American Mineralogist Crystal Structure Database

37 matching records for this search.

Piemontite
Download hom/piemontite.pdf
Nagashima M, Akasaka M
Download am/vol89/AM89_1119.pdf
American Mineralogist 89 (2004) 1119-1129
An X-ray Rietveld study of piemontite on the join
Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis
Sample: q = 0.5, p = 0.5, Synthesis at P=350 MPa, T=500 C
_database_code_amcsd 0003586
8.856 5.6291 10.148 90 115.516 90 P2_1/m
atom     x    y    z occ
Ca1   .757  3/4 .155
Ca2   .603  3/4 .421
AlM1     0    0    0 .99
MnM1     0    0    0 .01
AlM2     0    0  1/2 .96
AlM2     0    0  1/2 .04
AlM3  .298  .25 .222 .55
MnM3  .298  .25 .222 .45
Si1   .332  3/4 .046
Si2   .682  .25 .275
Si3   .186  3/4 .317
O1    .232 .991 .036
O2    .301 .986 .358
O3    .789 .013 .352
O4    .065  .25 .135
O5    .042  3/4 .147
O6    .063  3/4 .399
O7    .521  3/4 .181
O8    .521  .25 .303
O9    .632  .25 .095
OH10  .075  .25 .424
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Piemontite
Download hom/piemontite.pdf
Nagashima M, Akasaka M
Download am/vol89/AM89_1119.pdf
American Mineralogist 89 (2004) 1119-1129
An X-ray Rietveld study of piemontite on the join
Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis
Sample: q = 0.75, p = 0.75, Synthesis at P=200 MPa, T=500 C
_database_code_amcsd 0003587
8.8530 5.6596 10.1501 90 115.511 90 P2_1/m
atom     x    y    z occ
Ca1   .756  3/4 .153
Ca2   .603  3/4 .424
AlM1     0    0    0 .92
MnM1     0    0    0 .08
AlM2     0    0  1/2 .98
MnM2     0    0  1/2 .02
AlM3  .295  .25 .223 .35
MnM3  .295  .25 .223 .65
Si1   .337  3/4 .045
Si2   .681  .25 .275
Si3   .186  3/4 .320
O1    .235 .989 .034
O2    .305 .980 .355
O3    .794 .017 .343
O4    .064  .25 .132
O5    .042  3/4 .148
O6    .068  3/4 .406
O7    .517  3/4 .181
O8    .522  .25 .309
O9    .621  .25 .095
OH10  .080  .25 .424
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Piemontite
Download hom/piemontite.pdf
Nagashima M, Akasaka M
Download am/vol89/AM89_1119.pdf
American Mineralogist 89 (2004) 1119-1129
An X-ray Rietveld study of piemontite on the join
Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis
Sample: q = 0.75, p = 0.75, Synthesis at P=350 MPa, T=500 C
_database_code_amcsd 0003588
8.8548 5.6541 10.1546 90 115.514 90 P2_1/m
atom     x    y    z occ
Ca1   .756  3/4 .154
Ca2   .600  3/4 .424
AlM1     0    0    0 .87
MnM1     0    0    0 .13
AlM2     0    0  1/2 .97
MnM2     0    0  1/2 .03
AlM3  .298  .25 .222 .42
MnM3  .298  .25 .222 .58
Si1   .337  3/4 .045
Si2   .685  .25 .275
Si3   .188  3/4 .319
O1    .231 .990 .034
O2    .308 .979 .358
O3    .794 .017 .342
O4    .059  .25 .133
O5    .044  3/4 .149
O6    .065  3/4 .405
O7    .515  3/4 .173
O8    .520  .25 .302
O9    .619  .25 .097
OH10  .089  .25 .426
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Piemontite
Download hom/piemontite.pdf
Nagashima M, Akasaka M
Download am/vol89/AM89_1119.pdf
American Mineralogist 89 (2004) 1119-1129
An X-ray Rietveld study of piemontite on the join
Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis
Sample: q = 1.0, p = 1.00, Synthesis at P=200 MPa, T=500 C
_database_code_amcsd 0003589
8.8531 5.6741 10.1613 90 115.519 90 P2_1/m
atom     x    y    z occ
Ca1   .756  3/4 .156
Ca2   .601  3/4 .424
AlM1     0    0    0 .86
MnM1     0    0    0 .14
AlM2     0    0  1/2 .95
MnM2     0    0  1/2 .05
AlM3  .300  .25 .221 .19
MnM3  .300  .25 .221 .81
Si1   .335  3/4 .046
Si2   .687  .25 .274
Si3   .184  3/4 .321
O1    .236 .982 .033
O2    .310 .974 .359
O3    .794 .018 .336
O4    .061  .25 .133
O5    .038  3/4 .151
O6    .070  3/4 .407
O7    .519  3/4 .189
O8    .526  .25 .308
O9    .615  .25 .097
OH10  .081  .25 .420
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Piemontite
Download hom/piemontite.pdf
Nagashima M, Akasaka M
Download am/vol89/AM89_1119.pdf
American Mineralogist 89 (2004) 1119-1129
An X-ray Rietveld study of piemontite on the join
Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis
Sample: q = 1.0, p = 1.00, Synthesis at P=350 MPa, T=500 C
_database_code_amcsd 0003590
8.8490 5.6670 10.153 90 115.499 90 P2_1/m
atom     x    y    z occ
Ca1   .756  3/4 .152
Ca2   .599  3/4 .424
AlM1     0    0    0 .80
MnM1     0    0    0 .20
AlM2     0    0  1/2
AlM3  .297  .25 .222 .20
MnM3  .297  .25 .222 .80
Si1   .335  3/4 .043
Si2   .685  .25 .274
Si3   .187  3/4 .318
O1    .233 .986 .030
O2    .308 .975 .353
O3    .795 .019 .338
O4    .064  .25 .136
O5    .043  3/4 .147
O6    .066  3/4 .407
O7    .514  3/4 .181
O8    .524  .25 .310
O9    .617  .25 .094
OH10  .080  .25 .424
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Piemontite
Download hom/piemontite.pdf
Nagashima M, Akasaka M
Download am/vol89/AM89_1119.pdf
American Mineralogist 89 (2004) 1119-1129
An X-ray Rietveld study of piemontite on the join
Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis
Sample: q = 1.1, p = 1.04, Synthesis at P=200 MPa, T=500 C
_database_code_amcsd 0003591
8.8596 5.6834 10.1679 90 115.503 90 P2_1/m
atom     x    y    z occ
Ca1   .757  3/4 .152
Ca2   .596  3/4 .423
AlM1     0    0    0 .84
MnM1     0    0    0 .16
AlM2     0    0  1/2 .95
MnM2     0    0  1/2 .05
AlM3  .300  .25 .221 .17
MnM3  .300  .25 .221 .83
Si1   .335  3/4 .043
Si2   .688  .25 .274
Si3   .187  3/4 .321
O1    .237 .984 .031
O2    .311 .981 .355
O3    .793 .017 .336
O4    .062  .25 .134
O5    .043  3/4 .148
O6    .070  3/4 .413
O7    .512  3/4 .180
O8    .524  .25 .310
O9    .614  .25 .093
OH10  .086  .25 .424
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Piemontite
Download hom/piemontite.pdf
Nagashima M, Akasaka M
Download am/vol89/AM89_1119.pdf
American Mineralogist 89 (2004) 1119-1129
An X-ray Rietveld study of piemontite on the join
Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis
Sample: q = 1.1, p = 1.03, Synthesis at P=350 MPa, T=500 C
_database_code_amcsd 0003592
8.860 5.6818 10.167 90 115.511 90 P2_1/m
atom     x    y    z occ
Ca1   .757  3/4 .152
Ca2   .598  3/4 .424
AlM1     0    0    0 .81
MnM1     0    0    0 .19
AlM2     0    0  1/2 .99
MnM2     0    0  1/2 .01
AlM3  .299  .25 .222 .17
MnM3  .299  .25 .222 .83
Si1   .334  3/4 .042
Si2   .686  .25 .274
Si3   .188  3/4 .320
O1    .238 .986 .031
O2    .310 .981 .358
O3    .792 .022 .335
O4    .063  .25 .131
O5    .046  3/4 .151
O6    .070  3/4 .411
O7    .511  3/4 .182
O8    .523  .25 .306
O9    .610  .25 .090
OH10  .086  .25 .420
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Piemontite
Download hom/piemontite.pdf
Nagashima M, Akasaka M
Download am/vol89/AM89_1119.pdf
American Mineralogist 89 (2004) 1119-1129
An X-ray Rietveld study of piemontite on the join
Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis
Sample: q = 1.5, p = 1.26, Synthesis at P=200 MPa, T=500 C
_database_code_amcsd 0003593
8.8589 5.7017 10.1802 90 115.540 90 P2_1/m
atom     x    y    z occ
Ca1   .756  3/4 .152
Ca2   .595  3/4 .421
AlM1     0    0    0 .73
MnM1     0    0    0 .27
AlM2     0    0  1/2 .95
MnM2     0    0  1/2 .05
AlM3  .304  .25 .222 .06
MnM3  .304  .25 .222 .94
Si1   .338  3/4 .040
Si2   .687  .25 .272
Si3   .186  3/4 .320
O1    .237 .982 .028
O2    .313 .978 .352
O3    .795 .019 .334
O4    .062  .25 .140
O5    .044  3/4 .151
O6    .077  3/4 .414
O7    .514  3/4 .185
O8    .530  .25 .312
O9    .606  .25 .091
OH10  .085  .25 .421
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Piemontite
Download hom/piemontite.pdf
Nagashima M, Akasaka M
Download am/vol89/AM89_1119.pdf
American Mineralogist 89 (2004) 1119-1129
