American Mineralogist Crystal Structure Database

58 matching records for this search.

Penkvilksite
Download hom/penkvilksite.pdf
Merlino S, Pasero M, Artioli G, Khomyakov A P
Download am/vol79/AM79_1185.pdf
American Mineralogist 79 (1994) 1185-1193
Penkvilksite, a new kind of silicate structure: OD character, X-ray
single-crystal (1M), and powder Rietveld (2O) refinements of two MDO polytypes
Note: polytype 2O
_database_code_amcsd 0001688
16.3721 8.7492 7.4020 90 90 90 Pnca
atom     x     y      z occ  Uiso
Ti       0    .5      0  .9 .0310
Zr       0    .5      0  .1 .0310
Si1  .0825 .1613  .1247     .0312
Si2  .1567 .4399  .2603     .0161
Na   .1023 .6911  .6220      .063
O1   .1599 .2612  .2006      .025
O2   .0501 .0372  .2695      .028
O3   .0074 .2704  .0633      .025
O4   .1162 .0507 -.0389      .033
O5   .1115 .5394  .1052      .021
O6     .25    .5  .2705      .016
OW   .1954 .6844 -.1548      .049
H1    .173  .586  -.108       .10
H2    .242  .650  -.232       .14
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Penkvilksite
Download hom/penkvilksite.pdf
Merlino S, Pasero M, Artioli G, Khomyakov A P
Download am/vol79/AM79_1185.pdf
American Mineralogist 79 (1994) 1185-1193
Penkvilksite, a new kind of silicate structure: OD character, X-ray
single-crystal (1M), and powder Rietveld (2O) refinements of two MDO polytypes
Note: polytype 1M
Data has been corrected according to the ICSD
_database_code_amcsd 0001689
8.956 8.727 7.387 90 112.74 90 P2_1/c
atom     x     y     z  Uiso
Ti       0    .5     0 .0072
Si1  .1598 .1599 .1981 .0081
Si2  .3138 .4423 .4067 .0082
Na   .1928 .6912 .7136 .0266
O1   .3136 .2621 .3462 .0124
O2   .1032 .0379 .3202 .0118
O3   .0207 .2781 .0677 .0119
O4   .2347 .0519 .0704 .0126
O5   .2091 .5387 .2153 .0109
O6      .5     0     0 .0142
OW   .3696 .6888 .0286 .0451
H1    .330  .605  .093   .17
H2    .488  .667  .066   .17
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Nacaphite
Download hom/nacaphite.pdf
Sokolova E V, Kabalov Y K, Ferraris G, Schneider J, Khomyakov A P
Download cm/vol37/CM37_83.pdf
The Canadian Mineralogist 37 (1999) 83-90
Modular approach in solving the crystal structure of a synthetic dimorph of
nacaphite, Na2Ca[PO4]F, from powder-diffraction data
_database_code_amcsd 0005594
7.0179 7.0179 40.56 90 90 120 R3m
atom    x     y    z  occ Biso
Na1  .171 -.171 .270  2/3  1.5
Ca1  .171 -.171 .270  1/3  1.5
Na2  .170 -.170 .131  2/3  1.5
Ca2  .170 -.170 .131  1/3  1.5
Na3  .162 -.162 .400  2/3  1.5
Ca3  .162 -.162 .400  1/3  1.5
Na4  .158 -.158 .536  2/3  1.5
Ca4  .158 -.158 .536  1/3  1.5
Na5  .160 -.160 .673  2/3  1.5
Ca5  .160 -.160 .673  1/3  1.5
P1      0     0 .195       1.2
P2      0     0 .938       1.2
P3      0     0 .327       1.1
P4      0     0 .805       1.2
P5      0     0 .069       1.1
O1      0     0 .159       2.0
O2      0     0 .289       1.0
O3      0     0 .031       2.1
O4      0     0 .767       3.9
O5      0     0 .900       2.2
O6   .116 -.116 .215       1.2
O7   .541 -.541 .274       1.3
O8   .543 -.543 .139       1.8
O9   .119 -.119 .345       1.2
O10  .882 -.882 .083       2.0
F1      0     0 .423       1.4
F2      0     0 .569       1.2
F3      0     0 .647       2.2
F4      0     0 .704       1.4
F5      0     0 .495       1.4
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Malinkoite
 
Sokolova E V, Hawthorne F C, Khomyakov A P
Download cm/vol39/CM39_159.pdf
The Canadian Mineralogist 39 (2001) 159-169
The crystal chemistry of malinkoite, NaBSiO4, and lisitsynite, KBSi2O6,
from the Khibina-Lovozero complex, Kola Peninsula, Russia
Locality: Khibina-Lovozero complex, Kola Peninsula, Russia
_database_code_amcsd 0005709
13.8964 13.8964 7.7001 90 90 120 P6_3
atom      x      y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si1  .87861 .78275 .3325 .0077  .0070  .0065  .0099  .0035  .0009  .0004
Si2  .78805 .55086 .7395 .0061  .0062  .0072  .0056  .0038 -.0006  .0005
Si3  .43112 .54549 .7456 .0061  .0060  .0061  .0057  .0026  .0008  .0009
B1    .5524  .7657 .8665 .0086  .0075  .0087  .0079  .0029 -.0014  .0010
B2    .5670  .4537 .8673 .0089  .0090  .0081  .0107  .0049 -.0002 -.0022
B3    .1206  .2191 .2137 .0054  .0055  .0084  .0033  .0042 -.0010  .0012
Na1       0      0 .0534 .0166  .0183  .0183  .0131  .0091      0      0
Na2   .6542  .6668 .5673 .0135  .0092  .0221  .0056  .0051  .0000 -.0003
Na3     1/3    2/3 .5246 .0183  .0180  .0180  .0190  .0090      0      0
Na4     2/3    1/3 .5233 .0197  .0188  .0188  .0213  .0094      0      0
Na5   .3115  .3262 .5023 .0168  .0207  .0136  .0165  .0089 -.0022  .0005
O1    .8652  .6626 .2871 .0082  .0086  .0067  .0079  .0028  .0036  .0014
O2    .5389  .5350 .7911 .0086  .0082  .0090  .0105  .0057  .0013  .0036
O3    .8012  .6714 .7847 .0080  .0093  .0050  .0088  .0030  .0014  .0008
O4    .8692  .5288 .8639 .0081  .0113  .0095  .0057  .0068 -.0022 -.0020
O5    .0083  .8777 .3118 .0089  .0074  .0086  .0105  .0038  .0036 -.0002
O6    .3931  .5113 .5456 .0103  .0120  .0094  .0052  .0020 -.0005 -.0008
O7    .3269  .4647 .8683 .0087  .0071  .0113  .0076  .0045  .0004  .0034
O8    .8429  .7873 .5327 .0102  .0097  .0143  .0060  .0054  .0002  .0006
O9    .6589  .4559 .7671 .0089  .0042  .0082  .0128  .0020  .0008 -.0014
O10   .8245  .5479 .5418 .0092  .0095  .0143  .0054  .0072  .0015  .0006
O11   .4648  .6758 .7626 .0097  .0089  .0058  .0137  .0032 -.0024  .0000
O12   .7998  .8064 .2049 .0108  .0134  .0097  .0116  .0075 -.0030 -.0003
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Megakalsilite
 
