 .02 1.59   .040   .020   .095      0   .024      0
MgM1     0 .0894    .5 .55  .54   .018   .005   .049      0   .011      0
FeM1     0 .0894    .5 .44  .54   .018   .005   .049      0   .011      0
ZnM1     0 .0894    .5 .01  .54   .018   .005   .049      0   .011      0
AlM2     0 .1794     0 .99  .42   .011   .003   .043      0   .005      0
FeM2     0 .1794     0 .01  .42   .011   .003   .043      0   .005      0
LiM3     0     0     0 .66  .33   .014   .002   .028      0      0      0
FeM3     0     0     0 .26  .33   .014   .002   .028      0      0      0
MnM3     0     0     0 .08  .33   .014   .002   .028      0      0      0
SiT1 .2844 .0879 .2787      .35   .010   .003   .035      0   .004      0
SiT2 .2974 .1738 .7919      .37   .010   .003   .034  -.001   .004  -.001
O1   .1088 .0943 .1986      .50   .012   .004   .055      0   .006      0
O2   .1198 .1750 .7416      .56   .013   .006   .052      0   .006      1
OH3  .1173     0 .6948 .49  .93   .026   .007   .101      0   .007      0
F3    .195     0  .730 .51  .48
O4   .3773 .2532 .7914      .68   .020   .004   .077  -.004   .006      0
O5   .3579 .1290 .0648      .77   .016   .009   .064      0   .009   .013
O6   .3462 .1234 .5626      .85   .016   .010   .065   .002   .002  -.012
O7   .3367     0 .2875      .81   .020   .003   .131      0   .015      0
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Fluoro-potassic-magnesio-arfvedsonite
 
Oberti R, Boiocchi M, Hawthorne F C, Robinson P
 
Mineralogical Magazine 74 (2010) 951-960
Crystal structure and crystal chemistry of fluoro-potassic-magnesio-arfvedsonite
from Monte Metocha, Xixano region, Mozambique, and discussion of the holotype
from Quebec, Canada
Locality: Monte Metocha, Xixano region, Mozambique
_database_code_amcsd 0018304
9.9591 17.9529 5.2867 90 104.340 90 C2/m
atom       x     y     z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
KAm    .0313    .5 .0701  .49 1.59  .0056  .0010  .0195      0  .0079      0
NaM4       0 .2775    .5 .905 1.35  .0043  .0008  .0164      0  .0048      0
CaM4       0 .2775    .5 .095 1.35  .0043  .0008  .0164      0  .0048      0
MgM1       0 .0894    .5  .77  .76  .0022  .0007  .0063      0  .0013      0
Fe2+M1     0 .0894    .5  .17  .76  .0022  .0007  .0063      0  .0013      0
TiM1       0 .0894    .5  .06  .76  .0022  .0007  .0063      0  .0013      0
Fe3+M2     0 .1825     0 .450  .57  .0016  .0004  .0055      0  .0008      0
MgM2       0 .1825     0 .340  .57  .0016  .0004  .0055      0  .0008      0
Fe2+M2     0 .1825     0 .200  .57  .0016  .0004  .0055      0  .0008      0
AlM2       0 .1825     0 .005  .57  .0016  .0004  .0055      0  .0008      0
ZnM2       0 .1825     0 .005  .57  .0016  .0004  .0055      0  .0008      0
MgM3       0     0     0  .87  .58  .0020  .0004  .0046      0  .0006      0
Fe2+M3     0     0     0  .09  .58  .0020  .0004  .0046      0  .0006      0
MnM3       0     0     0  .04  .58  .0020  .0004  .0046      0  .0006      0
SiT1   .2758 .0858 .2976       .47  .0014  .0004  .0041      0  .0006 -.0001
SiT2   .2853 .1714 .8040       .47  .0014  .0004  .0041 -.0001  .0007 -.0001
O1     .1098 .0877 .2161       .67  .0014  .0006  .0064 -.0001  .0008 -.0001
O2     .1181 .1696 .7305       .68  .0016  .0006  .0063      0  .0006 -.0001
F3     .1048     0 .7119 .515  .90  .0026  .0007  .0080      0  .0009      0
O3     .1048     0 .7119 .485  .90  .0026  .0007  .0080      0  .0009      0
O4     .3608 .2491 .8014       .89  .0031  .0005  .0080 -.0005  .0015 -.0001
O5     .3441 .1284 .0886       .76  .0019  .0008  .0062      0  .0012  .0008
O6     .3393 .1189 .5877       .79  .0022  .0007  .0054      0  .0008 -.0007
O7     .3307     0 .3056       .84  .0024  .0004  .0114      0  .0016      0
H       .188     0  .740 .365  .80
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Potassic-fluoro-pargasite
 