An X-ray Rietveld study of piemontite on the join
Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis
Sample: q = 1.5, p = 1.25, Synthesis at P=350 MPa, T=500 C
_database_code_amcsd 0003594
8.8625 5.7006 10.1822 90 115.525 90 P2_1/m
atom     x    y    z occ
Ca1   .756  3/4 .151
Ca2   .594  3/4 .420
AlM1     0    0    0 .68
MnM1     0    0    0 .32
AlM2     0    0  1/2 .95
MnM2     0    0  1/2 .05
AlM3  .306  .25 .222 .11
MnM3  .306  .25 .222 .89
Si1   .333  3/4 .040
Si2   .690  .25 .271
Si3   .184  3/4 .321
O1    .238 .980 .029
O2    .312 .978 .350
O3    .796 .017 .333
O4    .067  .25 .142
O5    .039  3/4 .154
O6    .079  3/4 .420
O7    .515  3/4 .184
O8    .531  .25 .308
O9    .610  .25 .088
OH10  .088  .25 .418
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Piemontite
Download hom/piemontite.pdf
Nagashima M, Akasaka M
Download am/vol89/AM89_1119.pdf
American Mineralogist 89 (2004) 1119-1129
An X-ray Rietveld study of piemontite on the join
Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis
Sample: q = 1.75, p = 1.26, Synthesis at P=200 MPa, T=500 C
_database_code_amcsd 0003595
8.8591 5.7039 10.1827 90 115.548 90 P2_1/m
atom     x    y    z occ
Ca1   .756  3/4 .154
Ca2   .596  3/4 .423
AlM1     0    0    0 .69
MnM1     0    0    0 .31
AlM2     0    0  1/2 .98
MnM2     0    0  1/2 .02
AlM3  .301  .25 .224 .08
MnM3  .301  .25 .224 .92
Si1   .338  3/4 .041
Si2   .686  .25 .276
Si3   .186  3/4 .321
O1    .236 .979 .030
O2    .313 .973 .356
O3    .794 .019 .332
O4    .069  .25 .135
O5    .038  3/4 .147
O6    .079  3/4 .417
O7    .528  3/4 .188
O8    .533  .25 .309
O9    .612  .25 .095
OH10  .083  .25 .415
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Piemontite
Download hom/piemontite.pdf
Nagashima M, Akasaka M
Download am/vol89/AM89_1119.pdf
American Mineralogist 89 (2004) 1119-1129
An X-ray Rietveld study of piemontite on the join
Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis
Sample: q = 1.75, p = 1.25, Synthesis at P=350 MPa, T=500 C
_database_code_amcsd 0003596
8.8581 5.6949 10.1771 90 115.518 90 P2_1/m
atom     x    y    z occ
Ca1   .757  3/4 .154
Ca2   .594  3/4 .422
AlM1     0    0    0 .73
MnM1     0    0    0 .27
AlM2     0    0  1/2 .97
MnM2     0    0  1/2 .03
AlM3  .300  .25 .222 .05
MnM3  .300  .25 .222 .95
Si1   .335  3/4 .043
Si2   .686  .25 .271
Si3   .181  3/4 .322
O1    .241 .985 .030
O2    .311 .981 .353
O3    .802 .015 .337
O4    .068  .25 .133
O5    .039  3/4 .150
O6    .078  3/4 .424
O7    .521  3/4 .184
O8    .531  .25 .310
O9    .607  .25 .085
OH10  .085  .25 .421
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Macfallite
Download hom/macfallite.pdf
Nagashima M, Rahmoun N S, Alekseev E V, Geiger C A, Armbruster T, Akasaka M
Download am/vol93/AM93_1851.pdf
American Mineralogist 93 (2008) 1851-1857
Crystal chemistry of macfallite: Relationships to sursassite and pumpellyite
Locality: Manganese Lake, Copper Harbor, Keweenaw County, Michigan
_database_code_amcsd 0004767
8.959 6.072 10.218 90 110.75 90 P2_1/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   .1670   .25 .3134      .0095  .0076  .0116  .0084      0  .0018      0
Ca2   .2949   .25 .6813      .0096  .0119  .0105  .0081      0  .0057      0
MnMn1    .5     0    .5 .837 .0075  .0061  .0102  .0066  .0002  .0027 -.0002
AlMn1    .5     0    .5  .09 .0075  .0061  .0102  .0066  .0002  .0027 -.0002
MgMn1    .5     0    .5  .03 .0075  .0061  .0102  .0066  .0002  .0027 -.0002
CuMn1    .5     0    .5  .01 .0075  .0061  .0102  .0066  .0002  .0027 -.0002
VMn1     .5     0    .5 .003 .0075  .0061  .0102  .0066  .0002  .0027 -.0002
MnMn2    .5     0     0 .837 .0057  .0047  .0070  .0062  .0005  .0029  .0007
AlMn2    .5     0     0  .09 .0057  .0047  .0070  .0062  .0005  .0029  .0007
MgMn2    .5     0     0  .03 .0057  .0047  .0070  .0062  .0005  .0029  .0007
CuMn2    .5     0     0  .01 .0057  .0047  .0070  .0062  .0005  .0029  .0007
VMn2     .5     0     0 .003 .0057  .0047  .0070  .0062  .0005  .0029  .0007
MnMn3     0    .5     0 .837 .0071  .0048  .0087  .0078 -.0005  .0022 -.0007
AlMn3     0    .5     0  .09 .0071  .0048  .0087  .0078 -.0005  .0022 -.0007
MgMn3     0    .5     0  .03 .0071  .0048  .0087  .0078 -.0005  .0022 -.0007
CuMn3     0    .5     0  .01 .0071  .0048  .0087  .0078 -.0005  .0022 -.0007
VMn3      0    .5     0 .003 .0071  .0048  .0087  .0078 -.0005  .0022 -.0007
Si1   .3080   .75 .1891      .0087  .0056  .0113  .0098      0  .0035      0
Si2   .2074   .75 .8040      .0078  .0052  .0104  .0087      0  .0034      0
Si3   .1630   .75 .4982      .0071  .0081  .0074  .0069      0  .0040      0
O1    .2585 .5212 .4988      .0094  .0106   .009  .0106   .000  .0064  -.002
O2    .1937 .5340 .1622      .0106  .0087   .013  .0087   .001  .0010  -.001
O3    .3153 .5289 .8358      .0099  .0080   .012  .0080  .0020  .0011   .000
O4    .4213   .75 .0929      .0174   .006   .033   .013      0   .004      0
O5    .4444   .75 .3485      .0112   .007   .012   .014      0   .003      0
O6    .0866   .25 .9348      .0101   .011   .008   .014      0   .007      0
O7    .4395   .25 .3806      .0115   .006   .014   .015      0   .003      0
O8    .0726   .75 .8761      .0106   .007   .015   .013      0   .006      0
O9    .0999   .75 .6326      .0099   .008   .014   .009      0   .005      0
O10  -.0071   .75 .3610      .0120   .012   .021   .003      0   .004      0
O11   .3983   .25 .0631      .0168   .007   .025   .019      0   .006      0
H6    .2032   .25  .978        .05
H10   -.002   .75 .2666        .05
H11    .405   .25 .1609        .05
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pumpellyite-(Mg)
Download hom/pumpellyitemg.pdf
Hamada M, Akasaka M, Seto S, Makino K
Download am/vol95/AM95_1294.pdf
American Mineralogist 95 (2010) 1294-1304
Crystal chemistry of chromian pumpellyite from Osayama, Okayama Prefecture, Japan
Locality: Osayama ultramafic body, Okayama, Japan
Sample: ocp1211
_database_code_amcsd 0017597
19.1129 5.8963 8.818 90 97.449 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)
CaW1 .33945     .5 .25010     .0143  .0120  .0174  .0140      0  .0030      0
CaW2 .15449     .5 .19087     .0181  .0130  .0142  .0265      0  .0006      0
MgX     .25    .25     .5 .47 .0141  .0149  .0133  .0145  .0005  .0029 -.0002
MnX     .25    .25     .5 .01 .0141  .0149  .0133  .0145  .0005  .0029 -.0002
FeX     .25    .25     .5 .10 .0141  .0149  .0133  .0145  .0005  .0029 -.0002
CrX     .25    .25     .5 .04 .0141  .0149  .0133  .0145  .0005  .0029 -.0002
AlX     .25    .25     .5 .38 .0141  .0149  .0133  .0145  .0005  .0029 -.0002
AlY  .49561 .24602 .25485 .99 .0088  .0092  .0090  .0088 -.0000  .0032  .0007
TiY  .49561 .24602 .25485 .01 .0088  .0092  .0090  .0088 -.0000  .0032  .0007
SiZ1 .08985      0 .05072     .0113  .0104  .0125  .0113      0  .0020      0
SiZ2 .24752      0 .16555     .0119  .0120  .0119  .0118      0  .0010      0
SiZ3 .40308      0 .46562     .0109  .0096  .0128  .0103      0  .0012      0
O1   .07094  .2253  .1372     .0155  .0152  .0148  .0176 -.0028  .0066 -.0004
O2   .24570  .2317  .2659     .0146  .0151  .0113  .0167 -.0018 -.0008  .0008
O3   .41746  .2236  .3669     .0152  .0164  .0146  .0154  .0021  .0050  .0002
O4   .44478     .5  .1306     .0114  .0078  .0129  .0127      0 -.0010      0
Oh5   .4577      0  .1325     .0147  .0131   .015  .0155      0  .0000      0
O6   .04494     .5  .3702     .0127  .0119  .0124  .0144      0  .0037      0
Oh7   .0333      0  .3677     .0149  .0170   .015  .0129      0  .0027      0