Khomyakov A P, Nechelyustov G N, Sokolova E V, Bonaccorsi E, Merlino S, Pasero M
Download cm/vol40/CM40_961.pdf
The Canadian Mineralogist 40 (2002) 961-970
Megakalsilite, a new polymorph of KAlSiO4 from the Khibina alkaline massif,
Kola Peninsula, Russia: mineral description and crystal structure
Locality: Khibina alkaline massif, Kola Peninsula, Russia
_database_code_amcsd 0005778
18.1111 18.1111 8.4619 90 90 120 P6_3
atom      x     y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si(1) .8321 .8406 .1939 .0110  .0108  .0099  .0119  .0049 -.0006  .0007
Si(2) .6655 .6652 .7939 .0106  .0106  .0104  .0109  .0052 -.0007  .0004
Si(3) .6578 .4940 .1784 .0111  .0110  .0102  .0120  .0052  .0010 -.0004
Si(4) .5039 .6775 .1778 .0116  .0118  .0103  .0126  .0055  .0001 -.0016
Al(1) .8303 .8381 .8114 .0108  .0106  .0106  .0112  .0052  .0001  .0017
Al(2) .6683 .6682 .1834 .0110  .0115  .0108  .0107  .0055 -.0002  .0002
Al(3) .6554 .4915 .7961 .0109  .0122  .0111  .0105  .0066  .0002 -.0001
Al(4) .5014 .6761 .7962 .0110  .0102  .0104  .0120  .0050  .0009  .0006
K(1)      0     0 .4862 .0201  .0206  .0206  .0192  .0103      0      0
K(2)    2/3   1/3 .5052 .0208  .0204  .0204  .0218  .0102      0      0
K(3)    1/3   2/3 .5048 .0217  .0209  .0209  .0233  .0105      0      0
K(4)  .4776 .0047 .4916 .0230  .0291  .0213  .0208  .0141 -.0007  .0021
K(5)  .6665 .8126 .4946 .0235  .0238  .0264  .0199  .0123  .0023  .0007
K(6)  .8049 .6675 .4956 .0233  .0229  .0229  .0240  .0113  .0039  .0072
O(1)  .8161 .8533 .0101 .0175  .0188  .0200  .0150  .0106 -.0011 -.0008
O(2)  .6699 .6650 .9824 .0198  .0278  .0201  .0121  .0125 -.0003 -.0015
O(3)  .6272 .4778 .9951 .0155  .0150  .0171  .0143  .0078 -.0003  .0025
O(4)  .5164 .7065 .9940 .0171  .0203  .0159  .0135  .0079  .0003 -.0023
O(5)  .9308 .8671 .2178 .0172  .0130  .0167  .0221  .0074 -.0022  .0040
O(6)  .7365 .4676 .7714 .0163  .0131  .0167  .0204  .0083  .0062  .0036
O(7)  .8009 .3960 .2724 .0151  .0152  .0115  .0193  .0073  .0036 -.0006
O(8)  .9075 .8084 .7999 .0183  .0199  .0231  .0166  .0142  .0053  .0038
O(9)  .5250 .7663 .6852 .0178  .0187  .0188  .0202  .0127  .0072  .0065
O(10) .4361 .5771 .1895 .0193  .0198  .0116  .0227  .0049  .0052 -.0011
O(11) .7702 .7420 .2507 .0155  .0148  .0128  .0173  .0059 -.0043  .0002
O(12) .8981 .5948 .7519 .0160  .0138  .0162  .0137  .0042  .0024 -.0028
O(13) .9256 .3585 .2558 .0151  .0156  .0228  .0119  .0135 -.0029 -.0028
O(14) .3587 .9297 .7338 .0161  .0190  .0122  .0188  .0092  .0040  .0026
O(15) .5944 .9066 .2253 .0155  .0108  .0131  .0175  .0023  .0017 -.0039
O(16) .7348 .7584 .7258 .0168  .0172  .0150  .0159  .0062 -.0024 -.0005
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Fersmanite
Download hom/fersmanite.pdf
Sokolova E V, Hawthorne F C, Khomyakov A P
Download cm/vol40/CM40_1421.pdf
The Canadian Mineralogist 40 (2002) 1421-1428
The crystal chemistry of fersmanite, Ca4(Na,Ca)4(Ti,Nb)4(Si2O7)2O8F3
_database_code_amcsd 0005791
10.183 10.183 20.396 90 97.19 90 C2/c
atom        x       y       z  occ  Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Ti-M1  .10817  .56293  .18725 .595 .0149  .0141  .0146  .0160 -.00003 .00143 -.00018
Nb-M1  .10817  .56293  .18725 .405 .0149  .0141  .0146  .0160 -.00003 .00143 -.00018
Ti-M2  .14013  .81125  .31258  .60 .0145  .0133  .0147  .0152 -.00001 .00043 -.00040
Nb-M2  .14013  .81125  .31258  .40 .0145  .0133  .0147  .0152 -.00001 .00043 -.00040
Ca-A1  .33102 1.06505  .06387 .985 .0192  .0199  .0210  .0166  -.0062  .0011   .0002
Fe-A1  .33102 1.06505  .06387 .007 .0192  .0199  .0210  .0166  -.0062  .0011   .0002
Mn-A1  .33102 1.06505  .06387 .008 .0192  .0199  .0210  .0166  -.0062  .0011   .0002
Ca-A2  .07673  .81020  .06675 .985 .0194  .0199  .0207  .0171  -.0067  .0009  -.0003
Fe-A2  .07673  .81020  .06675 .008 .0194  .0199  .0207  .0171  -.0067  .0009  -.0003
Mn-A2  .07673  .81020  .06675 .007 .0194  .0199  .0207  .0171  -.0067  .0009  -.0003
Na-A3  .38457  .55893  .30528  .58 .0239  .0240  .0236  .0243  -.0025  .0045   .0021
Ca-A3  .38457  .55893  .30528  .40 .0239  .0240  .0236  .0243  -.0025  .0045   .0021
Sr-A3  .38457  .55893  .30528  .02 .0239  .0240  .0236  .0243  -.0025  .0045   .0021
Na-A4  .35750  .81652  .19449 .605 .0230  .0212  .0232  .0236   .0027 -.0006   .0023
Ca-A4  .35750  .81652  .19449 .375 .0230  .0212  .0232  .0236   .0027 -.0006   .0023
Sr-A4  .35750  .81652  .19449  .02 .0230  .0212  .0232  .0236   .0027 -.0006   .0023
Si1   -.06952  .70163 -.08346      .0141  .0132  .0146  .0139   .0000 -.0008  -.0022
Si2    .15357  .92428 -.08300      .0145  .0143  .0148  .0147   .0003  .0026   .0022
O1     -.2105   .7588 -.11832      .0233  .0195  .0256  .0235   .0064 -.0020  -.0042
O2     -.0213   .5686 -.11832      .0231  .0251  .0205  .0223   .0051 -.0021  -.0056
O3     -.0622   .6891 -.00553      .0245  .0294  .0277  .0161  -.0078  .0013  -.0004
O4      .0366   .8130 -.10396      .0287  .0275  .0256  .0327  -.0140  .0030   .0020
O5      .0878  1.0567 -.11826      .0238  .0289  .0209  .0230   .0074  .0092   .0049
O6      .1849   .9365 -.00537      .0283  .0321  .0364  .0160  -.0100  .0009  -.0003
O7      .2773   .8675 -.11807      .0242  .0222  .0290  .0224   .0059  .0066   .0090
O8      .2586   .9371  .28388      .0190  .0188  .0187  .0192  -.0030  .0017   .0011
O9      .1915   .6872  .24989      .0188  .0198  .0196  .0169  -.0022  .0021  -.0042
O10     .0264   .6869  .35313      .0166  .0159  .0147  .0193  -.0003  .0022  -.0014
O11         0   .4963     .25      .0184  .0185  .0206  .0160       0  .0026       0
O12         0   .8787     .25      .0204  .0215  .0175  .0210       0 -.0022       0
F1      .2213   .9385  .13101      .0217  .0225  .0238  .0184  -.0032  .0018  -.0008
F2         .5   .6876     .25      .0266  .0260  .0233  .0300       0  .0019       0
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Nepheline
Download hom/nepheline.pdf
Tait K T, Sokolova E V, Hawthorne F C, Khomyakov A P
Download cm/vol41/CM41_61.pdf
The Canadian Mineralogist 41 (2003) 61-70
The crystal chemistry of nepheline
Note: sample 1
Locality: Khibina-Lovozero complex, Kola peninsula, Russia
_database_code_amcsd 0005822
9.9995 9.9995 8.384 90 90 120 P6_3
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
KA        0      0 .01170 .955 .02164 .01898 .01898  .0270 .00949      0      0
NaB  .99905 .55466  .5178      .02311  .0311  .0238  .0193  .0174 -.0013  .0010
AlT1    2/3    1/3  .2121  .97 .01011  .0096  .0096  .0112 .00478      0      0
SiT1    2/3    1/3  .2121  .02 .01011  .0096  .0096  .0112 .00478      0      0
FeT1    2/3    1/3  .2121  .01 .01011  .0096  .0096  .0112 .00478      0      0
SiT2    1/3    2/3  .3222      .01037  .0101  .0101  .0109 .00506      0      0
SiT3 .75946 .66605 .33229      .00985  .0091  .0096  .0115  .0051 -.0001 -.0002
AlT4 .09249 .75965 .20566  .97 .00899  .0077  .0084  .0107  .0038  .0001 -.0001
SiT4 .09249 .75965 .20566  .02 .00899  .0077  .0084  .0107  .0038  .0001 -.0001
FeT4 .09249 .75965 .20566  .01 .00899  .0077  .0084  .0107  .0038  .0001 -.0001
O1    .3697   .696  .5103  1/3   .027   .017   .049  .0091   .013   .002   .005
O2   .71067 .68560  .5113      .02036  .0170  .0384  .0107  .0176 -.0007 -.0003
O3    .1728  .6484  .2610       .0274  .0111  .0104  .0618  .0063 -.0042  .0030
O4    .6516 .48999  .2766       .0240  .0140  .0105  .0484  .0075 -.0061 -.0086
O5   .94000 .71478  .3346       .0136  .0097  .0174  .0133  .0065  .0001 -.0014
O6   .73563 .77827  .2110       .0166  .0211  .0163  .0185  .0138  .0026  .0041
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Nepheline
Download hom/nepheline.pdf
Tait K T, Sokolova E V, Hawthorne F C, Khomyakov A P
Download cm/vol41/CM41_61.pdf
The Canadian Mineralogist 41 (2003) 61-70
The crystal chemistry of nepheline
Note: sample 2
Locality: Bancroft, Ontario, Canada
_database_code_amcsd 0005823
9.985 9.985 8.372 90 90 120 P6_3
atom       x      y      z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3)  U(2,3)
KA         0      0 .01170 .80  .0241  .0204  .0204  .0316 .01019      0       0
CaA        0      0 .01170 .04  .0241  .0204  .0204  .0316 .01019      0       0
NaB   .99813 .55455  .5174     .02352  .0312  .0241  .0204  .0176 -.0017   .0002
AlT1     2/3    1/3  .2114 .97  .0119  .0108  .0108  .0142  .0054      0       0
SiT1     2/3    1/3  .2114 .03  .0119  .0108  .0108  .0142  .0054      0       0
SiT2     1/3    2/3  .3225      .0118  .0123  .0123  .0110 .00613      0       0
SiT3  .75966 .66575  .3322     .01130  .0107  .0109  .0129  .0058  .0004   .0003
AlT4  .09294 .76047  .2056 .94 .01051  .0082  .0095  .0127  .0036  .0001  -.0001
SiT4  .09294 .76047  .2056 .06 .01051  .0082  .0095  .0127  .0036  .0001  -.0001
O1     .3720   .694  .5091 1/3   .035   .017   .072   .012   .020  .0070    .029
O2    .71056 .68338  .5121      .0243  .0187  .0462  .0140  .0208 -.0012   .0030
O3     .1731  .6497  .2621      .0314  .0131  .0119  .0692  .0064 -.0058   .0017
O4     .6516  .4889  .2759      .0263  .0148  .0113  .0541  .0076 -.0083  -.0078
O5     .9399  .7137  .3328      .0141  .0090  .0178  .0161  .0072  .0004  -.0012
O6     .7341  .7764  .2111      .0188  .0223  .0208  .0202  .0159  .0035   .0030
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Nepheline
Download hom/nepheline.pdf
Tait K T, Sokolova E V, Hawthorne F C, Khomyakov A P
Download cm/vol41/CM41_61.pdf
The Canadian Mineralogist 41 (2003) 61-70
The crystal chemistry of nepheline
Note: sample 3
Locality: Monte Somma, Italy
_database_code_amcsd 0005824
9.9979 9.9979 8.3852 90 90 120 P6_3
atom       x      y      z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3)  U(2,3)
KA         0      0 .01170 .88 .02170 .01841 .01841  .0283 .00920      0       0
NaB   .99817 .55432  .5179 .98 .02255  .0305  .0230  .0190 .01703 -.0011   .0008
CaB   .99817 .55432  .5179 .02 .02255  .0305  .0230  .0190 .01703 -.0011   .0008
AlT1     2/3    1/3  .2118 .99 .01030  .0098  .0098  .0113 .00491      0       0
SiT1     2/3    1/3  .2118 .01 .01030  .0098  .0098  .0113 .00491      0       0
SiT2     1/3    2/3 .32226     .01048 .01035 .01035  .0107 .00517      0       0
SiT3  .75948 .66603 .33221     .00994 .00933 .00965  .0117 .00538 -.0001 -.00061
AlT4  .09289 .76022 .20557 .98 .00960  .0081  .0085  .0117 .00376  .0003  -.0002
SiT4  .09289 .76022 .20557 .01 .00960  .0081  .0085  .0117 .00376  .0003  -.0002
FeT4  .09289 .76022 .20557 .01 .00960  .0081  .0085  .0117 .00376  .0003  -.0002
O(1)   .3698  .7021  .5099 1/3  .0273   .027   .043  .0088  .0152  -.001    .001
O(2)  .71021 .68420  .5111     .02174  .0178  .0416  .0112  .0189  .0009   .0011
O(3)  .17348 .64926  .2616      .0290  .0096  .0124  .0657  .0060 -.0042   .0032
O(4)  .65115 .48976  .2757      .0251  .0133  .0097  .0531  .0062 -.0061  -.0083
O(5)  .94001 .71420  .3341      .0146  .0098  .0189  .0151  .0073  .0011  -.0008
O(6)  .73421 .77705  .2109      .0167  .0220  .0172  .0175  .0147  .0036   .0040
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Paravinogradovite
 
Khomyakov A P, Kulikova I E, Sokolova E V, Hawthorne F C, Kartashov P M
Download cm/vol41/CM41_989.pdf
The Canadian Mineralogist 41 (2003) 989-1002
Paravinogradovite, (Na,_)2[(Ti,Fe)4{Si2O6}2{Si3AlO10}(OH)4]H2O, a new mineral species
from the Khibina Alkaline Massif, Kola Penninsula, Russia: Description and crystal structure
Locality: Khibina Alkaline Massif, Kola Penninsula, Russia
_database_code_amcsd 0005880
5.2533 8.7411 12.9480 70.466 78.472 89.932 P1
atom         x       y       z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
NaX(1)  -.0044   .4533   .2092 .76 .0213   .022   .017   .027  .0033 -.0120 -.0075
NaX(2)  -.5125  -.1599   .2099 .43  .018   .014   .026   .017   .007  -.009  -.008
NaX(3)   -.522    .154   -.202 .16  .048   .054   .025    .09   .001  -.051  -.031
NaA(1)   -.144   -.007  -.5069 .18   .05
NaA(2)   -.338   -.009  -.4949 .20   .05
NaA(3)    .250   -.007   -.504 .15   .05
NaA(4)    .403   -.069  -.5053 .19   .05
KA(5)    -.167    .119  -.5018 .13   .05
TiM(1)  -.0026  .04863  .19107 .88 .0101  .0126  .0087  .0082  .0020 -.0024 -.0017
FeM(1)  -.0026  .04863  .19107 .12 .0101  .0126  .0087  .0082  .0020 -.0024 -.0017
TiM(2)  -.0129 -.04434 -.19148 .88 .0090  .0090  .0083  .0089  .0003 -.0004 -.0027
FeM(2)  -.0129 -.04434 -.19148 .12 .0090  .0090  .0083  .0089  .0003 -.0004 -.0027
TiM(3)  -.4946  .26018  .19098 .88 .0109  .0129  .0094  .0106 -.0011  .0003 -.0053
FeM(3)  -.4946  .26018  .19098 .12 .0109  .0129  .0094  .0106 -.0011  .0003 -.0053
TiM(4)   .4862 -.26523 -.18922 .88 .0086  .0080  .0104  .0077 -.0005 -.0002 -.0042
FeM(4)   .4862 -.26523 -.18922 .12 .0086  .0080  .0104  .0077 -.0005 -.0002 -.0042
SiT(1)   .2915   .3566 -.03811 .90 .0077  .0075  .0078  .0081  .0007 -.0007 -.0037
AlT(1)   .2915   .3566 -.03811 .10 .0077  .0075  .0078  .0081  .0007 -.0007 -.0037
SiT(2)  -.3067  -.3511  .03801     .0082  .0070  .0075  .0090  .0006 -.0027 -.0008
SiT(3)  -.2082   .1883 -.04019     .0079  .0066  .0109  .0065  .0020 -.0010 -.0035
SiT(4)   .1950  -.1767  .03601 .70 .0068  .0049  .0064  .0092 -.0008 -.0010 -.0029
BeT(4)   .1950  -.1767  .03601 .30 .0068  .0049  .0064  .0092 -.0008 -.0010 -.0029
SiT(5)   .2062   .3336 -.36896     .0109  .0123  .0107  .0074 -.0002 -.0009 -.0005
SiT(6)  -.6435   .4611  .37055     .0109  .0099  .0134  .0088  .0004 -.0012 -.0034
SiT(7)   .7022  -.4672 -.36715     .0116  .0151  .0113  .0082 -.0015  .0006 -.0046
SiT(8)  -.1473  -.3384  .37178     .0081  .0082  .0068  .0085 -.0001 -.0002 -.0023
O(1)     .2298   .2759   .1001     .0089   .009   .006   .010  .0003 -.0023  -.001
O(2)    -.2727   .1280   .0982     .0092   .010   .009   .008 -.0013 -.0015  -.002
O(3)     .1820  -.0266   .0796     .0125   .013   .014   .015  .0026  -.004  -.010
O(4)    -.3190   .4508   .0874     .0127   .012   .011   .011 -.0035 -.0032   .002
Oh(5)   -.2230   .1845   .2703     .0090   .010   .009   .007 -.0020  .0009  -.002
Oh(6)    .2806   .0462   .2696     .0102   .013   .010   .006 -.0019 -.0028  -.001
O(7)     .0622   .2984  -.0880     .0117   .007   .017   .012 -.0074 -.0018  -.007
O(8)     .5633   .2926  -.0873     .0103   .008   .011   .011  .0024 -.0021  -.004
O(9)    -.1598  -.1403   .2851     .0138   .020   .011   .007  -.003  -.003   .002
O(10)   -.2439  -.3399   .5074     .0259   .047   .014   .014   .003  -.004  -.003
O(11)   -.6661   .3483   .2922     .0153   .016   .018   .017  .0035  -.004  -.010
O(12)   -.8384   .6044   .3455     .0182   .017   .019   .018  .0018  .0009 -.0092
O(13)   -.3498   .5320   .3436     .0199   .016   .019   .024 -.0019 -.0023  -.007
Oh(14)   .2123  -.1833  -.2710     .0144   .011   .021   .014   .010  -.007  -.008
Oh(15)  -.2848  -.0542  -.2727     .0141   .011   .014   .016 -.0005  -.001  -.005
O(16)    .2560  -.1311  -.0987     .0100   .007   .014   .008 -.0013  .0002  -.005
O(17)   -.2460  -.2707  -.0975     .0102   .011   .015   .004 -.0011 -.0028  -.000
O(18)   -.1855   .0323  -.0837     .0116   .009   .010   .017  .0020 -.0015  -.007
O(19)   -.0820  -.2910   .0875     .0103   .006   .015   .007 -.0017 -.0002  -.001
O(20)    .3102   .5513  -.0778     .0107   .011   .007   .014  .0039 -.0024  -.003
O(21)   -.5839  -.2929   .0880     .0128   .010   .018   .006  .0044 -.0011   .002
O(22)    .1528   .1419  -.2923     .0175   .015   .014   .017  -.008   .004  -.002
O(23)    .2698   .3409  -.4990     .0188   .027   .020   .006  -.001   .003  -.003
O(24)    .6509  -.3643  -.2839     .0197   .025   .023   .015   .008  -.003  -.012
O(25)    .9577  -.5687  -.3444     .0359   .034   .042   .027   .018   .001  -.009
O(26)    .4552   .4075  -.3431     .0312   .041   .027   .020  -.019  -.008  -.001
Wat(27)   .260  -.1620  -.5003 .48   .05
Wat(28)  -.316    .120  -.4936 .38   .05
Wat(29)   .092   -.065  -.4922 .31   .05
H(1)     -.239    .151   .3484     .0108
H(2)      .276   -.042    .345      .012
H(3)      .118   -.243   -.309      .017
H(4)     -.360    .029   -.298      .017
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Seidite-(Ce)
 