Oberti R, Boiocchi M, Hawthorne F C, Pagano R, Pagano A
 
Mineralogical Magazine 74 (2010) 961-967
Fluoro-potassic-pargasite, KCa2(Mg4Al)(Si6Al2)O22F2, from the
Tranomaro area, Madagascar: mineral description and crystal chemistry
Locality: Tranomaro area, Madagascar
_database_code_amcsd 0018305
9.9104 17.9739 5.3205 90 105.534 90 C2/m
atom       x     y     z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
KA         0    .5     0 .233 2.85  .0094  .0020  .0375      0  .0170      0
NaA        0    .5     0 .095 2.85  .0094  .0020  .0375      0  .0170      0
CaA        0    .5     0 .010 2.85  .0094  .0020  .0375      0  .0170      0
KAm    .0269    .5 .0542 .206 2.65  .0086  .0017  .0350      0  .0138      0
NaAm   .0269    .5 .0542 .083 2.65  .0086  .0017  .0350      0  .0138      0
CaAm   .0269    .5 .0542 .009 2.65  .0086  .0017  .0350      0  .0138      0
KA2        0 .5369     0 .023 1.75
NaA2       0 .5369     0 .010 1.75
CaA2       0 .5369     0 .001 1.75
CaM4       0 .2808    .5       .71  .0022  .0005  .0074      0  .0019      0
MgM1       0 .0899    .5  .93  .63  .0019  .0005  .0048      0  .0011      0
Fe2+M1     0 .0899    .5  .07  .63  .0019  .0005  .0048      0  .0011      0
MgM2       0 .1761     0 .425  .55  .0015  .0004  .0050      0  .0008      0
AlM2       0 .1761     0 .395  .55  .0015  .0004  .0050      0  .0008      0
Fe2+M2     0 .1761     0 .020  .55  .0015  .0004  .0050      0  .0008      0
Fe3+M2     0 .1761     0 .135  .55  .0015  .0004  .0050      0  .0008      0
TiM2       0 .1761     0 .025  .55  .0015  .0004  .0050      0  .0008      0
MgM3       0     0     0  .93  .60  .0018  .0005  .0046      0  .0005      0
Fe2+M3     0     0     0  .06  .60  .0018  .0005  .0046      0  .0005      0
Mn2+M3     0     0     0  .01  .60  .0018  .0005  .0046      0  .0005      0
SiT1   .2784 .0863 .3065   .5  .50  .0013  .0004  .0046 -.0001  .0005      0
AlT1   .2784 .0863 .3065   .5  .50  .0013  .0004  .0046 -.0001  .0005      0
SiT2   .2906 .1742 .8172  .95  .53  .0014  .0005  .0046      0  .0008  .0001
AlT2   .2906 .1742 .8172  .05  .53  .0014  .0005  .0046      0  .0008  .0001
O1     .1039 .0894 .2159       .78  .0020  .0008  .0060 -.0003  .0011 -.0004
O2     .1188 .1740 .7368       .75  .0017  .0006  .0072      0  .0004  .0001
F3     .1055     0 .7137  .63  .86  .0023  .0007  .0079      0  .0011      0
O3     .1055     0 .7137  .37  .86  .0023  .0007  .0079      0  .0011      0
O4     .3679 .2517 .7933       .91  .0032  .0006  .0088 -.0001  .0024      0
O5     .3504 .1403 .1152       .93  .0023  .0008  .0077      0  .0005  .0007
O6     .3438 .1189 .6120       .97  .0023  .0008  .0097  .0001  .0013 -.0008
O7     .3361     0 .2914      1.24  .0029  .0008  .0149      0  .0012      0
H       .166     0  .751  .37  1.0
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Capranicaite
 