O8    .1754      0  .0356     .0161  .0126   .022  .0132      0 -.0001      0
O9    .1761     .5  .4779     .0156  .0128   .022  .0122      0  .0023      0
O10   .3131      0  .0664     .0203  .0127   .030   .018      0  .0040      0
O11   .1852      0  .4971     .0166  .0150   .020  .0152      0  .0019      0
H7     .035      0  .4792       .05
H10    .362      0   .118       .05
H11   .1338      0   .471       .05
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pumpellyite-(Mg)
Download hom/pumpellyitemg.pdf
Hamada M, Akasaka M, Seto S, Makino K
Download am/vol95/AM95_1294.pdf
American Mineralogist 95 (2010) 1294-1304
Crystal chemistry of chromian pumpellyite from Osayama, Okayama Prefecture, Japan
Locality: Osayama ultramafic body, Okayama, Japan
Sample: ocp0604
_database_code_amcsd 0017598
19.0935 5.900 8.810 90 97.540 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)
CaW1 .33949     .5  .2504      .0124  .0099  .0154  .0121      0  .0023      0
CaW2  .1547     .5  .1902      .0157  .0104  .0100  .0257      0 -.0013      0
MgX     .25    .25     .5 .45  .0105  .0137  .0065  .0116  .0004  .0025 -.0001
MnX     .25    .25     .5 .01  .0105  .0137  .0065  .0116  .0004  .0025 -.0001
FeX     .25    .25     .5 .05  .0105  .0137  .0065  .0116  .0004  .0025 -.0001
CrX     .25    .25     .5 .11  .0105  .0137  .0065  .0116  .0004  .0025 -.0001
AlX     .25    .25     .5 .38  .0105  .0137  .0065  .0116  .0004  .0025 -.0001
CrY  .49569  .2461 .25461 .08  .0093  .0080  .0109  .0091  .0010  .0018  .0000
AlY  .49569  .2461 .25461 .92  .0093  .0080  .0109  .0091  .0010  .0018  .0000
SiZ1 .08983      0  .0501      .0099  .0078  .0133  .0080      0 -.0006      0
SiZ2 .24745      0  .1661      .0101  .0074  .0114  .0108      0 -.0015      0
SiZ3 .40294      0  .4660      .0091  .0079  .0124  .0071      0  .0009      0
O1    .0706  .2242  .1375      .0132   .015   .014   .011  .0021  .0022 -.0024
O2   .24608  .2297  .2662      .0138   .012   .013   .015  .0036 -.0019  -.001
O3    .4175  .2215  .3676      .0131   .013   .012   .014 -.0004  .0009  .0020
O4    .4449     .5  .1309      .0093   .004   .014   .009      0  -.004      0
Oh5   .4579      0  .1322      .0121   .005   .018   .012      0  -.002      0
O6    .0445     .5  .3691      .0091   .001   .015   .010      0  -.003      0
Oh7   .0331      0  .3679      .0125   .008   .019   .010      0  -.002      0
O8    .1758      0  .0365      .0109   .012   .009   .011      0   .001      0
O9    .1762     .5  .4788      .0148   .012   .026   .008      0   .003      0
O10   .3130      0  .0674      .0199   .010   .034   .015      0   .001      0
O11   .1856      0  .4988     .01435   .016   .014   .011      0   .004      0
H5    .4064      0    .13        .05
H7     .050      0  .4780        .05
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Pumpellyite-(Al)
 
Hamada M, Akasaka M, Seto S, Makino K
Download am/vol95/AM95_1294.pdf
American Mineralogist 95 (2010) 1294-1304
Crystal chemistry of chromian pumpellyite from Osayama, Okayama Prefecture, Japan
Locality: Osayama ultramafic body, Okayama, Japan
Sample: ocp1028
_database_code_amcsd 0017599
19.105 5.9021 8.8143 90 97.513 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)
CaW1 .33946     .5 .25015     .0140  .0095  .0184  .0144      0  .0026      0
CaW2 .15447     .5 .19028     .0173  .0116  .0134  .0265      0  .0004      0
MgX     .25    .25     .5 .40 .0138  .0122  .0146  .0150  .0003  .0034 -.0003
MnX     .25    .25     .5 .01 .0138  .0122  .0146  .0150  .0003  .0034 -.0003
FeX     .25    .25     .5 .03 .0138  .0122  .0146  .0150  .0003  .0034 -.0003
CrX     .25    .25     .5 .15 .0138  .0122  .0146  .0150  .0003  .0034 -.0003
AlX     .25    .25     .5 .41 .0138  .0122  .0146  .0150  .0003  .0034 -.0003
CrY  .49567 .24622  .2549 .08 .0103  .0094  .0113  .0104  .0004  .0016 -.0002
AlY  .49567 .24622  .2549 .92 .0103  .0094  .0113  .0104  .0004  .0016 -.0002
SiZ1 .08974      0 .05028     .0101  .0098  .0107  .0096      0  .0008      0
SiZ2 .24766      0 .16570     .0110  .0098  .0110  .0120      0  .0009      0
SiZ3 .40311      0 .46569     .0106  .0106  .0105  .0106      0  .0013      0
O1   .07104  .2242  .1369     .0138  .0087  .0189  .0146 -.0030  .0039 -.0004
O2   .24594  .2299  .2658     .0158  .0112  .0167  .0188 -.0014 -.0014  .0008
O3   .41682  .2223  .3672     .0148  .0117  .0188  .0139  .0025  .0024  .0003
O4    .4450     .5  .1305     .0132  .0096   .020  .0086      0 -.0023      0
Oh5   .4581      0  .1319     .0144   .014   .019  .0098      0 -.0012      0
O6    .0445     .5  .3699     .0119  .0074   .018  .0101      0 -.0003      0
Oh7   .0327      0  .3679     .0159   .014   .020  .0131      0  .0009      0
O8    .1755      0  .0366     .0147   .014   .018  .0118      0 -.0001      0
O9    .1760     .5  .4779     .0159   .012   .022  .0140      0  .0016      0
O10   .3132      0  .0654     .0203   .012   .031   .018      0  .0017      0
O11   .1854      0  .4975     .0127  .0074   .018  .0140      0  .0055      0
H7      .44      0  .4797       .05
H11   .1375      0   .442       .05
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Pumpellyite-(Mg)
Download hom/pumpellyitemg.pdf
Hamada M, Akasaka M, Seto S, Makino K
Download am/vol95/AM95_1294.pdf
American Mineralogist 95 (2010) 1294-1304
Crystal chemistry of chromian pumpellyite from Osayama, Okayama Prefecture, Japan
Locality: Osayama ultramafic body, Okayama, Japan
Sample: ocp1013
_database_code_amcsd 0017600
19.1558 5.9125 8.844 90 97.448 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)
CaW1 .33942     .5 .25044     .0250  .0100  .0291  .0381      0  .0111      0
CaW2 .15450     .5 .19028     .0286  .0120  .0260  .0489      0  .0084      0
MgX     .25    .25     .5 .45 .0242  .0125  .0245  .0378 -.0009  .0119 -.0011
MnX     .25    .25     .5 .02 .0242  .0125  .0245  .0378 -.0009  .0119 -.0011
FeX     .25    .25     .5 .08 .0242  .0125  .0245  .0378 -.0009  .0119 -.0011
CrX     .25    .25     .5 .12 .0242  .0125  .0245  .0378 -.0009  .0119 -.0011
AlX     .25    .25     .5 .33 .0242  .0125  .0245  .0378 -.0009  .0119 -.0011
AlY  .49572 .24633 .25492 .83 .0198  .0077  .0203  .0332  .0010  .0098  .0007
CrY  .49572 .24633 .25492 .17 .0198  .0077  .0203  .0332  .0010  .0098  .0007
SiZ1 .08990      0  .0502     .0222  .0072  .0252  .0358      0  .0087      0
SiZ2 .24740      0  .1655     .0230  .0105  .0246  .0351      0  .0082      0
SiZ3 .40304      0  .4660     .0219  .0081  .0249  .0346      0  .0096      0
O1   .07125  .2247  .1368     .0250  .0127  .0266  .0380 -.0014  .0122 -.0019
O2   .24590  .2316  .2657     .0268  .0133  .0278  .0410 -.0023  .0096 -.0007
O3   .41705  .2230  .3672     .0243  .0143  .0268  .0345  .0033  .0134  .0017
O4    .4452     .5  .1319     .0211  .0089   .025   .030      0  .0060      0
Oh5   .4570      0  .1318     .0256   .013   .026   .039      0  .0066      0
O6    .0443     .5  .3689     .0239   .013   .024   .037      0  .0092      0
Oh7   .0338      0  .3703     .0258   .014   .028   .035      0  .0031      0
O8    .1758      0  .0364     .0255  .0080   .036   .033      0  .0057      0
O9    .1761     .5  .4793     .0287   .008   .038   .042      0  .0096      0
O10   .3138      0  .0680     .0300   .012   .043   .037      0  .0091      0
O11   .1854      0  .4988     .0298   .011   .037   .044      0  .0123      0
Download AMC data (View Text File)
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Pumpellyite-(Mg)
Download hom/pumpellyitemg.pdf