Ferraris G, Belluso E, Gula A, Soboleva S V, Khomyakov A P
Download cm/vol41/CM41_1183.pdf
The Canadian Mineralogist 41 (2003) 1183-1192
The crystal structure of seidite-(Ce), Na4(Ce,Sr)2{Ti(OH)2(Si8O18)}(O,OH,F)4.5H2O,
a modular microporous titanosilicate of the rhodesite group
_database_code_amcsd 0005884
24.61 7.23 14.53 90 94.6 90 C2/c
atom     x    y    z occ
Si1   .136 .008 .083
Si2   .126 .068 .870
Si3   .185 .254 .260
Si4   .183 .699 .212
Ti       0    0    0 .86
Nb       0    0    0 .06
Mn       0    0    0 .05
Fe       0    0    0 .02
Ce    .195 .750 .960 .21
La    .195 .750 .960 .15
Nd    .195 .750 .960 .05
Pr    .195 .750 .960 .02
Sm    .195 .750 .960 .01
Sr    .195 .750 .960 .27
Ca    .195 .750 .960 .10
Th    .195 .750 .960 .06
Na1   .061 .759 .215 .80
K1    .061 .759 .215 .07
Ba1   .061 .759 .215 .03
Na2   .159 .370 .045 .80
K2    .159 .370 .045 .07
Ba2   .159 .370 .045 .03
O1    .071 .966 .072
O2    .150 .048 .977
O3    .157 .204 .800
O4    .068 .102 .915
O5    .161 .807 .116
O6    .251 .225 .273
O7    .159 .134 .171
O8    .180 .475 .231
O9    .149 .885 .819
OH10  .987 .264 .036
Wat11    0 .473  .25
Wat12    0 .091  .25
Wat13 .062 .512 .043
O14   .265 .944 .932
Wat15  .25  .25    0
O16   .127 .514 .909 .11
OH16  .127 .514 .909 .40
F16   .127 .514 .909 .42
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Olgite
Download hom/olgite.pdf
Sokolova E, Hawthorne F C, Khomyakov A P
Download cm/vol43/CM43_1521.pdf
The Canadian Mineralogist 43 (2005) 1521-1526
Refinement of the crystal structure and revision of the
chemical formula of olgite: (Ba,Sr) (Na,Sr,REE)2 Na [PO4]2
Locality: Lovozero alkaline massif, Kola Peninsula, Russia
Sample: I
_database_code_amcsd 0006063
5.5606 5.5606 7.0450 90 90 120 P-3m1
atom     x      y     z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
BaM1     0      0    .5  .76 .0362  .0472  .0472  .0140  .0236      0      0
SrM1     0      0    .5  .20 .0362  .0472  .0472  .0140  .0236      0      0
KM1      0      0    .5  .04 .0362  .0472  .0472  .0140  .0236      0      0
NaM2   1/3    2/3 .1634 .575 .0210  .0228  .0228  .0174  .0114      0      0
SrM2   1/3    2/3 .1634  .34 .0210  .0228  .0228  .0174  .0114      0      0
LaM2   1/3    2/3 .1634  .05 .0210  .0228  .0228  .0174  .0114      0      0
CaM2   1/3    2/3 .1634  .02 .0210  .0228  .0228  .0174  .0114      0      0
CeM2   1/3    2/3 .1634  .01 .0210  .0228  .0228  .0174  .0114      0      0
NaM3     0      0     0  .97 .0145  .0155  .0155  .0125  .0078      0      0
MnM3     0      0     0  .03 .0145  .0155  .0155  .0125  .0078      0      0
P      2/3    1/3 .2818      .0131  .0135  .0135  .0123  .0068      0      0
O1   .3703 .18515 .2039      .0392  .0235  .0453  .0415  .0117 -.0171 -.0085
O2     2/3    1/3 .4969      .0345   .044   .044   .015  .0222      0      0
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Olgite
Download hom/olgite.pdf
Sokolova E, Hawthorne F C, Khomyakov A P
Download cm/vol43/CM43_1521.pdf
The Canadian Mineralogist 43 (2005) 1521-1526
Refinement of the crystal structure and revision of the
chemical formula of olgite: (Ba,Sr) (Na,Sr,REE)2 Na [PO4]2
Locality: Lovozero alkaline massif, Kola Peninsula, Russia
Sample: III
_database_code_amcsd 0006064
5.5492 5.5492 7.0286 90 90 120 P-3m1
atom     x     y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
BaM1     0     0     .5 .88 .0405  .0535  .0535  .0145  .0268      0      0
SrM1     0     0     .5 .12 .0405  .0535  .0535  .0145  .0268      0      0
NaM2   1/3   2/3 .16315 .62 .0223  .0247  .0247  .0177  .0123      0      0
SrM2   1/3   2/3 .16315 .33 .0223  .0247  .0247  .0177  .0123      0      0
CeM2   1/3   2/3 .16315 .03 .0223  .0247  .0247  .0177  .0123      0      0
LaM2   1/3   2/3 .16315 .02 .0223  .0247  .0247  .0177  .0123      0      0
NaM3     0     0      0 .96 .0165   .017  .0173  .0149  .0087      0      0
CaM3     0     0      0 .04 .0165   .017  .0173  .0149  .0087      0      0
P      1/3   2/3  .7173     .0142  .0150  .0150  .0126  .0075      0      0
O1   .3706 .1853  .2048     .0428  .0255  .0499  .0448  .0127 -.0194 -.0097
O2     1/3   2/3  .5023     .0365   .047   .047   .016  .0234      0      0
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Polyphite
Download hom/polyphite.pdf
Sokolova E, Hawthorne F C, Khomyakov A P
Download cm/vol43/CM43_1527.pdf
The Canadian Mineralogist 43 (2005) 1527-1544
Polyphite and sobolevite: Revision of their crystal structures
Locality: Khibina-Lovozero alkaline complex, Kola peninsula, Russia
_database_code_amcsd 0006065
5.3933 7.0553 26.451 95.216 93.490 90.101 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)
Na1     .1808  .66982  .23045       .0270  .0367  .0170  .0280  .0003   .0054  .0040
Na2     .6214  .38767  .21296       .0225  .0311  .0171  .0185  .0036  -.0023 -.0002
Na3     .1324  .38779  .12660       .0195  .0218  .0213  .0152  .0001  -.0006  .0026
Na4    -.2427  .88253 -.00295       .0195  .0128  .0152  .0280  .0032  -.0070 -.0064
Na5     .6373  .91134  .19672       .0189  .0272  .0129  .0161 -.0021  -.0007 -.0009
CaA1   .22160 -.04447  .35026  .41  .0186  .0220  .0172  .0168 -.0008   .0023  .0018
NaA1   .22160 -.04447  .35026  .36  .0186  .0220  .0172  .0168 -.0008   .0023  .0018
MnA1   .22160 -.04447  .35026  .20  .0186  .0220  .0172  .0168 -.0008   .0023  .0018
SrA1   .22160 -.04447  .35026  .03  .0186  .0220  .0172  .0168 -.0008   .0023  .0018
NaA2   .67082  .17653  .31741  .55  .0110  .0104  .0135  .0090 -.0005   .0002  .0013
MnA2   .67082  .17653  .31741  .23  .0110  .0104  .0135  .0090 -.0005   .0002  .0013
MgA2   .67082  .17653  .31741  .17  .0110  .0104  .0135  .0090 -.0005   .0002  .0013
CaA2   .67082  .17653  .31741  .05  .0110  .0104  .0135  .0090 -.0005   .0002  .0013
NaA3   .77837  .76266  .54343  .66  .0149  .0189  .0139  .0118  .0028   .0016  .0003
CaA3   .77837  .76266  .54343  .21  .0149  .0189  .0139  .0118  .0028   .0016  .0003
MnA3   .77837  .76266  .54343  .13  .0149  .0189  .0139  .0118  .0028   .0016  .0003
NaA4   .73596  .46190  .41983  .55  .0142  .0221  .0111  .0088 -.0022  -.0025  .0002
CaA4   .73596  .46190  .41983  .35  .0142  .0221  .0111  .0088 -.0022  -.0025  .0002
MnA4   .73596  .46190  .41983  .10  .0142  .0221  .0111  .0088 -.0022  -.0025  .0002
NaA5   .21592  .43500  .34468  .80  .0170  .0198  .0151  .0166  .0023   .0025  .0034
CaA5   .21592  .43500  .34468  .20  .0170  .0198  .0151  .0166  .0023   .0025  .0034
NaA6    .7387  .98070  .42440  .82  .0198  .0260  .0169  .0170  .0003   .0009  .0039
CaA6    .7387  .98070  .42440  .18  .0198  .0260  .0169  .0170  .0003   .0009  .0039
TiM1   .13165 -.10753  .11831  .78 .00654 .00509 .00571 .00889 .00019  .00055 .00093
NbM1   .13165 -.10753  .11831  .19 .00654 .00509 .00571 .00889 .00019  .00055 .00093
ZrM1   .13165 -.10753  .11831  .03 .00654 .00509 .00571 .00889 .00019  .00055 .00093
TiM2   .22811  .61396  .00406  .63 .01124  .0161  .0095  .0080 .00279 -.00034 .00085
ZrM2   .22811  .61396  .00406 .155 .01124  .0161  .0095  .0080 .00279 -.00034 .00085
MgM2   .22811  .61396  .00406  .13 .01124  .0161  .0095  .0080 .00279 -.00034 .00085
Fe2+M2 .22811  .61396  .00406 .065 .01124  .0161  .0095  .0080 .00279 -.00034 .00085
MnM2   .22811  .61396  .00406  .02 .01124  .0161  .0095  .0080 .00279 -.00034 .00085
P1     .28000  .73333  .46176      .01095  .0128  .0103  .0098  .0001   .0008  .0012
P2     .12365  .15773  .23490      .01146  .0131  .0103  .0109  .0005   .0008  .0003
P3     .73298  .68636  .30796      .01209  .0131  .0129  .0102  .0010   .0002  .0012
Si1    .63422  .17405  .09611      .00993  .0132  .0077  .0089 -.0001   .0001  .0009
Si2    .62121  .60845  .10685      .00866  .0111  .0070  .0077  .0000  -.0002  .0004
O1      .1802   .5498  .43195       .0303  .0508  .0201  .0188 -.0157   .0006 -.0031
O2      .8826   .0831  .11853       .0458  .0570  .0507  .0249  .0439  -.0167 -.0105
O3      .3927   .0756  .11318       .0496  .0605  .0591  .0284 -.0496   .0185 -.0100
O4      .5823   .5958  .04495       .0139  .0207  .0133  .0074  .0002  -.0001  .0006
O5      .1789  -.0258  .20012       .0156  .0227  .0121  .0116  .0033  -.0003  .0002
O6      .6287   .6795  .25292       .0220  .0307  .0204  .0141 -.0008  -.0072  .0023
O7      .0186   .6935  .30991       .0228  .0144  .0273  .0272  .0007   .0004  .0064
O8      .6329   .1810  .03572       .0152  .0178  .0187  .0089 -.0000   .0005  .0007
O9      .0787   .4105  .03788       .0130  .0180  .0112  .0099 -.0001   .0012  .0018
O10     .6342   .3909  .12426       .0193  .0394  .0077  .0109  .0025   .0011  .0010
O11     .5663   .7295   .4638       .0261  .0138  .0341  .0318  .0017   .0012  .0101
O12     .1133  -.1768  .04920       .0169  .0157  .0242  .0104 -.0024   .0002  .0008