Callegari A M, Boiocchi M, Bellatreccia F, Caprilli E, Medenbach O, Cavallo A
 
Mineralogical Magazine 75 (2011) 33-43
Capranicaite, (K,_)(Ca,Na)Al4B4Si2O18: a new inosilicate from Capranica,
Italy, with a peculiar topology of the periodic single chain [Si2O6]
Locality: Vico volcanic complex, Capranica, Viterbo Province, Latium, Italy
_database_code_amcsd 0018373
4.8507 16.6156 20.5445 90 90.245 90 P2_1/n
atom      x     y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si1   .8024 .8570 .2496     .0160  .0155  .0198  .0126 -.0027  .0007  .0000
Si2   .1980 .4693 .2506     .0151  .0135  .0187  .0129 -.0015  .0002  .0000
Al1   .2517 .5357 .3947     .0099  .0083  .0100  .0115 -.0001  .0002 -.0002
Al2   .2483 .5357 .1058     .0099  .0080  .0101  .0116 -.0002  .0001  .0005
Al3   .7544 .7945 .1044     .0107  .0116  .0083  .0122 -.0003  .0005 -.0003
Al4   .7456 .7951 .3954     .0106  .0115  .0083  .0118 -.0007  .0010  .0003
B1    .2542 .7072 .0809     .0155  .0067  .0057  .0343 -.0003  .0002 -.0011
B2    .2457 .7074 .4186     .0166  .0051  .0040  .0408  .0012  .0003  .0000
B3    .7489 .4582 .4295     .0105  .0107  .0111  .0097  .0006  .0002 -.0008
B4   -.2496 .4584 .0703     .0116  .0102  .0103  .0142 -.0001  .0003  .0004
CaM1  .7377 .6289 .0037 .60 .0138  .0140  .0131  .0144  .0000  .0002 -.0001
NaM1  .7377 .6289 .0037 .40 .0138  .0140  .0131  .0144  .0000  .0002 -.0001
CaM2  .2395 .3706 .5038 .61 .0134  .0134  .0125  .0142  .0001 -.0001 -.0001
NaM2  .2395 .3706 .5038 .39 .0134  .0134  .0125  .0142  .0001 -.0001 -.0001
KA    .7125 .6337 .2500 .72 .0600  .0587  .0243  .0970 -.0056  .0076  .0015
CsA   .7125 .6337 .2500 .07 .0600  .0587  .0243  .0970 -.0056  .0076  .0015
O1    .6193 .9387 .2484     .0304  .0136  .0288  .0487  .0007  .0011  .0016
O2    .1196 .8883 .2496     .0309  .0148  .0249  .0529 -.0020  .0012  .0007
O3    .7474 .8015 .1873     .0285  .0396  .0323  .0135 -.0067 -.0005 -.0032
O4    .7459 .8033 .3126     .0290  .0361  .0359  .0149 -.0067  .0005  .0038
O5    .2490 .5250 .1883     .0284  .0396  .0322  .0135 -.0049 -.0002  .0051
O6    .2570 .5256 .3121     .0289  .0392  .0343  .0132 -.0082  .0012 -.0031
O7    .5277 .7173 .4212     .0166  .0099  .0113  .0286 -.0008 -.0001  .0040
O8    .4265 .7727 .0724     .0164  .0128  .0118  .0245 -.0031 -.0022  .0045
O9    .9724 .7173 .0774     .0169  .0104  .0105  .0298  .0008 -.0006 -.0034
O10   .0730 .7729 .4273     .0172  .0130  .0127  .0257  .0032 -.0015 -.0046
O11   .0314 .4656 .4312     .0144  .0095  .0113  .0223  .0000  .0006  .0033
O12  -.0836 .5250 .0727     .0154  .0107  .0100  .0256 -.0017 -.0035  .0025
O13   .4690 .4660 .0690     .0155  .0090  .0123  .0252  .0005  .0000 -.0039
O14   .5844 .5251 .4275     .0160  .0102  .0119  .0259  .0015 -.0026 -.0018
O15   .6346 .8830 .4346     .0169  .0137  .0094  .0276 -.0016  .0059 -.0023
O16   .8666 .8830 .0662     .0162  .0144  .0083  .0259  .0018  .0051  .0015
O17   .1332 .6311 .4179     .0172  .0115  .0093  .0310 -.0013  .0025 -.0010
O18   .3680 .6313 .0836     .0180  .0115  .0111  .0313  .0004  .0023  .0017
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Ferri-fluoro-leakeite
 