Hamada M, Akasaka M, Seto S, Makino K
Download am/vol95/AM95_1294.pdf
American Mineralogist 95 (2010) 1294-1304
Crystal chemistry of chromian pumpellyite from Osayama, Okayama Prefecture, Japan
Locality: Osayama ultramafic body, Okayama, Japan
Sample: ocp1016
_database_code_amcsd 0017601
19.174 5.9194 8.830 90 97.497 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)
CaW1 .33953     .5 .25077     .0195  .0185  .0200  .0212      0  .0065      0
CaW2 .15443     .5 .19033     .0230  .0204  .0169  .0314      0  .0025      0
MgX     .25    .25     .5 .48 .0197  .0204  .0167  .0228  .0007  .0067 -.0003
MnX     .25    .25     .5 .02 .0197  .0204  .0167  .0228  .0007  .0067 -.0003
FeX     .25    .25     .5 .09 .0197  .0204  .0167  .0228  .0007  .0067 -.0003
CrX     .25    .25     .5 .10 .0197  .0204  .0167  .0228  .0007  .0067 -.0003
AlX     .25    .25     .5 .31 .0197  .0204  .0167  .0228  .0007  .0067 -.0003
AlY  .49569 .24607 .25472 .84 .0157  .0163  .0133  .0181      0  .0050  .0003
CrY  .49569 .24607 .25472 .16 .0157  .0163  .0133  .0181      0  .0050  .0003
SiZ1 .09000      0  .0505     .0167  .0163  .0164  .0177      0  .0039      0
SiZ2 .24745      0  .1659     .0180  .0196  .0163  .0183      0  .0036      0
SiZ3 .40310      0  .4657     .0167  .0164  .0166  .0181      0  .0068      0
O1   .07116  .2253  .1366     .0210  .0184  .0201  .0253  .0009  .0063  .0008
O2    .2459  .2315  .2654     .0232  .0240  .0174  .0286 -.0015  .0050  .0031
O3   .41680  .2227  .3666     .0197  .0205  .0194  .0199  .0012  .0056  .0015
O4    .4452     .5  .1313     .0173   .017   .015   .021      0  .0051      0
Oh5   .4573      0  .1321     .0179   .019   .018   .018      0  .0060      0
O6    .0451     .5  .3692     .0193   .019   .017   .023      0  .0060      0
Oh7   .0337      0  .3694     .0219   .028   .018   .021      0  .0041      0
O8    .1759      0  .0362     .0205   .020   .026   .017      0  .0059      0
O9    .1752     .5  .4773     .0243   .018   .031   .024      0  .0060      0
O10   .3134      0  .0674     .0261   .023   .038   .018      0  .0069      0
O11   .1851      0  .4990     .0209   .019   .026   .020      0  .0098      0
H10    .320      0  .1794       .05
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Clinozoisite
Download hom/clinozoisite.pdf
Nagashima M, Geiger C A, Akasaka M
Download am/vol94/AM94_1351.pdf
American Mineralogist 94 (2009) 1351-1360
A crystal-chemical investigation of clinozoisite synthesized
along the join Ca2Al3Si3O12(OH)-Ca2Al2CrSi3O12(OH)
Locality: synthetic
Note: T = 700 C, P = 1.2 GPa
_database_code_amcsd 0004979
8.8889 5.6058 10.1513 90 115.284 90 P2_1/m
atom     x    y     z occ Biso
Ca1  .7615  .75 .1558      .76
Ca2  .6045  .75 .4237      .92
AlM1     0    0     0 .75  .51
CrM1     0    0     0 .25  .51
AlM2     0    0    .5      .43
AlM3 .2909  .25 .2192 .63  .42
CrM3 .2909  .25 .2192 .37  .42
Si1  .3346  .75 .0440      .41
Si2  .6811  .25 .2744      .48
Si3  .1847  .75 .3225      .42
O1   .2358 .992 .0432      .70
O2    .305 .981  .349      .63
O3    .790 .015 .3466      .79
O4    .054  .25  .136       .6
O5    .043  .75  .153       .6
O6    .066  .75  .405       .5
O7    .518  .75  .177       .6
O8    .514  .25  .300       .9
O9    .639  .25  .106      1.0
O10   .076  .25  .418       .7
Download AMC data (View Text File)
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Clinozoisite
Download hom/clinozoisite.pdf
Nagashima M, Geiger C A, Akasaka M
Download am/vol94/AM94_1351.pdf
American Mineralogist 94 (2009) 1351-1360
A crystal-chemical investigation of clinozoisite synthesized
along the join Ca2Al3Si3O12(OH)-Ca2Al2CrSi3O12(OH)
Note: T = 700 C, P = 1.2 GPa
Locality: synthetic
_database_code_amcsd 0004980
8.8859 5.6006 10.1500 90 115.322 90 P2_1/m
atom     x    y     z occ Biso
Ca1  .7612  .75 .1561      .76
Ca2  .6090  .75 .4248      .92
AlM1     0    0     0 .78  .51
CrM1     0    0     0 .22  .51
AlM2     0    0    .5      .43
AlM3 .2889  .25 .2225 .72  .42
CrM3 .2889  .25 .2225 .28  .42
Si1  .3392  .75 .0463      .41
Si2  .6779  .25 .2753      .48
Si3  .1816  .75 .3191      .42
O1   .2390 .998 .0459      .70
O2   .3050 .980 .3514      .63
O3   .7867 .010 .3425      .79
O4   .0569  .25  .138       .6
O5    .041  .75  .142       .6
O6    .066  .75  .403       .5
O7    .520  .75  .181       .6
O8    .515  .25  .299       .9
O9    .636  .25  .107      1.0
O10   .073  .25  .417       .7
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View JMOL 3-D Structure (permalink)
 
Clinozoisite
Download hom/clinozoisite.pdf
Nagashima M, Geiger C A, Akasaka M
Download am/vol94/AM94_1351.pdf
American Mineralogist 94 (2009) 1351-1360
A crystal-chemical investigation of clinozoisite synthesized
along the join Ca2Al3Si3O12(OH)-Ca2Al2CrSi3O12(OH)
Locality: synthetic
Note: T = 600 C, P = 1.2 GPa
_database_code_amcsd 0004981
8.8814 5.6022 10.1480 90 115.320 90 P2_1/m
atom     x    y     z occ Biso
Ca1  .7602  .75 .1533      .76
Ca2  .6072  .75 .4254      .92
AlM1     0    0     0 .79  .51
CrM1     0    0     0 .21  .51
AlM2     0    0    .5      .43
AlM3 .2902  .25 .2224 .72  .42
CrM3 .2902  .25 .2224 .28  .42
Si1  .3374  .75 .0486      .41
Si2  .6801  .25 .2747      .48
Si3  .1833  .75 .3187      .42
O1   .2336 .995 .0432      .70
O2   .3042 .985 .3535      .63
O3   .7846 .012 .3435      .79
O4    .052  .25  .137       .6
O5   .0423  .75  .145       .6
O6    .062  .75  .401       .5
O7    .520  .75 .1775       .6
O8    .517  .25  .301       .9
O9    .639  .25  .107      1.0
O10   .073  .25 .4187       .7
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Clinozoisite
Download hom/clinozoisite.pdf
Nagashima M, Geiger C A, Akasaka M
Download am/vol94/AM94_1351.pdf
American Mineralogist 94 (2009) 1351-1360
A crystal-chemical investigation of clinozoisite synthesized
along the join Ca2Al3Si3O12(OH)-Ca2Al2CrSi3O12(OH)
Locality: synthetic
Note: T = 700 C, P = 1.2 GPa
_database_code_amcsd 0004982
8.8806 5.5973 10.1465 90 115.312 90 P2_1/m
atom     x    y     z occ Biso
Ca1  .7631  .75 .1550      .76
Ca2  .6101  .75 .4260      .92
AlM1     0    0     0 .88  .51
CrM1     0    0     0 .12  .51
AlM2     0    0    .5      .43
AlM3 .2908  .25 .2208 .84  .42
CrM3 .2908  .25 .2208 .16  .42
Si1  .3359  .75 .0478      .41
Si2  .6799  .25 .2729      .48
Si3  .1801  .75 .3164      .42
O1   .2350 .999 .0421      .70
O2   .2989 .986 .3485      .63
O3   .7915 .019 .3449      .79
O4    .051  .25  .134       .6
O5    .040  .75  .141       .6
O6    .064  .75  .406       .5
O7    .521  .75  .179       .6
O8    .512  .25  .297       .9
O9    .641  .25  .109      1.0
O10   .076  .25  .420       .7
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Sursassite
Download hom/sursassite.pdf
Nagashima M, Akasaka M, Minakawa T, Libowitzky E, Armbruster T
Download am/vol94/AM94_1440.pdf
American Mineralogist 94 (2009) 1440-1449
Sursassite: hydrogen bonding, cation order, and pumpellyite intergrowth
Locality: Falotta, Switzerland
Sample Number: 1
_database_code_amcsd 0004986
8.7201 5.8053 9.8075 90 109.011 90 P2_1/m
atom      x     y      z occ
Mn1  .16884   .25 .31355
Mn2  .27223   .25 .67531
Al1      .5     0     .5
Al2      .5     0      0
Al3       0    .5      0
Si1  .30787   .75 .19109
Si2  .20691   .75 .80740
Si3  .15557   .75 .49480
O1    .2608 .5139  .5013
O2    .1916 .5248  .1631
O3    .3146 .5180  .8332
O4    .4148   .75  .0810
O5    .4491   .75  .3517
O6    .0844   .25  .9289
O7    .4379   .25  .3690
O8    .0718   .75  .8926
O9    .0902   .75  .6360
O10  -.0103   .75  .3573