O13     .1887   .3376  .21064       .0228  .0413  .0114  .0158 -.0048   .0010  .0031
O14     .3845   .6985  .13465       .0234  .0236  .0336  .0125  .0171   .0007 -.0005
O15     .8744   .7061  .13204       .0251  .0260  .0368  .0121 -.0212   .0014  .0008
O16     .1892   .9058  .43481       .0259  .0384  .0200  .0208  .0122   .0030  .0091
O17     .2804   .1511  .28513       .0252  .0370  .0247  .0131  .0037  -.0049  .0014
O18     .1917   .7468  .51586       .0244  .0378  .0250  .0113  .0021   .0083  .0021
O19    -.1530   .1554  .24535       .0307  .0165  .0242  .0503 -.0002   .0097 -.0080
O20     .6514   .5081  .33222       .0309  .0313  .0343  .0300 -.0098  -.0012  .0199
O21     .6389   .8645  .33874       .0362  .0428  .0365  .0254  .0209  -.0045 -.0151
F1     -.0360   .2038  .37737       .0212  .0128  .0245  .0266  .0014   .0012  .0034
F2      .4706   .2107  .38948       .0177  .0135  .0202  .0191  .0000  -.0003  .0004
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Sobolevite
Download hom/sobolevite.pdf
Sokolova E, Hawthorne F C, Khomyakov A P
Download cm/vol43/CM43_1527.pdf
The Canadian Mineralogist 43 (2005) 1527-1544
Polyphite and sobolevite: Revision of their crystal structures
Locality: Khibina-Lovozero alkaline complex, Kola peninsula, Russia
_database_code_amcsd 0006066
7.0755 5.4106 40.623 90 93.156 90 Pc
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     -.1112  .3569 -.21275      .0133  .0111  .0140  .0146 -.0024  -.0019  .0047
Na2      .4107  .3090 -.07527      .0353  .0291   .044  .0332  .0099   .0024 -.0154
Na3     -.1408  .1952  .20108      .0284  .0205   .044  .0215 -.0033   .0057  .0198
Na4      .0227  .5150  .06698      .0220  .0107  .0156  .0404  .0004   .0085 -.0004
Na5      .6813  .8643 -.08480      .0192  .0183  .0272  .0118 -.0007  -.0024  .0040
Na6      .3256  .1764  .19063      .0190  .0134  .0325  .0112 -.0038   .0022  .0037
Na7      .5909  .6472  .21383      .0376  .0148   .048   .050 -.0029   .0007 -.0177
Na8      .8201  .6544  .14646      .0154  .0128  .0167  .0164 -.0023  -.0038 -.0013
Na9     -.0613  .3318 -.06369      .0190  .0161  .0171  .0243  .0008   .0050  .0035
Na10     .4527  .8461 -.01722      .0239  .0345  .0221  .0155 -.0008   .0054  .0050
Na11     .3834  .8641 -.15845      .0205  .0161  .0259  .0197 -.0006   .0032  .0034
Na12     .2575  .0006  .06354      .0204  .0295  .0120  .0208  .0076   .0111  .0097
NaA1     .3720  .3620 -.20778  .77 .0144  .0161  .0268  .0000 -.0019  -.0028 -.0013
CaA1     .3720  .3620 -.20778  .20 .0144  .0161  .0268  .0000 -.0019  -.0028 -.0013
SrA1     .3720  .3620 -.20778  .03 .0144  .0161  .0268  .0000 -.0019  -.0028 -.0013
NaA2     .1332 -.1806 -.23131  .39 .0154  .0133  .0168  .0169 -.0010   .0080 -.0028
MnA2     .1332 -.1806 -.23131  .28 .0154  .0133  .0168  .0169 -.0010   .0080 -.0028
CaA2     .1332 -.1806 -.23131  .16 .0154  .0133  .0168  .0169 -.0010   .0080 -.0028
NaA3     .1403  .3293 -.14189  .46 .0215  .0247  .0233  .0158 -.0024  -.0045 -.0014
CaA3     .1403  .3293 -.14189  .27 .0215  .0247  .0233  .0158 -.0024  -.0045 -.0014
MnA3     .1403  .3293 -.14189  .27 .0215  .0247  .0233  .0158 -.0024  -.0045 -.0014
TiM1    .30679 .65537  .14054  .75 .0090  .0079  .0064  .0127 -.0032   .0002 -.0023
NbM1    .30679 .65537  .14054 .135 .0090  .0079  .0064  .0127 -.0032   .0002 -.0023
Fe3+M1  .30679 .65537  .14054  .05 .0090  .0079  .0064  .0127 -.0032   .0002 -.0023
ZrM1    .30679 .65537  .14054 .045 .0090  .0079  .0064  .0127 -.0032   .0002 -.0023
MgM1    .30679 .65537  .14054  .02 .0090  .0079  .0064  .0127 -.0032   .0002 -.0023
TiM2   -.03714 .84831 -.01221  .80 .0051  .0061  .0038  .0056  .0034   .0013  .0011
NbM2   -.03714 .84831 -.01221  .13 .0051  .0061  .0038  .0056  .0034   .0013  .0011
Fe3+M2 -.03714 .84831 -.01221  .05 .0051  .0061  .0038  .0056  .0034   .0013  .0011
MgM2   -.03714 .84831 -.01221  .02 .0051  .0061  .0038  .0056  .0034   .0013  .0011
TiM3    .52398  .5229  .06679  .40 .0131  .0150  .0167  .0078  .0030   .0013  .0019
MnM3    .52398  .5229  .06679 .245 .0131  .0150  .0167  .0078  .0030   .0013  .0019
MgM3    .52398  .5229  .06679  .21 .0131  .0150  .0167  .0078  .0030   .0013  .0019
NbM3    .52398  .5229  .06679  .10 .0131  .0150  .0167  .0078  .0030   .0013  .0019
ZrM3    .52398  .5229  .06679 .045 .0131  .0150  .0167  .0078  .0030   .0013  .0019
TiM4   -.25318  .9826  .06153  .47 .0149  .0083  .0238  .0126  .0040   .0004  .0005
MnM4   -.25318  .9826  .06153 .225 .0149  .0083  .0238  .0126  .0040   .0004  .0005
MgM4   -.25318  .9826  .06153  .16 .0149  .0083  .0238  .0126  .0040   .0004  .0005
NbM4   -.25318  .9826  .06153 .145 .0149  .0083  .0238  .0126  .0040   .0004  .0005
Ca     -.10012 -.1402 -.16378      .0167  .0112  .0158  .0234 -.0013   .0050 -.0034
P1       .1053  .7026  .21542      .0140  .0162  .0190  .0075 -.0005   .0054  .0017
P2       .1661  .8018 -.08850      .0125  .0071  .0152  .0148  .0006  -.0020 -.0012
P3      -.3834  .1110  .26344      .0185  .0152  .0216  .0193 -.0047   .0065 -.0007
P4       .6556  .3876 -.13664      .0092  .0114  .0110  .0047  .0047  -.0042  .0018
Si1      .0150  .1477  .12600      .0088  .0062  .0064  .0133  .0017  -.0037  .0029
Si2     -.3133  .3426 -.00553      .0091  .0029  .0129  .0112  .0045  -.0015 -.0013
Si3      .5846  .1624  .13313      .0120  .0169  .0091  .0102 -.0042   .0033  .0024
Si4      .2574  .3607  .00121      .0121  .0129  .0148  .0090 -.0033   .0049 -.0024
O1       .3415  .6553  .09629      .0252   .034   .018   .024   .001    .001 -.0041
O2       .5262  .8184  .03928   .5 .0121   .011   .025  .0000  .0024   .0010 -.0043
F2       .5262  .8184  .03928   .5 .0121   .011   .025  .0000  .0024   .0010 -.0043
O3       .5160  .4078  .15191      .0179   .023   .011   .020  .0042  -.0029 -.0110
O4      .15912 .52131 -.09211      .0351   .041   .007   .058   .003    .011  -.010
O5       .6809  .2961 -.09997      .0165   .012   .038  .0000 -.0077  -.0042  .0148
O6       .4948  .9219  .14830      .0225   .028   .024   .015  -.014  -.0068 -.0007
O7       .6624  .6698 -.13496      .0256   .038   .016   .022  -.014    .001 -.0082
O8       .4622  .3099 -.15261      .0267   .011   .031   .037 -.0109   -.009   .001
O9       .1137  .9077  .14060      .0277   .036   .038  .0094   .025   .0012   .013
O10      .3625  .8832 -.07250      .0208   .018   .035   .009  -.006   .0007  -.001
O11      .7112  .3219  .03483      .0152   .031   .012  .0026 -.0016   .0047 -.0018
O12      .5642  .1773  .09333      .0194  .0057   .035   .017  .0016  -.0011   .007
O13     -.0306  .1285  .08699      .0147  .0109   .022   .012  .0069   .0085 -.0066
O14      .0025  .8718 -.06568      .0111  .0015   .022  .0099  .0048  -.0015  .0050
O15      .4583  .3425 -.01683      .0171  .0000   .034   .018  .0023   .0032 -.0048
O16     -.1887  .1441  .14434      .0185   .020   .025   .010 -.0031  -.0039  .0019
O17      .1439  .5665  .24806      .0285   .032   .036   .018   .003    .009  -.005
O18      .1328  .9289 -.12219      .0204   .014   .035   .012  -.001  -.0024   .011
O19     -.5478  .2160  .28499      .0274   .036   .035   .013   .009   .0143  -.004
O20      .1413  .1223 -.01050      .0277   .039   .017   .028  -.005    .005  -.006
O21      .1163  .4017  .13761      .0340   .029   .035   .039  -.033    .011  -.016
O22      .8112  .2993 -.15579       .047   .033   .068   .040   .035    .009   .005
O23      .7483  .6789  .08908   .5 .0191   .017   .016   .024 -.0018  -.0000 -.0016
F23      .7483  .6789  .08908   .5 .0191   .017   .016   .024 -.0018  -.0000 -.0016
O24     -.2339  .0962 -.02273      .0185   .021   .022   .013  .0117   .0053  .0092
O25     -.2344  .5879 -.02360      .0149   .024  .0122  .0094 -.0082   .0075  .0024
O26     -.4078  .1962  .22924      .0360   .037   .030   .042   .008    .003  -.004
O27      .2867  .3709  .04073      .0201   .029   .017   .013 -.0073  -.0082  .0069
O28     -.1952  .2096  .27935      .0308   .044   .028   .019   .002   -.012   .005
O29      .1513  .6080 -.01325      .0309   .021   .022   .050   .018    .012   .012
O30      .1089  .9843  .22244      .0226   .022   .020   .027 -.0023    .017  .0035
O31     -.0822  .6267  .20039      .0217  .0051   .037   .023 -.0043  -.0013   .004
O32      .2749  .6371  .19382      .0252   .027   .027   .022   .002    .008  -.004
O33     -.0630  .8481  .03138      .0146   .024   .016  .0037 -.0070   .0018  .0023
O34     -.3879  .8252  .26630      .0197   .020   .011   .028  .0049  -.0034  .0101
F1       .1321  .1001 -.19090      .0288   .034   .015   .038 -.0014    .013   .002
F2       .1353  .6007 -.18266      .0140  .0129  .0116  .0173  .0002  -.0006  .0002
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Paraershovite
 