Oberti R, Boiocchi M, Hawthorne F C, Kristiansen R
 
Mineralogical Magazine 78 (2014) 861-869
Ferri-fluoro-leakeite: a second occurrence at Bratthagen (Norway), with new
data on Zn partitioning and the oxo component in Na amphiboles
Locality: Bratthagen nepheline syenite pegmatite, Vestfold County, Norway
_database_code_amcsd 0020505
9.7879 17.8263 5.2822 90 104.195 90 C2/m
atom        x      y      z   occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
NaA         0     .5      0 .2267 2.25  .0067  .0021  .0224      0  .0098      0
KA          0     .5      0 .1067 2.25  .0067  .0021  .0224      0  .0098      0
NaAm   .03800     .5 .08142 .2267 2.00  .0077  .0014  .0210      0  .0099      0
KAm    .03800     .5 .08142 .1067 2.00  .0077  .0014  .0210      0  .0099      0
MgM1        0 .08684     .5  .755  .84  .0026  .0007  .0070      0  .0015      0
FeM1        0 .08684     .5   .11  .84  .0026  .0007  .0070      0  .0015      0
MnM1        0 .08684     .5  .105  .84  .0026  .0007  .0070      0  .0015      0
ZnM1        0 .08684     .5   .03  .84  .0026  .0007  .0070      0  .0015      0
ZnM2        0 .17950      0  .115  .66  .0020  .0005  .0059      0  .0010      0
Fe2+M2      0 .17950      0   .01  .66  .0020  .0005  .0059      0  .0010      0
Fe3+M2      0 .17950      0   .75  .66  .0020  .0005  .0059      0  .0010      0
AlM2        0 .17950      0  .115  .66  .0020  .0005  .0059      0  .0010      0
TiM2        0 .17950      0   .01  .66  .0020  .0005  .0059      0  .0010      0
LiM3        0      0      0   .78  .93  .0029  .0006  .0089      0  .0009      0
MgM3        0      0      0   .18  .93  .0029  .0006  .0089      0  .0009      0
MnM3        0      0      0   .04  .93  .0029  .0006  .0089      0  .0009      0
NaM4        0 .27692     .5  .995 1.42  .0047  .0010  .0149      0  .0047      0
MnM4        0 .27692     .5  .005 1.42  .0047  .0010  .0149      0  .0047      0
SiT1   .27835 .08608 .29590        .62  .0020  .0005  .0055  .0000  .0010 -.0001
SiT2   .28890 .17125 .80506        .61  .0018  .0005  .0050 -.0001  .0009 -.0001
O1     .10999 .09052 .21480        .77  .0018  .0007  .0072 -.0001  .0009  .0001
O2     .11870 .16982 .73519        .76  .0020  .0008  .0060 -.0001  .0009 -.0001
O3     .11156      0 .69993       1.20  .0035  .0009  .0111      0  .0006      0
O4     .36408 .25057 .80404        .95  .0032  .0006  .0089 -.0005  .0014  .0000
O5     .35024 .12889 .08870        .88  .0024  .0009  .0064  .0000  .0013  .0008
O6     .34317 .11995 .58672        .88  .0024  .0009  .0067  .0000  .0012 -.0007
F7     .33512      0 .30177  .795 1.05  .0031  .0005  .0132      0  .0011      0
OH7    .33512      0 .30177  .205 1.05  .0031  .0005  .0132      0  .0011      0
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Wallisite
Download hom/wallisite.pdf
Boiocchi M, Callegari A
 
Neues Jahrbuch fur Mineralogie, Monatshefte 2003 (2003) 396-406
Crystal structure refinement of a wallisite-hatchite solid solution
Locality: Binnatal, Switzerland
_database_code_amcsd 0018394
9.0707 7.7868 8.0386 65.828 65.047 74.220 P-1
atom     x     y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb1  .5954 .2473 .4618     .0227  .0286  .0179  .0203 -.0067 -.0080 -.0034
Tl1  .1275 .3069 .1450     .0426  .0411  .0590  .0329 -.0115 -.0161 -.0137
Ag1  .0863 .1142 .7580 .35 .0403  .0499  .0257  .0491 -.0076 -.0342  .0032
Cu1  .0863 .1142 .7580 .65 .0403  .0499  .0257  .0491 -.0076 -.0342  .0032
As1  .1906 .5446 .3801     .0190  .0228  .0177  .0185 -.0067 -.0088 -.0039
As2  .3638 .9008 .9628     .0197  .0248  .0174  .0173 -.0051 -.0087 -.0034
S1   .5493 .3703 .8208     .0228  .0231  .0225  .0167 -.0047 -.0064 -.0003
S2   .2418 .3693 .6564     .0243  .0278  .0275  .0165 -.0079 -.0089 -.0025
S3   .4152 .1292 .2995     .0205  .0241  .0181  .0171 -.0066 -.0072 -.0013
S4   .0818 .8219 .4280     .0271  .0263  .0219  .0300 -.0049 -.0046 -.0101
S5   .1754 .8013 .9214     .0285  .0238  .0388  .0253 -.0111 -.0066 -.0107
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Total number of retrieved datasets: 32
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