O11   .4114   .25  .0713
H6A     .05   .25  .8235  .5
H6B    .203   .25   .952  .5
H7     .454   .25   .275
H11A   .294   .25   .052  .5
H11B    .40  .254   .168 .25
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Sursassite
Download hom/sursassite.pdf
Nagashima M, Akasaka M, Minakawa T, Libowitzky E, Armbruster T
Download am/vol94/AM94_1440.pdf
American Mineralogist 94 (2009) 1440-1449
Sursassite: hydrogen bonding, cation order, and pumpellyite intergrowth
Locality: New Brunswick, Canada
Sample Number: 2
_database_code_amcsd 0004987
8.709 5.7939 9.779 90 108.953 90 P2_1/m
atom      x     y      z
Mn1   .1700   .25  .3131
Mn2   .2717   .25  .6748
Al1      .5     0     .5
Al2      .5     0      0
Al3       0    .5      0
Si1   .3072   .75  .1917
Si2   .2065   .75  .8067
Si3   .1545   .75  .4941
O1    .2601 .5132  .5005
O2    .1907 .5246  .1630
O3    .3142 .5177  .8332
O4    .4141   .75  .0807
O5    .4487   .75  .3515
O6    .0848   .25  .9294
O7    .4373   .25  .3690
O8    .0714   .75  .8935
O9    .0893   .75  .6366
O10  -.0112   .75  .3565
O11   .4121   .25  .0728
H6A     .06   .25   .824
H7      .44   .25   .269
H11A  .2932   .25   .034
Download AMC data (View Text File)
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Sursassite
Download hom/sursassite.pdf
Nagashima M, Akasaka M, Minakawa T, Libowitzky E, Armbruster T
Download am/vol94/AM94_1440.pdf
American Mineralogist 94 (2009) 1440-1449
Sursassite: hydrogen bonding, cation order, and pumpellyite intergrowth
Locality: Kamisugai, Japan
Sample Number: 3
_database_code_amcsd 0004988
8.7278 5.8065 9.8121 90 109.060 90 P2_1/m
atom      x     y      z
Mn1   .1706   .25 .31322
Mn2   .2763   .25 .67528
Al1      .5     0     .5
Al2      .5     0      0
Al3       0    .5      0
Si1   .3071   .75  .1906
Si2   .2071   .75  .8072
Si3   .1532   .75  .4952
O1    .2566 .5130  .5004
O2    .1908 .5258  .1628
O3    .3151 .5191  .8328
O4    .4142   .75  .0800
O5    .4492   .75  .3492
OH6   .0841   .25  .9283
OH7   .4373   .25  .3682
O8    .0726   .75  .8938
O9    .0886   .75  .6369
O10  -.0131   .75  .3569
OH11  .4106   .25  .0696
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Sursassite
Download hom/sursassite.pdf
Nagashima M, Akasaka M, Minakawa T, Libowitzky E, Armbruster T
Download am/vol94/AM94_1440.pdf
American Mineralogist 94 (2009) 1440-1449
Sursassite: hydrogen bonding, cation order, and pumpellyite intergrowth
Locality: Kamogawa, Japan
Sample Number: 4
_database_code_amcsd 0004989
8.7065 5.7978 9.7946 90 108.938 90 P2_1/m
atom      x     y      z occ
Mn1  .16902   .25 .31367
Mn2  .27275   .25 .67567
Al1      .5     0     .5
Al2      .5     0      0
Al3       0    .5      0
Si1   .3071   .75  .1913
Si2   .2067   .75  .8080
Si3   .1554   .75  .4950
O1    .2607 .5138  .5017
O2    .1907 .5248  .1628
O3    .3145 .5180  .8339
O4    .4152   .75  .0820
O5    .4484   .75  .3521
O6    .0843   .25  .9291
O7    .4381   .25  .3684
O8    .0720   .75  .8943
O9    .0899   .75  .6370
O10  -.0107   .75  .3575
O11   .4119   .25  .0717
H6A     .06   .25   .824  .5
H6B    .199   .25    .94  .5
H7      .44   .25   .268
H11A   .297   .25    .06  .5
H11B    .43   .25   .176  .5
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Sursassite
Download hom/sursassite.pdf
Nagashima M, Akasaka M, Minakawa T, Libowitzky E, Armbruster T
Download am/vol94/AM94_1440.pdf
American Mineralogist 94 (2009) 1440-1449
Sursassite: hydrogen bonding, cation order, and pumpellyite intergrowth
Locality: Molinello, Italy
Sample Number: 5
_database_code_amcsd 0004990
8.6982 5.7887 9.7777 90 108.918 90 P2_1/m
atom      x     y      z occ
Mn1  .16738   .25 .31398
Mn2  .26707   .25 .67527
Al1      .5     0     .5
Al2      .5     0      0
Al3       0    .5      0
Si1   .3078   .75  .1925
Si2   .2069   .75  .8078
Si3   .1573   .75  .4944
O1    .2654 .5140  .5027
O2    .1916 .5238  .1637
O3    .3143 .5174  .8342
O4    .4154   .75  .0823
O5    .4482   .75  .3542
O6    .0848   .25  .9295
O7    .4390   .25  .3692
O8    .0717   .75  .8940
O9    .0912   .75  .6363
O10  -.0074   .75  .3574
O11   .4129   .25  .0738
H6A     .05   .25   .824  .5
H6B    .201   .25    .94  .5
H7     .325   .25    .31
H11A   .295   .25    .05  .5
H11B    .40   .25   .168  .5
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Sursassite
Download hom/sursassite.pdf
Nagashima M, Akasaka M, Minakawa T, Libowitzky E, Armbruster T
Download am/vol94/AM94_1440.pdf
American Mineralogist 94 (2009) 1440-1449
Sursassite: hydrogen bonding, cation order, and pumpellyite intergrowth
Locality: Molinello, Italy
Sample Number: 6
_database_code_amcsd 0004991
8.716 5.799 9.794 90 108.985 90 P2_1/m
atom      x     y      z
Mn1   .1699   .25  .3132
Mn2   .2716   .25  .6753
Al1      .5     0     .5
Al2      .5     0      0
Al3       0    .5      0
Si1   .3072   .75  .1919
Si2   .2064   .75  .8076
Si3   .1545   .75  .4945
O1    .2617  .514  .5015
O2    .1912  .525  .1639
O3    .3134  .521  .8328
O4     .414   .75  .0805
O5     .448   .75   .351
OH6    .085   .25  .9288
OH7    .438   .25  .3695
O8    .0732   .75  .8939
O9    .0901   .75  .6376
O10   -.008   .75  .3568
OH11   .413   .25  .0723
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Sursassite
Download hom/sursassite.pdf
Nagashima M, Akasaka M, Minakawa T, Libowitzky E, Armbruster T
Download am/vol94/AM94_1440.pdf
American Mineralogist 94 (2009) 1440-1449
Sursassite: hydrogen bonding, cation order, and pumpellyite intergrowth
Locality: Gambatesa, Italy
Sample Number: 7
_database_code_amcsd 0004992
8.715 5.7981 9.798 90 108.879 90 P2_1/m
atom      x     y      z
Mn1   .1677   .25  .3142
Mn2   .2693   .25  .6760
Al1      .5     0     .5
Al2      .5     0      0
Al3       0    .5      0
Si1   .3074   .75  .1923
Si2   .2066   .75  .8077
Si3   .1566   .75  .4947
O1    .2638 .5135  .5027
O2    .1912 .5245  .1631
O3    .3146 .5184  .8353
O4    .4161   .75  .0829
O5    .4459   .75  .3532
OH6   .0845   .25  .9291
O7    .4391   .25  .3679
O8    .0719   .75  .8934
O9    .0921   .75  .6375
O10  -.0078   .75  .3571
O11   .4130   .25  .0731
H7      .45   .25    .27
H11B    .48   .25   .176
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Piemontite
Download hom/piemontite.pdf
Nagashima M, Armbruster T, Akasaka M, Minakawa T
 
Journal of Mineralogical and Petrological Sciences 105 (2010) 142-150
Crystal chemistry of Mn2+-, Sr-rich and REE-bearing piemontite from the
Kamisugai mine in the Sambagawa metamorphic belt, Shikoku, Japan
Locality: Kamisugai mine, Sambagawa metamorphic belt, Shikoku, Japan
_database_code_amcsd 0018299
8.8673 5.6747 10.1594 90 114.719 90 P2_1/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)
CaAl .7574   .75  .1527 .59 .0157  .0212  .0128  .0171      0  .0119      0
MnAl .7574   .75  .1527 .41 .0157  .0212  .0128  .0171      0  .0119      0
CaA2 .5950   .75 .42469 .71 .0087  .0069  .0124  .0056      0  .0015      0
SrA2 .5950   .75 .42469 .19 .0087  .0069  .0124  .0056      0  .0015      0
LaA2 .5950   .75 .42469 .03 .0087  .0069  .0124  .0056      0  .0015      0
CeA2 .5950   .75 .42469 .05 .0087  .0069  .0124  .0056      0  .0015      0
NdA2 .5950   .75 .42469 .02 .0087  .0069  .0124  .0056      0  .0015      0
AlMl     0     0      0 .72 .0085  .0090  .0056  .0103 -.0005  .0033  .0004
MnMl     0     0      0 .17 .0085  .0090  .0056  .0103 -.0005  .0033  .0004
FeMl     0     0      0 .77 .0085  .0090  .0056  .0103 -.0005  .0033  .0004
AlM2     0     0     .5     .0088  .0086  .0062  .0119 -.0002  .0045 -.0007