Khomyakov A P, Camara F, Sokolova E, Abdu Y, Hawthorne F C
 
The Canadian Mineralogist 48 (2010) 279-290
Paraershovite, Na3K3Fe3+2(Si4O10OH)2(OH)2(H2O)4, a new mineral species from the
Khibina Alkaline massif, Kola Peninsula, Russia: Description and crystal structure
Locality: the Khibina Alkaline massif, Kola Peninsula, Russia
_database_code_amcsd 0006330
10.1978 12.0155 5.2263 103.439 96.020 91.683 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)
K(1)   .56870 .13502  .8203 .96  .0285  .0437  .0226  .0181 -.0025  .0014  .0041
K(2)       .5     .5     .5      .0339  .0355  .0427  .0279  .0247  .0082  .0125
Na(1)   .9757  .8611  .4609 .81  .0318   .024   .023   .045 -.0001 -.0027  .0043
Na(2)   .9901  .7410  .8855 .41   .031   .027   .035   .034   .009   .016   .011
Fe2+M  .00552 .42473 .70056 .87  .0118  .0085  .0140  .0119  .0019  .0001  .0012
Mn2+M  .00552 .42473 .70056 .68  .0118  .0085  .0140  .0119  .0019  .0001  .0012
TiM    .00552 .42473 .70056 .38  .0118  .0085  .0140  .0119  .0019  .0001  .0012
MgM    .00552 .42473 .70056 .07  .0118  .0085  .0140  .0119  .0019  .0001  .0012
Si(1)  .73752 .28343  .4291      .0122  .0103  .0144  .0118  .0014  .0021  .0024
Si(2)  .71648 .67365  .1360      .0133  .0099  .0152  .0148  .0032  .0017  .0033
Si(3)  .73373 .41941  .9938      .0116  .0088  .0137  .0117  .0014  .0017  .0016
Si(4)  .67806 .81252  .7010      .0172  .0191  .0167  .0157  .0035  .0034  .0027
O(1)    .6735  .3522  .6954      .0159   .009   .023   .015  .0022  .0024   .004
O(2)    .8952  .2965  .4822      .0166   .011   .021   .016  .0020  .0014  .0016
O(3)    .6525  .7284  .8982      .0241   .018   .034   .023   .005   .001   .013
O(4)    .8735  .6832  .1747      .0176   .010   .021   .022  .0018  .0008   .006
O(5)    .8919  .4392  .0176      .0134   .009   .021   .010 -.0005  .0011  .0021
O(6)    .8233  .8724  .7639      .0334   .019   .037   .039  -.003   .003  -.001
O(7)    .6602  .5397  .0558      .0193   .011   .017   .029  .0033  .0024   .003
O(8)    .6503  .7323  .4004      .0228   .018   .029   .018   .004   .004  -.001
O(9)    .6832  .3468  .1941      .0179   .012   .027   .014  .0015  .0006   .006
O(10)   .6773  .1541  .3523      .0202   .017   .019   .023  -.001   .003   .002
O(11)   .5653  .9052  .7303      .0238   .020   .019   .031   .003   .002   .002
O(12)   .8933  .5458  .5733      .0171   .015   .019   .017  .0053  .0033   .002
O(13)   .8581  .9925  .2831       .066   .057   .040   .083   .020  -.026  -.012
O(14A)   .889   .156   .904  .5   .051   .040   .058   .059   .005   .012   .018
O(14B)   .856   .113   .822  .5   .051   .040   .058   .059   .005   .012   .018
H(1)     .481   .875   .692     .03566
H(2)     .882   .603   .714     .02569
H(3)     .847   .953   .111     .09960
H(4)     .789   .038    .31     .09960
H(5)     .969   .179    .01  .5 .07653
H(6)      .86   .079    .91  .5 .07653
H(7)     .786    .13   .664  .5 .07653
H(8)     .799    .13    .98  .5 .07653
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Carbobystrite
 
Khomyakov A P, Camara F, Sokolova E
 
The Canadian Mineralogist 48 (2010) 291-300
Carbobystrite, Na8[Al6Si6O24](CO3)*4H2O, a new cancrinite-group mineral species
from the Khibina Alkaline massif, Kola Peninsula, Russia: Description and crystal structure
Locality: the Khibina Alkaline massif, Kola Peninsula, Russia
_database_code_amcsd 0006331
12.6678 12.6678 10.3401 90 90 120 P31c
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      0 -.0505      .030   .021   .021   .047   .011      0      0
Na2   .0941  .5484  .0646      .021   .021   .021   .020   .010   .002   .001
Na3   .3822  .1920  .7808 .977 .024   .035   .022   .019   .018   .008   .004
Na4     2/3    1/3  .1343  .63 .033   .024   .024   .050   .012      0      0
K4      2/3    1/3  .1216  .36 .020   .021   .021   .019   .010      0      0
Si1   .2510  .2517  .0190      .007   .008   .007   .007   .004   .000   .000
Al1   .6745  .0872  .2702      .008   .008   .009   .008   .005   .000   .000
Si2   .0805  .4192  .7688      .008   .009   .007   .007   .004   .000   .000
Al2   .2550 -.0007  .0182      .008   .008   .007   .008   .004   .000  -.001
O1    .3773  .0305  .4153      .013   .011   .019   .008   .007   .002   .002
O2    .2684  .1388 -.0249      .013   .016   .010   .015   .008   .001   .000
O3    .7081 -.0014  .1674      .013   .017   .016   .010   .010   .001  -.001
O4    .6641  .0317  .4273      .014   .018   .020   .010   .014  -.001   .002
O5    .2096  .1084  .5037      .014   .017   .009   .018   .008  -.005  -.004
O6    .0597  .5304  .7264      .012   .017   .009   .012   .009  -.001   .000
O7    .2235  .4648  .7558      .016   .011   .017   .023   .008   .000   .000
O8    .0027  .3072  .1744      .012   .014   .016   .009   .009   .000  -.003
C       1/3    2/3  .1588      .018   .014   .014   .024   .007      0      0
O9    .4481  .7248  .1465      .055   .017   .025   .121   .009  -.014  -.006
Wat10 .7979  .4424 -.0759  .35 .057   .035   .039   .076   .003  -.028  -.003
Wat11 .5594  .2052 -.0716  .47 .065   .047   .044   .087   .010   .017   .017
Wat12 .0230 -.0207 -.2717  .34 .063   .091   .060   .038   .036  -.009  -.016
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Burpalite
Download hom/burpalite.pdf
Merlino S, Perchiazzi N, Khomyakov A P, Pushcharovsky D Y, Kulikova I M, Kuzmin V I
 
European Journal of Mineralogy 2 (1990) 177-185
Burpalite, a new mineral from Burpalinskii massif, North Transbajkal, USSR:
its crystal structure and OD character
Locality: Burpalinskii massif, North Transbajkal, USSR
_database_code_amcsd 0006380
10.1173 10.4446 7.2555 90 90.039 90 P2_1/a
atom     x      y      z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1  .3769 -.0743 -.1231 1.57  .0161  .0216  .0219 -.0073 -.0002  .0043
Na2  .3744 -.0708  .3759 1.39  .0171  .0204  .0152  .0003  .0001 -.0032
Ca   .1052 -.1999  .1260 1.29  .0178  .0155  .0156 -.0052  .0006  .0001
Zr   .1070 -.1997  .6247 1.21  .0148  .0170  .0141  .0014 -.0007 -.0002
Si1  .1671  .1204 -.3479 1.07  .0124  .0106  .0177  .0013 -.0008  .0001
Si2  .1702  .1215  .0995 1.04  .0093  .0113  .0189 -.0015 -.0002  .0005
O1   .1681  .1468 -.1206 3.23  .0639  .0498  .0091  .0131  .0038  .0004
O2   .2658  .2316  .5830 1.90  .0180  .0158  .0385 -.0056  .0086 -.0052
O3   .2660  .2391  .1652 2.24  .0204  .0242  .0405 -.0035 -.0010 -.0117
O4   .0189  .1499  .5909 2.25  .0175  .0212  .0469  .0022  .0025  .0009
O5   .0171  .1469  .1584 2.49  .0132  .0363  .0449  .0055  .0011 -.0032
O6   .2148 -.0261  .6158 1.43  .0188  .0174  .0183  .0037  .0050 -.0040
O7   .2243 -.0173  .1381 1.98  .0313  .0090  .0351  .0048 -.0071  .0017
F1   .4894  .1110 -.1272 2.08  .0304  .0180  .0306  .0038 -.0005 -.0021
F2   .4837  .1203  .3745 1.72  .0172  .0132  .0351  .0061  .0006  .0003
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Altisite
 
Ferraris G, Ivaldi G, Khomyakov A P
 
European Journal of Mineralogy 7 (1995) 537-546
Altisite Na3K6Ti2[Al2Si8O26]Cl3 a new hyperalkaline
aluminosilicate from Kola Peninsula (Russia) related to
lemoynite: crystal structure and thermal evolution
Sample: RT, T = 20 C, before heating
Locality: Kola Peninsula, Russia
_database_code_amcsd 0006594
10.363 16.310 9.132 90 105.34 90 C2/m
atom      x      y      z  occ  Uiso
K1   .20736 .14143 .10725  .95 .0176
Na1  .20736 .14143 .10725  .05 .0176
K2    .0992  .0081  .3636 .425  .036
Na2   .0992  .0081  .3636 .075  .036
Na1       0 .38349    1/2      .0143
Na2       0    1/2      0      .0329
Ti      1/4    1/4    1/2      .0046
Si1  .72539 .09782 .26426      .0059
Si2  .94853 .21292 .27675      .0063
Al        0 .31610      0      .0069
O1    .8755 .12217  .2527      .0115
O2    .6906 .14466  .4031      .0107
O3    .6219 .11684  .1022      .0122
O4    .7308      0  .2970      .0120
O5    .8684 .26948  .3691      .0087
O6    .9285 .25297  .1096      .0125
O7    .1045 .19446  .3543      .0117
Cl1       0      0      0      .0209
Cl2  .11781    1/2 .72409      .0206
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Altisite
 
Ferraris G, Ivaldi G, Khomyakov A P
 
European Journal of Mineralogy 7 (1995) 537-546
Altisite Na3K6Ti2[Al2Si8O26]Cl3 a new hyperalkaline
aluminosilicate from Kola Peninsula (Russia) related to
lemoynite: crystal structure and thermal evolution
Sample: HT, T = 700 C
Locality: Kola Peninsula, Russia
_database_code_amcsd 0006595
10.423 16.333 9.160 90 105.62 90 C2/m
atom      x      y      z  occ  Uiso
K1    .2052 .14147  .1066  .95 .0563
Na1   .2052 .14147  .1066  .05 .0563
K2    .1028  .0151  .3665 .425  .086
Na2   .1028  .0151  .3665 .075  .086
Na1       0  .3847    1/2      .0465
Na2       0    1/2      0       .081
Ti      1/4    1/4    1/2      .0148
Si1  .72627 .09803 .26440      .0164
Si2  .94619 .21412 .27537      .0173
Al        0 .31552      0      .0191
O1    .8749  .1234  .2520      .0292
O2    .6946  .1428  .4065      .0303
O3    .6209  .1183  .1052      .0343
O4    .7319      0  .2918       .032
O5    .8649  .2703  .3657      .0260
O6    .9276  .2530  .1086      .0355
O7    .1013  .1972  .3549      .0341
Cl1       0      0      0       .078
Cl2   .1212    1/2  .7282      .0694
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Altisite
 
Ferraris G, Ivaldi G, Khomyakov A P
 
European Journal of Mineralogy 7 (1995) 537-546
Altisite Na3K6Ti2[Al2Si8O26]Cl3 a new hyperalkaline
aluminosilicate from Kola Peninsula (Russia) related to
lemoynite: crystal structure and thermal evolution
Sample: RT', T = 20 C, after heating
Locality: Kola Peninsula, Russia
_database_code_amcsd 0006596
10.337 16.257 9.099 90 105.49 90 C2/m
atom      x      y      z  occ  Uiso
K1   .20868 .14134 .10698  .95 .0206
Na1  .20868 .14134 .10698  .05 .0206
K2    .1006 -.0090  .3605 .425  .034
Na2   .1006 -.0090  .3605 .075  .034
Na1       0 .38382    1/2      .0132
Na2       0    1/2      0      .0292
Ti      1/4    1/4    1/2      .0039
Si1  .72500 .09780 .26499      .0056
Si2  .94867 .21186 .27612      .0063
Al        0 .31469      0      .0071
O1    .8764 .12060  .2555      .0108
O2    .6896  .1447  .4040      .0110
O3    .6221  .1180  .1023      .0128
O4    .7276      0  .2974      .0118
O5    .8693 .26881  .3692      .0090
O6    .9258  .2515  .1077      .0138
O7    .1055  .1939  .3517      .0127
Cl1       0      0      0      .0305
Cl2  .12081    1/2  .7278      .0230
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Nafertisite
 
Ferraris G, Ivaldi G, Khomyakov A P, Soboleva S V, Belluso E, Pavese A
 
European Journal of Mineralogy 8 (1996) 241-249
Nafertisite, a layer titanosilicate member of a polysomatic series including mica
_database_code_amcsd 0006619
5.353 16.176 21.95 90 94.6 90 A2/m
atom     x     y      z occ Uiso
Na1    1/2     0      0      .05
Na2      0 -.154      0  .5  .02
Na2'     0 -.279      0  .5  .02
Fe1   .242 .3994 -.2649  .8 .010
Fe2   .257 .8001 -.2453  .8 .016
Fe3   .258     0 -.2319  .8 .012
Ti   -.036     0 -.0980     .005
Si1   .444 -.122  -.117     .073
Si2   .434  .312  -.133     .042
Si3  -.064  .408  -.136     .030
O1    .387  .301  -.206      .02
OH2   .390   1/2  -.223      .03
O3    .411 -.104  -.186      .01
O4   -.109  .404  -.207      .05
OH5   .104  .295  -.305      .02
O6    .075   1/2  -.328      .02
O7    .215  .362  -.109      .02
O8    .725 -.089  -.081      .01
O9    .247  .082  -.079      .06
O10   .455  .222  -.100      .01
O11   .752  .360  -.105      .05
O12  -.073   1/2  -.105      .03
O13      0     0      0      .00
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Kalifersite
 
Ferraris G, Khomyakov A P, Belluso E, Soboleva S V
 
European Journal of Mineralogy 10 (1998) 865-874
Kalifersite, a new alkaline silicate from Kola Peninsula (Russia)
based on a palygorskite-sepiolite polysomatic series
Locality: Kola Peninsula, Russia
_database_code_amcsd 0006753
14.86 20.54 5.29 95.6 92.3 94.4 P-1
atom     x    y     z occ
K1    .519 .108  .069 .72
Na1   .519 .108  .069 .28
K2     .01 .274 -.004 .72
Na2    .01 .274 -.004 .28
K3       0  1/2   1/2 .72
Na3      0  1/2   1/2 .28
Fe1      0    0     0 .55
Mn1      0    0     0 .08
Mg1      0    0     0 .07
Ca1      0    0     0 .02
Fe2      0 .077  .507 .55
Mn2      0 .077  .507 .08
Mg2      0 .077  .507 .07
Ca2      0 .077  .507 .02
Fe3   .508 .318  .175 .55
Mn3   .508 .318  .175 .08
Mg3   .508 .318  .175 .07
Ca3   .508 .318  .175 .02
Fe4   .506 .389  .702 .55
Mn4   .506 .389  .702 .08
Mg4   .506 .389  .702 .07
Ca4   .506 .389  .702 .02
Fe5   .501 .463  .234 .55
Mn5   .501 .463  .234 .08
Mg5   .501 .463  .234 .07
Ca5   .501 .463  .234 .02
Si1   .181 .068  .834
Si2   .176 .122  .334
Si3   .319 .306  .816
Si4   .315 .448  .876
Si5   .319 .235  .274
Si6   .311 .525  .415
Si7     .3  .67  .472
Si8   .293 .742 -.003
Si9   .191 .932  .796
Si10  .192 .866  .268
O1    .074 .078  .843
OH2    .08 .004   .34
OH2   .075 .147  .283
O4    .428 .312  .833
O5    .424 .456  .889
O6    .427 .234  .253
O7    .423 .383  .361  .5
OH7   .423 .383  .361  .5
O8     .42 .531  .424
O9    .413 .602 -.048  .5
OH9   .413 .602 -.048  .5
O10   .411 .677  .483
O11   .403 .748  .982
O12   .082 .932  .816
O13   .081 .858  .274
O14   .208 .001  .673
O15   .207 .121  .635
O16   .195 .059  .136
O17    .26 .165  .225
O18   .274 .273   .05
O19   .285 .266  .546
O20    .27 .373  .839
O21   .279 .474  .615
O22   .287 .483  .144
O23   .265 .593   .48
O24   .259 .716  .704
O25   .267 .686  .189
O26   .245 .805  .132
O27   .216 .926  .095
O28   .219 .877  .574
Wat29 .351 .013  .999
Wat30 .613 .107  .579
Wat31  .13 .414  .179
Wat32 .891 .381  .755
Wat33  .06 .293    .5
Wat34 .147 .523  .902
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Phlogopite-2O
 
Ferraris G, Gula A, Ivaldi G, Nespolo M, Sokolova E, Uvarova Y, Khomyakov A P
 
European Journal of Mineralogy 13 (2001) 1013-1023
First structure determination of an MDO-2O mica polytype associated with a 1M polytype
_database_code_amcsd 0006910
5.2781 9.141 20.124 90 90 90 Ccmm
atom      x      y      z occ  Uiso
K     .6662      0    1/4 .97 .0326
Na    .6662      0    1/4 .03 .0326
MgM1      0      0      0 .68 .0105
FeM1      0      0      0 .11 .0105
LiM1      0      0      0 .21 .0105
MgM2      0 .66627      0 .66 .0106
FeM2      0 .66627      0 .11 .0106
LiM2      0 .66627      0 .23 .0106
SiT  .16620 .16668 .13564 .85 .0086
AlT  .16620 .16668 .13564 .15 .0086
O1    .1550      0 .16637     .0181
O2    .4215  .2448 .16636     .0182
O3    .1660  .1667 .05551     .0115
Oh    .6681      0 .05185  .6 .0131
F     .6681      0 .05185  .4 .0131
H      .655      0   .088  .6 .0300
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Fluorophlogopite-1M
 
Ferraris G, Gula A, Ivaldi G, Nespolo M, Sokolova E, Uvarova Y, Khomyakov A P
 
European Journal of Mineralogy 13 (2001) 1013-1023
First structure determination of an MDO-2O mica polytype associated with a 1M polytype
_database_code_amcsd 0006911
5.305 9.199 10.232 90 100.03 90 C2/m
atom     x      y      z occ  Uiso
K        0    1/2      0 .97 .0366
Na       0    1/2      0 .03 .0366
MgM1     0      0    1/2 .72 .0106
FeM1     0      0    1/2 .12 .0106
LiM1     0      0    1/2 .16 .0106
MgM2     0  .3337    1/2 .71 .0123
FeM2     0  .3337    1/2 .11 .0123
LiM2     0  .3337    1/2 .18 .0123
SiT  .0762 .16676 .22871 .85 .0085
AlT  .0762 .16676 .22871 .15 .0085
O1   .0419      0  .1676     .0198
O2   .3127  .2432  .1675     .0196
O3   .1298  .1670  .3895     .0109
Oh   .1330    1/2  .3968  .4 .0137
F    .1330    1/2  .3968  .6 .0137
H     .112    1/2   .301  .4 .0300
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Ershovite
Download hom/ershovite.pdf
Rastsvetaeva R K, Rekhlova O Y, Khomyakov A P
 
Crystallography Reports 36 (1991) 500-503
Crystal structure of a new natural Na,K,Fe silicate
Locality: Khibiny massif, Kola peninsula, Russia
_database_code_amcsd 0012339
10.244 11.924 5.276 103.491 96.960 91.945 P-1
atom      x     y     z occ Biso
K1    .5505 .1366 .8268     1.91
K2       .5    .5    .5     3.04
Na1   .9705 .8648 .4696     1.86
Na2   .9955 .7343 .8831     2.30
Fe2+M .0035 .4252 .7039 .45 1.48
MnM   .0035 .4252 .7039 .35 1.48
TiM   .0035 .4252 .7039 .20 1.48
Si1   .7348 .2783 .4224     1.16
Si2   .7163 .6726 .1325     1.16
Si3   .7343 .4144 .9886     1.12
Si4   .6835 .8086 .6982     1.22
O1    .6745 .3528 .6855      1.5
O2    .8913 .2868 .4723      1.5
O3    .6489 .7230 .8897      1.7
O4    .8715 .6898 .1759      1.6
O5    .8910 .4320 .0192      1.5
O6    .8293 .8636 .7716      1.8
O7    .6637 .5360 .0563      1.6
O8    .6498 .7308 .3928      1.6
O9    .6812 .3386 .1795      1.4
O10   .6707 .1491 .3595      1.7
O11   .5740 .9053 .7290      1.7
O12   .8924 .5486 .5781      2.1
O13   .8624 .9923 .2607      2.7
O14   .8518 .1133 .8154      2.8
H1      .86   .94   .14      1.2
H2      .50   .87   .68      2.9
H3      .81   .04   .26      2.6
H4      .85   .03   .80      3.4
H5      .81   .12   .66      2.2
H6      .83   .55   .52      4.3
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Olympite
Download hom/olympite.pdf
Rastsvetaeva R K, Khomyakov A P
 
Crystallography Reports 39 (1994) 35-41
A comparative crystal-chemical study of the lithium-sodium phosphates
(lithiophosphate, nalipoite, olympite, and Na3PO4)
Locality: Khibini alkaline massif, Kola Peninsula, Russia
Note: O5(y) made negative to match reported bond distances
_database_code_amcsd 0012344
10.124 14.794 10.132 90 90 90 P2_12_12_1
atom      x      y      z Biso
Li1   .4971  .3889  .2333   .9
Li2   .0036  .3897  .7464  1.1
Na1   .2563  .1444  .0072  1.0
Na2   .4851  .3633  .7412  1.1
Na3   .2279  .3864  .4959  1.3
Na4   .2771  .3868 -.0010  1.3
Na5   .2207  .2474  .7488  1.2
Na6   .2415  .1442  .5069  1.3
Na7   .0651  .0003  .0167  1.4
Na8   .2777  .2489  .2480  2.0
Na9   .5141  .4982  .4631  2.2
Na10  .0148  .3638  .2399  1.6
P1    .5054  .2511  .0013  .68
P2   -.0059  .2501  .5023  .58
P3    .2746  .4996  .7476  .61
P4    .2480 -.0007  .2707  .57
O1    .1317  .2795  .0703   .7
O2    .4718  .1558  .4346  1.0
O3    .4575  .1838  .1073  1.0
O4    .3932  .2606  .9002   .6
O5    .4001 -.0011  .2536   .9
O6    .3751  .4994  .8621  1.1
O7    .1040  .2612  .3975  1.6
O8    .1937  .0885  .2108  1.0
O9    .1917  .4134  .7535  1.1
O10   .2154 -.0011  .4201  1.0
O11   .3125  .4150  .2608  1.5
O12   .3139  .0819  .7039  1.5
O13   .1486  .5019  .1164  1.3
O14   .0378  .1608  .9272  1.8
O15   .0356  .1782  .6038  1.8
O16   .3696  .2804  .5683  1.6
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Intersilite
 
Yamnova N A, Egorov-Tismenko Y K, Khomyakov A P
 
Crystallography Reports 41 (1996) 239-244
Crystal structure of a new natural (Na,Mn,Ti)-phyllosilicate
Locality: Aluaiv, Lovozero alkaline massif, Kola peninsula, Russia
_database_code_amcsd 0012349
13.033 18.717 12.264 90 99.62 90 I2/m
atom      x     y     z occ Biso
Mn       .5 .5859     0 .94 1.02
Fe       .5 .5859     0 .04 1.02
Ca       .5 .5859     0 .02 1.02
Ti        0 .0842     0 .75 2.21
Nb        0 .0842     0 .25 2.21
Si1   .2299 .0818 .1436      .72
Si2   .6973 .4179 .2005      .52
Si3   .7188 .6853 .0202      .62
Si4   .1745 .3084 .1869     1.73
Si5   .7929 .1602 .0741      .66
Na1       0 .2581     0      2.8
Na2   .0309 .1695 .2567      1.6
Na3   .9745     0 .7478      1.4
Na4      .5 .2283     0      4.0
Na5   .6929     0 .5554 .25  6.3
K5    .6929     0 .5554 .25  6.3
Na6   .6253     0 .0634 .55  4.3
K6    .6253     0 .0634 .20  4.3
OH1   .9292     0 .0631      1.9
O2    .2744     0 .1452      1.4
Wat3   .913     0  .542      3.3
O4    .1086 .0866 .1441      1.3
O5    .5733 .4106 .1640       .9
O6    .3975 .3306 .0367      1.8
O7    .9163 .1641 .0723      1.4
O8    .2663 .1199 .0379      1.4
Wat9   .554 .2049  .188      7.4
O10   .7626 .1135 .1761      1.2
O11   .1953 .3165 .0612      1.6
O12   .2403     0 .7035       .8
O13       0  .400     0     10.0
O14   .2974 .1150 .2530      2.2
O15   .7593 .3746 .1159      1.0
O16   .7319 .2354 .0794      1.6
O17     .75   .25   .75      8.5
OH18  .0565 .2943 .1823      6.7
Wat19    .5 .1028     0      9.9
Wat20  .582     0  .688      5.9
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Deloneite
 
Rastsvetaeva R K, Khomyakov A P
 
Crystallography Reports 41 (1996) 789-792
Structural features of a new naturally occurring representative
of the fluorapatite-deloneite series
Locality: Khibini alkaline massif, Kola Peninsula, Russia
_database_code_amcsd 0012350
9.485 9.485 7.000 90 90 120 P6_3
atom     x     y      z occ Biso
CaA1   1/3   2/3 -.0042  .2  .85
SrA1   1/3   2/3 -.0042  .5  .85
NaA1   1/3   2/3 -.0042  .3  .85
CaA2   1/3   2/3  .4987      .90
CaA3 .0128 .2519  .2496  .7  .69
SrA3 .0128 .2519  .2496  .2  .69
CeA3 .0128 .2519  .2496  .1  .69
P    .6305 .0290  .2448      .44
O1    .324  .254   .420      1.7
O2    .156  .671   .244      1.3
O3    .536  .121   .263      1.2
O4    .355  .263   .068      1.0
F        0     0   .276 2/3  2.8
OH       0     0   .276 1/3  2.8
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Labuntsovite-Mn
 
Rastsvetaeva R K, Chukanov N V, Pekov I V, Shlyukova Z V, Khomyakov A P
 
Crystallography Reports 43 (1998) 820-827
Structures of two potassium-rich labuntsovites in relation to the crystal chemistry
of minerals of the labuntsovite-nenadkevichite family
Sample: I
_database_code_amcsd 0012358
14.42 13.91 7.8 90 116.9 90 C2/m
atom        x     y     z occ Biso
NaAI    .4084 .2640 .0051  .5  4.6
KAII    .4175     0 .7010  .9  5.6
TiMI1     .25   .25    .5  .8 2.07
NbMI1     .25   .25    .5  .2 2.07
TiMI2       0 .2257    .5  .8 1.91
NbMI2       0 .2257    .5  .2 1.91
MnMII       0     0    .5  .2  2.1
Si1     .3213 .1106 .2503     1.19
Si2     .2074 .1096 .8011     1.16
O1      .0834 .1220 .6799      1.7
O2      .2735 .1805 .7365      1.5
O3      .2648 .1279 .3837      1.6
O4      .3643     0 .2775      1.7
O5      .2404     0 .7757      1.7
O6      .4214 .1782 .3052      1.8
O7      .2371 .1262 .0262      1.9
OH      .0999 .2252 .3958      1.7
KAIII   .0862     0 .3396  .8  3.3
WatAIII .0862     0 .3396  .2  3.3
Ow1        .5 .1445     0      9.5
Ow2         0 .1239     0      9.6
H1       .481  .118   .89        1
H2       .049  .133   .10        5
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Labuntsovite-Fe
 