AlM3 .2999   .25  .2193 .11 .0096  .0087  .0082  .0096      0  .0015      0
MnM3 .2999   .25  .2193 .55 .0096  .0087  .0082  .0096      0  .0015      0
FeM3 .2999   .25  .2193 .34 .0096  .0087  .0082  .0096      0  .0015      0
Sil  .3433   .75  .0428     .0102  .0100  .0089  .0114      0  .0043      0
Si2  .6890   .25  .2757     .0103  .0106  .0084  .0125      0  .0056      0
Si3  .1854   .75  .3193     .0097  .0100  .0097  .0107      0  .0057      0
O1   .2368 .9927  .0347     .0165   .018   .009   .026   .002   .012   .001
O2   .3066 .9782  .3545     .0148   .014   .016   .015  -.003   .007  -.001
O3   .8009 .0143  .3340     .0165   .013   .008   .022   .001   .001   .000
O4   .0563   .25  .1305     .0127   .015   .011   .013      0   .007      0
O5   .0411   .75  .1492     .0136   .012   .013   .015      0   .005      0
O6   .0742   .75  .4140     .0125   .015   .009   .018      0   .012      0
O7   .5170   .75  .1785      .019   .016   .017   .016      0   .001      0
O8   .5340   .25  .3201      .020   .017   .025   .026      0   .016      0
O9   .6163   .25  .0999      .024   .028   .033   .014      0   .011      0
O10  .0885   .25  .4329 .87 .0117   .013   .010   .016      0   .010      0
H10    .03   .25   .327 .87   .05
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Pumpellyite-(Mg)
Download hom/pumpellyitemg.pdf
Nagashima M, Akasaka M, Ikeda K, Kyono A, Makino K
 
Journal of Mineralogical and Petrological Sciences 105 (2010) 187-193
X-ray single-crystal and optical spectroscopic study of chromian pumpellyite
from Sarany, Urals, Russia
Locality: Sarany, Ural Mountains, Russia
_database_code_amcsd 0018298
8.807 5.943 19.18 90 97.44 90 A2/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)
CaW1 .25077     .5 .33966      .00655  .0069  .0084  .0045       0 .00147      0
CaW2 .18917     .5 .15457      .00911  .0163  .0056  .0049       0 -.0007      0
MgX      .5    .25    .25 .490  .0043  .0049  .0039  .0043       0  .0012      0
CrX      .5    .25    .25 .308  .0043  .0049  .0039  .0043       0  .0012      0
AlX      .5    .25    .25 .202  .0043  .0049  .0039  .0043       0  .0012      0
AlY  .25431 .24666 .49562 .742 .00370  .0041  .0040  .0030 -.00010 .00091 .00007
CrY  .25431 .24666 .49562 .258 .00370  .0041  .0040  .0030 -.00010 .00091 .00007
SiZ1 .05059      0 .09043      .00461  .0047  .0049  .0041       0  .0003      0
SiZ2 .16573      0 .24804      .00511  .0058  .0051  .0042       0  .0000      0
SiZ3 .46542      0 .40274      .00479  .0048  .0061  .0035       0  .0008      0
O1   .13765  .2251 .07205       .0066  .0077  .0066  .0054  -.0004  .0008 -.0005
O2   .26625  .2308 .24618       .0071  .0094  .0064  .0052  -.0002 -.0001  .0001
O3   .36692  .2231 .41643       .0071  .0088  .0065  .0063   .0008  .0018  .0007
O4    .1309     .5 .44493       .0052  .0058  .0054  .0044       0  .0004      0
Oh5   .1309     .5 .45754       .0075  .0066  .0095  .0060       0 -.0005      0
O6    .3697     .5 .04490       .0061  .0057  .0075  .0049       0  .0004      0
Oh7   .3700      0 .03388       .0085  .0059  .0087  .0105       0  .0005      0
O8    .0353      0 .17616       .0064  .0062  .0101  .0026       0 -.0003      0
O9    .4769     .5 .17662       .0083  .0073  .0144  .0033       0  .0007      0
Oh10  .0666      0 .31382       .0095  .0078  .0169  .0038       0  .0009      0
Oh11  .5024     .5 .31525       .0081  .0074  .0115  .0056       0  .0017      0
H5    .0200      0   .459         .05
H7    .4818      0   .045         .05
H10    .121      0  .3619         .05
H11    .578     .5  .3579         .05
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Babingtonite
Download hom/babingtonite.pdf
Nagashima M, Mitani K, Akasaka M
 
Mineralogy and Petrology 108 (2014) 287-301
Structural variation of babingtonite depending on cation
distribution at the octahedral sites
Note: Sample 1
Locality: Yakuri mine, Japan
_database_code_amcsd 0020452
7.4753 11.6397 6.6897 91.594 93.934 104.312 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)
Ca1  .78231  .94194 .14194     .01032 .01395 .00797 .00844 .00160  .00130 -.00078
Ca2  .23759  .52011 .30410     .00899 .00695 .00939 .00984 .00104  .00011 -.00273
Fe1  .59365 .644234 .06141 .61 .00691 .00648 .00693 .00719 .00145  .00067 -.00003
Mn1  .59365 .644234 .06141 .32 .00691 .00648 .00693 .00719 .00145  .00067 -.00003
Mg1  .59365 .644234 .06141 .07 .00691 .00648 .00693 .00719 .00145  .00067 -.00003
Fe2  .04631 .235246 .18470 .99 .00584 .00562 .00533 .00643 .00125  .00006 -.00008
Al2  .04631 .235246 .18470 .01 .00584 .00562 .00533 .00643 .00125  .00006 -.00008
Si1  .28755  .05353 .34139     .00674 .00772 .00570 .00632 .00110 -.00052 -.00019
Si2  .46043  .31361 .42475     .00585 .00561 .00562 .00587 .00073 -.00013 -.00004
Si3  .80633  .44500 .20944     .00560 .00488 .00578 .00598 .00112  .00018  .00006
Si4  .98794  .71353 .31008     .00585 .00607 .00556 .00568 .00116  .00000 -.00012
Si5  .32706  .83612 .10656     .00650 .00578 .00623 .00757 .00165  .00064  .00008
O1   .19781  .98801 .53511     .01238  .0162  .0098  .0084 -.0020   .0014   .0013
O2   .12975  .08043 .18433     .00897  .0094  .0098  .0080  .0035  -.0008  -.0004
O3   .43353  .17146 .43653     .01002  .0110  .0056  .0120  .0005  -.0028   .0001
O4   .31625  .33810 .24619     .00782  .0071  .0083  .0078  .0017  -.0010   .0005
O5   .54990  .62007 .36568     .00934  .0089  .0104  .0080  .0011   .0010  -.0019
O6   .67740  .37088 .37287     .00831  .0065  .0093  .0084  .0004   .0011   .0016
O7   .96941  .38427 .15836     .00888  .0078  .0079  .0113  .0027   .0011  -.0009
O8   .67882  .47433 .02560     .00846  .0074  .0101  .0076  .0021  -.0009   .0011
O9   .92593  .56888 .33803     .00832  .0091  .0049  .0102  .0008  -.0012  -.0005
O10  .87261  .75544 .12476     .00820  .0079  .0092  .0076  .0026  -.0002   .0014
O11  .02121  .22104 .47851     .00970  .0123  .0083  .0077  .0008   .0021  -.0010
O12  .20462  .73672 .25029     .00880  .0068  .0096  .0100  .0016   .0016   .0028
O13  .51031  .79981 .05584     .01043  .0081  .0106  .0138  .0041   .0027   .0008
O14  .80598  .14217 .08201     .00933  .0083  .0091  .0093  .0004  -.0021   .0017
O15  .39358  .96760 .22633     .01072  .0100  .0075  .0140  .0018  -.0005  -.0038
H1     .128   .9050   .539       .050
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Babingtonite
Download hom/babingtonite.pdf
Nagashima M, Mitani K, Akasaka M
 
Mineralogy and Petrology 108 (2014) 287-301
Structural variation of babingtonite depending on cation
distribution at the octahedral sites
Note: Sample 2
Locality: Gronsjoberget, Sweden
_database_code_amcsd 0020453
7.4771 11.6376 6.6841 91.591 93.861 104.337 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)
Ca1  .78139  .94173 .14252     .01223 .01773 .01077 .00799 .00328  .00093 -.00043
Ca2  .23739  .52013 .30423     .01055 .00987 .01203 .00933 .00253 -.00028 -.00220
Fe1  .59324  .64394 .06123 .51 .00887 .00979 .00996 .00713 .00304  .00027  .00043
Mn1  .59324  .64394 .06123 .28 .00887 .00979 .00996 .00713 .00304  .00027  .00043
Mg1  .59324  .64394 .06123 .21 .00887 .00979 .00996 .00713 .00304  .00027  .00043
Fe2  .04685 .235270 .18471 .98 .00759 .00864 .00812 .00617 .00268 -.00042  .00031
Al2  .04685 .235270 .18471 .02 .00759 .00864 .00812 .00617 .00268 -.00042  .00031
Si1  .28766  .05327 .34087     .00836 .01079 .00851 .00581 .00285 -.00080  .00027
Si2  .46016  .31342 .42508     .00745 .00846 .00844 .00546 .00235 -.00042  .00036
Si3  .80601  .44471 .20939     .00719 .00794 .00837 .00549 .00265 -.00026  .00065