Rastsvetaeva R K, Chukanov N V, Pekov I V, Shlyukova Z V, Khomyakov A P
 
Crystallography Reports 43 (1998) 820-827
Structures of two potassium-rich labuntsovites in relation to the crystal chemistry
of minerals of the labuntsovite-nenadkevichite family
Sample: II
_database_code_amcsd 0012359
14.33 13.83 7.79 90 117.1 90 C2/m
atom        x     y     z   occ Biso
NaAI    .4068 .2665  .007    .5  3.9
NaAII   .4190     0 .7022  .125  5.3
KAII    .4190     0 .7022   .75  5.3
TiMI1     .25   .25    .5    .9 2.46
NbMI1     .25   .25    .5    .1 2.46
TiMI2       0 .2247    .5    .9 2.45
NbMI2       0 .2247    .5    .1 2.45
FeMII       0     0    .5 .0625  2.6
MnMII       0     0    .5 .0625  2.6
MgMII       0     0    .5  .025  2.6
Si1     .3225 .1107 .2520       1.65
Si2     .2080 .1094 .8017       1.60
O1      .0829 .1201 .6801        2.2
O2      .2743 .1824 .7376        1.9
O3      .2657 .1259 .3876        2.0
O4      .3667     0 .2769        2.1
O5      .2431     0 .7764        2.2
O6      .4209 .1803 .3026        2.2
O7      .2363 .1262 .0271        2.2
OH      .1013 .2229 .3965        2.0
KAIII   .0839     0 .3363   .65 2.24
BaAIII  .0839     0 .3363    .2 2.24
WatAIII .0839     0 .3363   .15 2.24
Ow1        .5 .1425     0       10.3
Ow2         0 .1175     0       10.7
H1       .479  .119   .89          3
H2       .051  .131   .09          4
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Kentbrooksite
 
Rastsvetaeva R K, Khomyakov A P, Nekrasov Y V
 
Crystallography Reports 44 (1999) 765-769
Crystal structure of a novel analog of eudialyte with R3 symmetry
Locality: Alluaiv mountain, Lovozero massif, Kola Peninsula, Russia
_database_code_amcsd 0012363
14.182 14.182 30.37 90 90 120 R3
atom       x     y      z  occ Biso
Na1a    .190  .615  .1527   .5  7.8
Na1b    .182  .569  .1550   .5  5.8
Ca1    .2448 .2447  .0001   .7 1.77
Ce1    .2448 .2447  .0001  .15 1.77
La1    .2448 .2447  .0001  .09 1.77
Nd1    .2448 .2447  .0001  .06 1.77
Mn    -.0006 .2718  .0001      1.82
MnM2   .1833 .3551  .3314   .2 1.82
FeM2   .1833 .3551  .3314  .05 1.82
Zr2    .0379 .5259  .0029 .133  2.4
Hf2    .0379 .5259  .0029 .017  2.4
Nb       1/3   2/3  .2904   .4 2.21
Na2a   .1175 .2234  .1534 .397  3.5
Ce2a   .1175 .2234  .1534 .043  3.5
La2a   .1175 .2234  .1534 .024  3.5
Nd2a   .1175 .2234  .1534 .016  3.5
Na2b    .077  .162  .1700  .52  7.2
Sr     .2396 .1126  .2776   .1  3.9
Na3    .1966 .0950  .2890   .9  2.9
Na4     .446  .550  .0036   .6  6.2
Na5a   .4388 .2142  .0534   .5  2.9
Na5b   .4760 .2355  .0423  .45  2.6
Sr5b   .4760 .2355  .0423  .05  2.6
Na6    .5612 .1117  .1804 .967  3.7
K6     .5612 .1117  .1804 .033  3.7
Zr1    .3335 .1589  .1666 .967 1.85
Ti1    .3335 .1589  .1666 .033 1.85
SiT1a    1/3   2/3  .0444  .51   .8
SiT1b    1/3   2/3  .0902  .49  2.2
SiT2     1/3   2/3  .2492   .6  5.4
Si1   -.0107 .6076  .0975      1.56
Si1'  -.0065 .3953  .0966      1.52
Si2    .1397 .0588  .0809      1.74
Si3    .0612 .3272  .2372      1.46
Si3'   .2753 .3225  .2366      1.42
Si4    .2083 .4156  .0767      1.82
Si5    .5257 .2518  .2532      1.70
Si6    .4574 .5405  .2574      1.78
O1     .1763 .3597  .0302       2.3
O2     .1828 .3533  .2210       2.3
O3     .6261 .5909  .0455       3.2
O3'    .6403 .0401  .0461       2.2
O4     .2555 .0231  .2055       2.6
O4'    .2594 .2256  .2060       3.3
O5     .4752 .2280  .2042       4.3
O6     .2245 .0964  .0423       3.2
O7     .1935 .0863  .1293       2.8
O8     .1072 .3909  .1079       3.5
O8'    .2721 .3706  .1085       2.1
O9     .4412 .2044  .2924       2.8
O10    .6147 .2126  .2562       3.0
O11    .0709 .1237  .0771       3.2
O12    .0554 .4370  .2273       3.1
O12'   .3910 .4284  .2269       2.1
O13    .0292 .5111  .3049       2.3
O14    .4075 .2981  .1289       3.2
O14'   .4120 .1029  .1285       2.5
O15    .0441 .2991  .2883       2.3
O15'   .2642 .2924  .2885       1.9
O16    .0200 .5170  .1119       2.3
O17    .2833 .5474  .0708       5.9
O18a    .205  .607  .2471  .45  4.0
O18b    .377  .593  .2622  .55  3.4
OH1        0     0   .330  .51  4.3
OH2      1/3   2/3  .1440  .55  2.8
OH3      1/3   2/3   .196  .53  7.7
OH4     .605  .400 -.0058  .44  4.4
OH5     .411  .606   .002  .15   6.
F        2/3   1/3  .0424   .5  2.7
Cl       2/3   1/3  .0424   .3  2.7
Wat3a    2/3   1/3   .110  .58  6.1
Wat3b    2/3   1/3   .150  .42  7.9
Wat1a      0     0   .248  .43  8.2
Wat1b      0     0   .289  .32  3.9
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Na18Mn3Ca3Zr3Si26O76*H2O
 
Rastsvetaeva R K, Khomyakov A P, Nekrasov Y V
 
Crystallography Reports 44 (1999) 824-828
Crystal structure of a novel analog of eudialyte with R3 symmetry
Locality: Alluaiv mountain, Lovozero alakaline massif, Kola Peninsula, Russia
_database_code_amcsd 0012364
14.182 14.182 30.37 90 90 120 R3
atom       x     y      z  occ Biso
Na1a    .190 .6150  .1527   .5  7.8
Na1b    .182 .5690  .1550   .5  5.8
CaM1'  .2448 .2447  .0001   .7 1.77
CeM1'  .2448 .2447  .0001  .14 1.77
LaM1'  .2448 .2447  .0001  .08 1.77
NdM1'  .2448 .2447  .0001  .05 1.77
YM1'   .2448 .2447  .0001  .03 1.77
Mn1   -.0006 .2718  .0001      1.82
Zr1    .3335 .1589  .1666 .967 1.85
Ti1    .3335 .1589  .1666 .033 1.85
Si1   -.0107 .6076  .0975      1.56
Si1'  -.0065 .3953  .0966      1.52
Si2    .1397 .0588  .0809      1.74
Si3    .0612 .3272  .2372      1.46
Si3'   .2753 .3225  .2366      1.42
Si4    .2083 .4156  .0767      1.82
Si5    .5257 .2518  .2532      1.70
Si6    .4574 .5405  .2574      1.78
O1     .1763 .3597  .0302       2.3
O2     .1828 .3533  .2210       2.3
O3     .6261 .5909  .0455       3.2
O3'    .6403 .0401  .0461       2.2
O4     .2555 .0231  .2055       2.6
O4'    .2594 .2256  .2060       3.3
O5     .4752 .2280  .2042       4.3
O6     .2245 .0964  .0423       3.2
O7     .1935 .0863  .1293       2.8
O8     .1072 .3909  .1079       3.5
O8'    .2721 .3706  .1085       2.1
O9     .4412 .2044  .2924       2.8
O10    .6147 .2126  .2562       3.0
O11    .0709 .1237  .0771       3.2
O12    .0554 .4370  .2273       3.1
O12'   .3910 .4284  .2269       2.1
O13    .0292 .5111  .3049       2.3
O14    .4075 .2981  .1289       3.2
O14'   .4120 .1029  .1285       2.5
O15    .0441 .2991  .2883       2.3
O15'   .2642 .2924  .2885       1.9
O16    .0200 .5170  .1119       2.3
O17    .2833 .5474  .0708       5.9
O18a    .205  .607  .2471  .45  4.0
O18b    .377  .593  .2622  .55  3.4
SiT1a    1/3   2/3  .0444  .51   .8
SiT1a    1/3   2/3  .0902  .49  2.2
SiT2     1/3   2/3  .2492   .6  5.4
Nb       1/3   2/3  .2904   .4 2.21
MnM2   .1833 .3551  .3314   .2 1.82
FeM2   .1833 .3551  .3314  .05 1.82
Zr2    .0379 .5259  .0029 .133  2.4
Hf2    .0379 .5259  .0029 .017  2.4
Na2a   .1175 .2234  .1534 .397  3.5
Ce2a   .1175 .2234  .1534  .04  3.5
La2a   .1175 .2234  .1534 .024  3.5
Nd2a   .1175 .2234  .1534 .016  3.5
Y2a    .1175 .2234  .1534 .003  3.5
Na2b    .077 .1620  .1700  .52  7.2
Sr     .2396 .1126  .2776   .1  3.9
Na3    .1966 .0950  .2890   .9  2.9
Na4    .4460 .5500  .0036   .6  6.2
Na5a   .4388 .2142  .0534   .5  2.9
Na5b   .4760 .2355  .0423  .45  2.6
Sr5b   .4760 .2355  .0423  .05  2.6
Na6    .5612 .1117  .1804 .967  3.7
K6     .5612 .1117  .1804 .033  3.7
OH1        0     0  .3300  .51  4.3
OH2      1/3   2/3  .1440  .55  2.8
OH3      1/3   2/3  .1960  .53  7.7
OH4    .6050 .4000 -.0058  .44  4.4
OH5    .4110 .6060  .0020  .15   6.
Wat1a      0     0  .2480  .43  8.2
Wat1b      0     0  .2890  .32  3.9
F1       2/3   1/3  .0424  .28  2.7
Cl       2/3   1/3  .0424  .17  2.7
Wat3a    2/3   1/3  .1100  .58  6.1
Wat3b    2/3   1/3  .1500  .42  7.9
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Labyrinthite
 