Si4  .98727  .71332 .30980     .00744 .00916 .00824 .00518 .00286 -.00020  .00031
Si5  .32670  .83590 .10591     .00810 .00900 .00896 .00687 .00334  .00031  .00058
O1   .19786  .98722 .53380     .01388  .0194  .0124  .0079  .0000   .0016   .0017
O2   .12966  .08027 .18394     .01011  .0120  .0124  .0070  .0055  -.0009   .0001
O3   .43293  .17126 .43713     .01179  .0146  .0079  .0117  .0017  -.0031   .0005
O4   .31721  .33842 .24608     .00958  .0098  .0110  .0079  .0030  -.0020   .0012
O5   .55003  .62033 .36489     .01098  .0125  .0130  .0073  .0029   .0013  -.0018
O6   .67778  .37053 .37300     .01003  .0100  .0120  .0081  .0024   .0009   .0021
O7   .96948  .38428 .15818     .01014  .0103  .0108  .0105  .0048   .0011  -.0002
O8   .67791  .47388 .02575     .00995  .0098  .0130  .0072  .0037  -.0013   .0013
O9   .92559  .56860 .33753     .00995  .0123  .0080  .0091  .0023  -.0014  -.0001
O10  .87110  .75465 .12479     .01001  .0109  .0127  .0073  .0048  -.0007   .0020
O11  .02160  .22109 .47889     .01121  .0165  .0105  .0063  .0026   .0019  -.0012
O12  .20398  .73699 .25034     .01025  .0095  .0125  .0093  .0035   .0009   .0030
O13  .50982  .79904 .05441     .01186  .0112  .0131  .0128  .0055   .0022   .0012
O14  .80643  .14202 .08211     .01120  .0119  .0115  .0092  .0018  -.0026   .0025
O15  .39398  .96755 .22534     .01245  .0135  .0103  .0136  .0039  -.0008  -.0020
H1     .125   .9051   .509       .050
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Babingtonite
Download hom/babingtonite.pdf
Nagashima M, Mitani K, Akasaka M
 
Mineralogy and Petrology 108 (2014) 287-301
Structural variation of babingtonite depending on cation
distribution at the octahedral sites
Note: Sample 3
Locality: Kandivali quarry, India
_database_code_amcsd 0020454
7.4664 11.6276 6.6813 91.564 93.889 104.203 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)
Ca1  .78083 .941884 .14282     .01044 .01438 .00811 .00835 .00182  .00148 -.00064
Ca2  .23781 .520298 .30422     .00890 .00701 .00941 .00962 .00115  .00036 -.00258
Fe1  .59366 .643743 .06087 .76 .00700 .00669 .00701 .00729 .00162  .00087  .00010
Mn1  .59366 .643743 .06087 .11 .00700 .00669 .00701 .00729 .00162  .00087  .00010
Mg1  .59366 .643743 .06087 .13 .00700 .00669 .00701 .00729 .00162  .00087  .00010
Fe2  .04708 .235381 .18413 .96 .00596 .00563 .00551 .00659 .00124  .00011 -.00006
Al2  .04708 .235381 .18413 .04 .00596 .00563 .00551 .00659 .00124  .00011 -.00006
Si1  .28792  .05313 .34073     .00661 .00778 .00560 .00608 .00126 -.00035 -.00006
Si2  .46037  .31321 .42487     .00582 .00545 .00574 .00589 .00074  .00009  .00023
Si3  .80615  .44499 .20939     .00562 .00508 .00575 .00594 .00121  .00037  .00029
Si4  .98700  .71334 .31035     .00577 .00597 .00539 .00587 .00132  .00034  .00005
Si5  .32652  .83540 .10588     .00640 .00578 .00621 .00742 .00178  .00082  .00025
O1   .19808  .98701 .53389     .01193  .0163  .0094  .0079 -.0014   .0016   .0011
O2   .13002  .08054 .18390     .00863  .0092  .0097  .0077  .0039  -.0002   .0000
O3   .43355  .17094 .43658     .00986  .0108  .0059  .0116  .0005  -.0025   .0000
O4   .31674  .33806 .24585     .00768  .0070  .0080  .0077  .0016  -.0007   .0010
O5   .55014  .62043 .36545     .00930  .0093  .0103  .0077  .0014   .0014  -.0018
O6   .67761  .37047 .37311     .00814  .0063  .0095  .0081  .0005   .0011   .0018
O7   .96957  .38440 .15711     .00858  .0075  .0075  .0111  .0026   .0010  -.0006
O8   .67801  .47511 .02636     .00840  .0079  .0100  .0074  .0025  -.0007   .0014
O9   .92538  .56849 .33848     .00802  .0085  .0053  .0096  .0010  -.0008   .0000
O10  .87157  .75503 .12447     .00811  .0073  .0094  .0078  .0027  -.0002   .0015
O11  .02202  .22098 .47818     .00957  .0126  .0082  .0072  .0009   .0024  -.0012
O12  .20410  .73687 .25076     .00856  .0065  .0100  .0095  .0020   .0017   .0028
O13  .50949  .79815 .05524     .00999  .0081  .0098  .0131  .0038   .0026   .0008
O14  .80653  .14258 .08221     .00924  .0084  .0089  .0095  .0008  -.0017   .0017
O15  .39452  .96725 .22438     .01052  .0102  .0078  .0132  .0021   .0002  -.0030
H1     .119   .9061   .517       .050
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Babingtonite
Download hom/babingtonite.pdf
Nagashima M, Mitani K, Akasaka M
 
Mineralogy and Petrology 108 (2014) 287-301
Structural variation of babingtonite depending on cation
distribution at the octahedral sites
Note: Sample 4
Locality: Baveno quarry, Italy
_database_code_amcsd 0020455
7.4692 11.6315 6.6865 91.589 93.873 104.208 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)
Ca1  .78156 .942009 .14271     .01064 .01489 .00804 .00849 .00184  .00157 -.00076
Ca2  .23777 .520383 .30389     .00939 .00777 .00960 .01010 .00124  .00056 -.00279
Fe1  .59369 .643874 .06104 .79 .00707 .00711 .00683 .00727 .00165  .00095 -.00012
Mn1  .59369 .643874 .06104 .18 .00707 .00711 .00683 .00727 .00165  .00095 -.00012
Mg1  .59369 .643874 .06104 .03 .00707 .00711 .00683 .00727 .00165  .00095 -.00012
Fe2  .04680 .235434 .18422 .95 .00624 .00620 .00555 .00683 .00130  .00026 -.00015
Al2  .04680 .235434 .18422 .05 .00624 .00620 .00555 .00683 .00130  .00026 -.00015
Si1  .28794  .05319 .34079     .00687 .00838 .00569 .00621 .00138 -.00021 -.00023
Si2  .46055  .31338 .42469     .00604 .00601 .00579 .00590 .00075  .00017  .00003
Si3  .80624  .44523 .20966     .00570 .00544 .00564 .00596 .00123  .00049  .00016
Si4  .98731  .71346 .31033     .00599 .00660 .00535 .00587 .00124  .00043 -.00012
Si5  .32676  .83559 .10615     .00654 .00619 .00610 .00755 .00191  .00088  .00013
O1   .19809  .98721 .53408     .01257  .0173  .0097  .0084 -.0015   .0022   .0011
O2   .12989  .08024 .18403     .00876  .0097  .0093  .0077  .0036  -.0005   .0000
O3   .43365  .17100 .43637     .01000  .0115  .0054  .0117  .0005  -.0026  -.0001
O4   .31675  .33830 .24607     .00799  .0078  .0081  .0078  .0018  -.0008   .0005
O5   .54994  .62038 .36552     .00964  .0099  .0104  .0081  .0017   .0014  -.0021
O6   .67764  .37058 .37303     .00864  .0069  .0098  .0085  .0002   .0016   .0019
O7   .96949  .38460 .15739     .00888  .0077  .0077  .0119  .0029   .0016  -.0007
O8   .67810  .47525 .02639     .00859  .0084  .0103  .0071  .0025  -.0006   .0013
O9   .92548  .56873 .33837     .00834  .0092  .0054  .0097  .0009  -.0006  -.0004
O10  .87188  .75529 .12462     .00854  .0085  .0097  .0077  .0030  -.0002   .0014
O11  .02167  .22090 .47826     .00995  .0131  .0083  .0076  .0009   .0023  -.0019
O12  .20424  .73696 .25061     .00872  .0072  .0099  .0093  .0021   .0017   .0026
O13  .50981  .79850 .05588     .01040  .0087  .0099  .0137  .0038   .0030   .0007
O14  .80579  .14242 .08227     .00944  .0086  .0090  .0095  .0004  -.0014   .0017
O15  .39450  .96738 .22519     .01083  .0110  .0077  .0135  .0023   .0005  -.0030
H1     .119   .9062   .519       .050
Download AMC data (View Text File)
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Babingtonite
Download hom/babingtonite.pdf
Nagashima M, Mitani K, Akasaka M
 
Mineralogy and Petrology 108 (2014) 287-301
Structural variation of babingtonite depending on cation
distribution at the octahedral sites
Note: Sample 5
Locality: Brastad mine, Norway
_database_code_amcsd 0020456
7.4780 11.6418 6.6892 91.564 93.937 104.326 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)
Ca1  .78280 .941941 .14236     .01085 .01498 .00801 .00891 .00164  .00146 -.00059
Ca2  .23741 .520153 .30426     .00916 .00722 .00938 .01010 .00104  .00026 -.00249
Fe1  .59364 .644162 .06135 .52 .00714 .00682 .00700 .00748 .00149  .00067  .00023
Mn1  .59364 .644162 .06135 .35 .00714 .00682 .00700 .00748 .00149  .00067  .00023
Mg1  .59364 .644162 .06135 .13 .00714 .00682 .00700 .00748 .00149  .00067  .00023
Fe2  .04646 .235355 .18493 .98 .00625 .00603 .00541 .00709 .00117  .00001  .00005
Al2  .04646 .235355 .18493 .02 .00625 .00603 .00541 .00709 .00117  .00001  .00005
Si1  .28733  .05336 .34116     .00692 .00798 .00571 .00660 .00113 -.00054  .00010
Si2  .46036  .31354 .42467     .00608 .00595 .00565 .00616 .00070 -.00002  .00018
Si3  .80634  .44493 .20942     .00581 .00512 .00586 .00629 .00109  .00030  .00041
Si4  .98787  .71354 .30991     .00607 .00622 .00545 .00634 .00123  .00008  .00016
Si5  .32707  .83603 .10637     .00674 .00617 .00619 .00807 .00185  .00092  .00052
O1   .19768  .98750 .53461     .01240  .0170  .0093  .0085 -.0017   .0020   .0014
O2   .12938  .08031 .18436     .00887  .0089  .0100  .0082  .0036  -.0007   .0001
O3   .43341  .17132 .43632     .01033  .0116  .0057  .0124  .0008  -.0028   .0000
O4   .31673  .33833 .24619     .00834  .0082  .0085  .0081  .0022  -.0010   .0009
O5   .54992  .62022 .36561     .00955  .0098  .0100  .0082  .0014   .0014  -.0019
O6   .67744  .37080 .37304     .00866  .0070  .0094  .0087  .0003   .0012   .0020
O7   .96945  .38432 .15826     .00892  .0076  .0077  .0120  .0027   .0012  -.0008
O8   .67830  .47432 .02595     .00865  .0081  .0100  .0077  .0023  -.0006   .0013
O9   .92573  .56878 .33793     .00845  .0092  .0051  .0101  .0005  -.0011  -.0002
O10  .87239  .75523 .12439     .00856  .0078  .0092  .0089  .0027  -.0004   .0018
O11  .02078  .22092 .47868     .01024  .0124  .0089  .0085  .0007   .0024  -.0016
O12  .20452  .73696 .25012     .00879  .0066  .0101  .0098  .0019   .0014   .0029
O13  .51026  .79958 .05579     .01054  .0089  .0100  .0140  .0040   .0031   .0010
O14  .80560  .14223 .08244     .01012  .0097  .0091  .0104  .0007  -.0023   .0022
O15  .39334  .96758 .22562     .01083  .0105  .0074  .0142  .0020   .0001  -.0030
H1     .118   .9067   .523       .050
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Babingtonite
Download hom/babingtonite.pdf
Nagashima M, Mitani K, Akasaka M
 
Mineralogy and Petrology 108 (2014) 287-301
Structural variation of babingtonite depending on cation
distribution at the octahedral sites
Note: Sample 7
Locality: Kouraghana, Japan
_database_code_amcsd 0020457
7.4672 11.6235 6.6805 91.530 93.880 104.222 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)
Ca1  .78048 .94171 .14310     .01376 .01696 .01287 .01052 .00232 -.00041  .00049
Ca2  .23744 .52035 .30380     .01132 .00848 .01342 .01095 .00126 -.00106 -.00114
Fe1  .59359 .64352 .06055 .79 .00960 .00847 .01101 .00883 .00168 -.00060  .00179
Mn1  .59359 .64352 .06055 .10 .00960 .00847 .01101 .00883 .00168 -.00060  .00179
Mg1  .59359 .64352 .06055 .11 .00960 .00847 .01101 .00883 .00168 -.00060  .00179
Fe2  .04755 .23542 .18360 .94 .00882 .00786 .00964 .00830 .00139 -.00159  .00152
Al2  .04755 .23542 .18360 .06 .00882 .00786 .00964 .00830 .00139 -.00159  .00152
Si1  .28789 .05294 .34039     .00941 .00986 .00992 .00764 .00151 -.00198  .00145
Si2  .46033 .31335 .42499     .00824 .00726 .00964 .00699 .00092 -.00154  .00168
Si3  .80619 .44493 .20954     .00792 .00675 .00938 .00708 .00132 -.00135  .00176
Si4  .98641 .71334 .31058     .00830 .00783 .00925 .00727 .00147 -.00141  .00154
Si5  .32631 .83530 .10569     .00914 .00772 .01032 .00904 .00178 -.00064  .00181
O1   .19781 .98673 .53348      .0153  .0191  .0143  .0099 -.0012   .0001   .0028
O2   .13022 .08049 .18373     .01204  .0112  .0149  .0101  .0043  -.0026   .0017
O3   .43343 .17093 .43701      .0128  .0134  .0090  .0138  .0003  -.0050   .0014
O4   .31716 .33842 .24604     .01035  .0090  .0122  .0093  .0023  -.0023   .0023
O5   .54992 .62043 .36513     .01178  .0107  .0142  .0095  .0017  -.0002  -.0004
O6   .67780 .36976 .37332     .01080  .0081  .0138  .0094  .0007  -.0003   .0034
O7   .96915 .38435 .15692     .01104  .0092  .0115  .0125  .0031  -.0004   .0010
O8   .67774 .47531 .02678     .01069  .0091  .0137  .0086  .0022  -.0025   .0030
O9   .92553 .56845 .33895     .01061  .0106  .0088  .0112  .0009  -.0029   .0009
O10  .87076 .75481 .12466     .01095  .0097  .0136  .0096  .0033  -.0020   .0033
O11  .02276 .22100 .47787     .01217  .0142  .0123  .0087  .0011   .0002  -.0002
O12  .20384 .73717 .25104     .01144  .0085  .0148  .0108  .0021   .0000   .0044
O13  .50900 .79760 .05520      .0132  .0113  .0137  .0158  .0048   .0019   .0029
O14  .80610 .14246 .08276      .0125  .0111  .0144  .0105  .0012  -.0038   .0032
O15  .39486 .96729 .22397      .0139  .0140  .0115  .0151  .0020  -.0015  -.0013
H1     .122  .9048   .529       .050
Download AMC data (View Text File)
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Manganbabingtonite
Download hom/manganbabingtonite.pdf
Nagashima M, Mitani K, Akasaka M
 
Mineralogy and Petrology 108 (2014) 287-301
Structural variation of babingtonite depending on cation
distribution at the octahedral sites
Note: Sample 6
Locality: Iron Cap mine, Graham County, Arizona, USA
_database_code_amcsd 0020458
7.4967 11.6632 6.7014 91.602 93.989 104.574 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)
Ca1  .78527 .94188 .14065     .01425  .0205  .0139  .0076  .0029  .0017  -.0016
Ca2  .23699 .51981 .30439     .01319  .0131  .0158  .0097  .0027  .0002  -.0036
Fe1  .59341 .64493 .06234 .23 .01079  .0125  .0131  .0065  .0029 .00079 -.00077
Mn1  .59341 .64493 .06234 .74 .01079  .0125  .0131  .0065  .0029 .00079 -.00077
Mg1  .59341 .64493 .06234 .03 .01079  .0125  .0131  .0065  .0029 .00079 -.00077
Fe2  .04515 .23514 .18576 .97 .00927  .0116  .0104  .0056  .0025 .00010 -.00092
Al2  .04515 .23514 .18576 .03 .00927  .0116  .0104  .0056  .0025 .00010 -.00092
Si1  .28630 .05405 .34250      .0113  .0144  .0122  .0066  .0027 -.0004  -.0006
Si2  .46026 .31431 .42419     .01001  .0114  .0124  .0059  .0027  .0000  -.0007
Si3  .80683 .44495 .20928     .00951  .0112  .0118  .0053  .0026  .0004  -.0014
Si4  .98996 .71407 .30967     .01015  .0128  .0112  .0062  .0029  .0003  -.0012
Si5  .32797 .83740 .10741      .0109  .0130  .0124  .0072  .0031  .0009  -.0009
O1    .1968  .9893  .5365      .0170  .0220  .0162  .0099 -.0004  .0014   .0008
O2    .1285  .0802  .1856      .0129  .0156  .0160  .0073  .0044  .0003  -.0004
O3    .4331 .17216  .4356      .0143  .0179  .0111  .0126  .0029 -.0039  -.0001
O4    .3163  .3385  .2463      .0122  .0150  .0135  .0075  .0032 -.0002   .0004
O5    .5496  .6195  .3668      .0137  .0140  .0160  .0097  .0018  .0012  -.0024
O6    .6772  .3712  .3724      .0119  .0119  .0162  .0072  .0028 -.0002   .0007
O7    .9696  .3842  .1599      .0135  .0138  .0151  .0116  .0039  .0013  -.0027
O8    .6796  .4729  .0248      .0128  .0142  .0154  .0082  .0024  .0013   .0009
O9    .9266 .56918  .3367      .0123  .0162  .0108  .0087  .0019 -.0011  -.0021
O10   .8744  .7564  .1255      .0134  .0153  .0157  .0093  .0039  .0014   .0009
O11   .0185  .2210  .4790      .0149  .0203  .0147  .0093  .0036  .0021  -.0035
O12   .2054  .7371  .2493      .0129  .0138  .0156  .0088  .0028  .0003   .0006
O13   .5115  .8026  .0575      .0153  .0167  .0183  .0123  .0068  .0028   .0008
O14   .8047  .1412  .0816      .0141  .0171  .0151  .0082  .0012 -.0010  -.0010
O15   .3917  .9682  .2291      .0158  .0175  .0144  .0141  .0025 -.0006  -.0046
H1     .119  .9078   .524       .050
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 37
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