Rastsvetaeva R K, Khomyakov A P
 
Crystallography Reports 46 (2001) 752-757
Modular structure of a sodium-rich analogue of eudialyte with
the doubled c-parameter and the R3 symmetry
Locality: Eveslogchorr mountain
_database_code_amcsd 0012372
14.239 14.239 60.733 90 90 120 R3
atom       x     y      z  occ Biso
Zr1    .1659 .3321  .0829      1.35
Zr2   -.0012 .4992  .2481      1.29
Ca1    .0727 .6678  .1658      1.08
Ca1'   .5945 .6679  .1658       .99
Ca2   -.0004 .2620 -.0009       .89
Ca2'   .2615 .2620 -.0008       .96
Si1    .3248 .0551  .1182      1.29
Si1'   .3263 .2685  .1178      1.15
Si2    .2496 .1253  .2948      1.13
Si3    .0641 .3419  .2841         1
Si3'   .2766 .3401  .2839      1.96
Si4    .5979 .4037  .2910       .96
Si5    .0710 .1428  .0408       .98
Si6    .4044 .5962  .2068       .93
Si7    .5418 .4589  .1281      1.82
Si8    .2625 .5261  .1252      1.10
Si9    .0054 .6088  .0486      1.15
Si9'   .0070 .3970  .0484      1.25
Si10   .1243 .2485  .2038      1.61
Si11   .4173 .2091  .0369      1.18
Si12   .3398 .0636  .2141      1.24
Si12'  .3384 .2736  .2145      1.07
Si13       0     0  .1938       2.1
Si14       0     0  .2888       1.4
Si15     2/3   1/3  .0441       1.6
Si16     2/3   1/3  .1346  .20  6.8
O1     .3551 .1766  .1089       2.1
O2     .3083 .1521  .3182       1.8
O3     .5157 .0326  .1518       1.2
O4     .3856 .2808  .0534        .8
O4'    .3875 .1063  .0534       3.2
O5     .0729 .3691  .3089       1.7
O5'    .2917 .3688  .3092        .8
O6     .0300 .2585  .1038       2.2
O6'    .2257 .2542  .1039       2.5
O7     .3111 .1549  .2231       2.2
O8     .1008 .4032  .0632         2
O8'    .3028 .4070  .0636         2
O9     .0566 .1175  .2051         4
O10    .5687 .1407  .2664       2.1
O11    .2344 .4731  .1013       2.6
O12    .2986 .2515  .1438        .6
O12'   .3007 .0467  .1437       1.8
O13    .5523 .4493  .3103       1.2
O14    .2715 .5439  .2054       1.9
O15    .0353 .6268  .0224       1.4
O15'   .0351 .4037  .0229       2.2
O16    .3666 .2871  .1883       1.2
O16'   .3634 .0765  .1884       2.4
O17    .1232 .0606  .0395       1.2
O18    .5423 .2692  .2935       1.9
O19    .0572 .2937  .2189       2.2
O19'   .2332 .2871  .2188        .8
O20    .5067 .0190  .0564       1.6
O21    .3965 .6061  .1273       1.5
O22    .0924 .1875  .0654       1.6
O23    .0684 .6341  .2683       1.6
O23'   .5677 .6324  .2682       1.3
O24    .1558 .3178  .2739       1.7
O25    .4381 .3640  .2288       2.9
O25'   .4358 .0712  .2287       2.3
O26    .5468 .2715  .0333       3.9
O27    .1135 .2300  .0218         2
O28    .2201 .4411  .1445       1.5
O29    .1031 .5511  .1874       2.3
O30    .2792 .2278  .2788        .8
O30'   .2766 .0498  .2788       3.8
O31    .6037 .2118  .1253       3.6
O32    .4354 .3849  .1127       2.6
O32'   .6122 .5684  .1126       5.2
O33    .1199 .0576  .2996         4
O34    .1504 .3031  .1804       2.3
O35    .4303 .5732  .2313       2.2
O36    .3601 .1765  .0144       1.5
OH1        0     0  .2631       2.1
OH2      2/3   1/3  .0711       2.7
OH4     .556  .281  .1639  .50  4.7
OH5      2/3   1/3   .159  .20  7.8
OH7        0     0  .1681       5.2
Wat1     1/3   2/3  .2628       7.2
Wat3     1/3   2/3   .076  .66    9
Wat4     2/3   1/3  .2090  .32    4
Wat5       0     0  .1198  .86  3.1
Ti       2/3   1/3  .1421  .52  3.3
Fe     .3253 .1613  .1663  .73 2.31
Mn     .3839 .1918  .1644  .27    2
Na1    .0971 .5479  .3033       2.5
Na2    .2205 .1110  .0760       2.4
Na3    .2143 .4300  .0281       2.6
Na4a   .4391 .5604  .0889  .35  2.8
Na4b   .1687 .5859  .0817  .65  6.1
Na5    .5659 .4352  .1903       2.5
Na6    .2202 .4413  .2425       2.9
Na7    .4911 .2451  .2497       3.9
Na8a    .096  .166  .2486  .29  7.8
Na8b    .156  .127  .2470  .49  7.1
Na8b'   .154  .035  .2449  .22  6.9
Na9a   .5032 .2563  .0861  .80  5.2
Na9b    .521  .331  .0831  .20  4.9
Na10a  .0926 .1835  .1439  .63  2.4
Na10b  .1054 .2143  .1405  .37  3.3
Na11   -.007  .494  .0025  .41  2.7
Na12   .5604 .4390  .0018  .57  2.1
Na13   .1147 .5585 -.0031  .53    2
Cl1      1/3   2/3  .3118       3.7
Cl3a     1/3   2/3  .0200  .90  3.5
Cl3b     1/3   2/3   .046  .10    3
Cl       2/3   1/3  .2164  .68  2.2
F        2/3   1/3  .2164  .68  2.2
K1     .5659 .4352  .1903 .211  2.5
K2     .0926 .1835  .1439 .273  2.4
Ce1    .5604 .4390  .0018 .017  2.1
Ce2    .1147 .5585 -.0031 .017    2
Sr1    .2615 .2620 -.0008  .05  .96
Sr2    .4391 .5604  .0889 .089  2.8
Sr3    .1054 .2143  .1405 .067  3.3
Sr4    .5604 .4390  .0018 .017  2.1
Sr5    .1147 .5585 -.0031 .022    2
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Bussenite
 
Zhou H, Rastsvetaeva R K, Khomyakov A P, Ma Z, Shi N
 
Crystallography Reports 47 (2002) 43-46
Crystal structure of new micalike titanosilicate - bussenite,
Na2Ba2Fe2+[TiSi2O7][CO3]O(OH)(H2O)F
Locality: Khibiny alkaline massif, Kola Peninsula, Russia
_database_code_amcsd 0012376
5.399 7.016 16.254 102.44 93.18 90.10 P-1
atom     x     y     z  occ Biso
Na1   .733  .243 .9527   .5  3.1
Na2   .251  .289 .0461   .5  2.4
K1   .2234 .4246 .8493   .2 1.80
Ba1  .2234 .4246 .8493   .8 1.80
Ba2  .2933 .1222 .2449  .47 1.56
NaM1 .0073 .2513 .5030   .5  .65
MnM1 .0073 .2513 .5030 .275  .65
FeM1 .0073 .2513 .5030 .225  .65
FeM2    .5     0    .5   .5  .75
NaM2    .5     0    .5   .4  .75
MnM2    .5     0    .5   .1  .75
NaM3    .5    .5    .5   .5  .53
FeM3    .5    .5    .5   .4  .53
MnM3    .5    .5    .5   .1  .53
SrM4 .2789 .0938 .1870  .32 2.50
CaM4 .2789 .0938 .1870  .21 2.50
Ti   .6951 .3449 .6897  .95  .87
Nb   .6951 .3449 .6897  .05  .87
Si1  .1911 .0583 .6684       .76
Si2  .8083 .3887 .3315       .81
C     .758  .052  .106       4.6
O1    .957  .165 .7119       1.0
O2    .045  .451 .2870       1.4
O3    .555  .450 .2863       1.4
O4    .449  .162 .7134       1.7
O5    .800  .150 .3044       2.0
O6    .180  .032 .5690       2.2
O7    .822  .460 .4302       2.5
O8    .677  .292 .5809       1.7
O9    .154  .097  .902       9.6
O10   .889  .213  .106       7.9
O11   .555  .138  .095       9.4
OH    .338  .215 .4314       1.8
Wat   .719  .417 .8360       2.7
F1      .5    .5     0       3.7
F2       0    .5     0       5.7
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Keldyshite
Download hom/keldyshite.pdf
Khalikov A D, Khomyakov A P, Makhmudov S A
 
Doklady Akademii Nauk SSSR 238 (1978) 573-575
Crystal structure of keldyshite NaZr[Si2O6OH]
_database_code_amcsd 0012457
9.00 5.34 6.96 92 116 88 P-1
atom    x    y    z Biso
Na   .564 .239 .389 2.58
Zr   .276 .774 .057 1.40
Si1  .705 .717 .246 1.00
Si2  .833 .745 .709 1.09
O1   .750 .029 .688 1.93
O2   .519 .814 .227  .73
O3   .305 .572 .846 2.32
O4   .004 .684 .915 1.18
O5   .228 .089 .910 1.02
O6   .295 .469 .211 1.04
O7   .850 .700 .482 2.38
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Barentsite
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Tjy C T L, Pobedimskaya E A, Fundamenskii V S, Nadezhina T N, Khomyakov A P
 
Doklady Akademii Nauk SSSR 273 (1983) 699-704
The crystal structure of barentsite
Note: y(O1) corrected
_database_code_amcsd 0012474
6.472 6.735 8.806 92.50 97.33 119.32 P-1
atom      x       y      z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Na1       0       0      0       .0136  .0120  .0160  .0088  .0067  .0056
Na2      .5      .5      0       .0104  .0131  .0122  .0079  .0026  .0027
Na3      .5       0      0       .0098  .0113  .0166  .0053  .0014  .0050
Na4  .72594  .38587 .35730       .0156  .0121  .0088  .0083  .0025  .0016
Na5  .77860  .12001 .64502       .0153  .0118  .0088  .0077  .0015  .0007
Al        0      .5      0       .0065  .0067  .0049  .0040   0014  .0011
H     .2084   .2219  .5139   .1
C1   .28907  .11140 .70073       .0075  .0075  .0083  .0038  .0017  .0017
C2   .20352  .38800 .28539       .0072  .0069  .0064  .0033  .0007  .0013
O1   .35206 -.00777 .62662       .0149  .0115  .0109  .0090  .0028  .0008
O2   .20770  .23336 .61985       .0198  .0150  .0111  .0138  .0045  .0051
O3   .29366  .13085 .84371       .0137  .0051  .0072  .0077  .0031  .0022
O4   .28515  .25854 .33757       .0168  .0141  .0116  .0121  .0025  .0046
O5   .17493  .39169 .13584       .0112  .0124  .0057  .0072  .0018  .0018
O6   .15343  .50495 .37421       .0164  .0125  .0074  .0101  .0023  .0003
F1   .75409  .39462 .10792       .0099  .0149  .0079  .0079  .0038  .0036
F2   .85005  .21556 .89472       .0116  .0096  .0085  .0058  .0004 -.0002
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Arctite
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Sokolova E V, Yamnova N A, Egorov-Tismenko Y K, Khomyakov A P
 
Doklady Akademii Nauk SSSR 274 (1984) 78-83
The crystal structure of a new phosphate of Na,Ca and Ba: (Na5Ca)Ca6Ba(PO4)6F3
_database_code_amcsd 0012475
14.366 14.366 14.366 28.58 28.58 28.58 R-3m
atom      x      y      z occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Na1   .3130  .3130  .7828 5/6 .00521 .00521 .00697 -.00271 -.00243 -.00243
Ca1   .3130  .3130  .7828 1/6 .00521 .00521 .00697 -.00271 -.00243 -.00243
Ca   .44308 .44308  .9283     .00535 .00535 .00467 -.00210 -.00223 -.00223
Ba        0      0      0     .00474 .00474 .00474 -.00216 -.00216 -.00216
P1   .67541 .67541 .67541     .00494 .00494 .00494 -.00230 -.00230 -.00230
P2   .20725 .20725 .20725     .00386 .00386 .00386 -.00169 -.00169 -.00169
P3   .08372 .08372 .08372     .00386 .00386 .00386 -.00176 -.00176 -.00176
O1    .1207  .1207  .1207     .01151 .01151 .01151 -.00541 -.00541 -.00541
O2    .1900  .1900  .8345     .00684 .00684 .00210 -.00379 -.00121 -.00121
O3    .1938  .1938  .5445     .00731 .00731 .00514 -.00474 -.00223 -.00223
O4    .2450  .2450  .2450     .01558 .01558 .01558 -.00745 -.00745 -.00745
O5    .3621  .3621  .3621     .00948 .00948 .00948 -.00453 -.00453 -.00453
O6    .3146  .3146  .9599     .00968 .00968 .00304 -.00406 -.00203 -.00203
F1       .5     .5     .5     .00474 .00474 .00474 -.00216 -.00216 -.00216
F2   .42926 .42926 .42926     .00860 .00867 .00860 -.00406 -.00406 -.00406
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Nefedovite
Download hom/nefedovite.pdf
Sebals M, Dorokhova G I, Pobedimskaya E A, Khomyakov A P
 
Doklady Akademii Nauk SSSR 278 (1984) 353-357
The crystal structure of nefedovite and its typomorphism
_database_code_amcsd 0012476
11.644 11.644 5.396 90 90 90 I-4
atom     x     y     z Biso
Na1  .0943 .3886 -.008 1.23
Na2      0     0    .5  1.1
Ca   .1786 .1114 .0181  .38
P    .1045 .2499 .4898  .42
O1   .0385 .2168  .256   .8
O2   .1036 .3805  .523 1.08
O3   .2277 .2079  .454  .71
O4   .0498 .1943  .721  .86
F        0     0     0   .9
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Alluaivite
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Rastsvetaeva R K, Khomyakov A P, Andrianov V I, Gusev A I
 
Doklady Akademii Nauk SSSR 312 (1990) 1379-1383
Crystal structure of alluaivite
Note: eudialyte-type structure
_database_code_amcsd 0012482
14.046 14.046 60.600 90 90 120 R-3m
atom      x     y     z occ Biso
Na1   .4864 .2432 .4820      3.0
Na2   .5574 .4426 .4090      3.5
Na3   .2360 .1180 .3622      2.9
Na4   .2246 .4492 .3351 .78  3.6
Na5   .4140 .5860 .4221 .97  6.9
Na6   .1043 .5522 .0894 .90  3.1
Na7     1/3   1/6   1/6      3.0
Na8      .5    .5     0 .22  5.3
Ca1   .7376     0     0 .75  .63
Ca2   .7396 .7396    .5 .75  .68
Mn1   .7376     0     0 .25  .63
Mn2   .7396 .7396    .5 .25  .68
Nb1   .3419 .1710 .4163 .23 1.31
K2        0     0    .5 .33  4.8
Ce3   .4140 .5860 .4221 .03  6.9
Sr4   .1043 .5522 .0894 .10  3.1
Ti3   .3419 .1710 .4163 .77 1.31
Si1   .2063 .4127 .4608      .97
Si2   .5249 .2625 .3735     1.32
Si3   .0848 .5424 .3712     1.04
Si4   .4047 .5953 .2095      .94
Si5   .3496 .2847 .2157      .94
Si6   .0625 .3426 .2842     1.22
Si7     1/3   2/3 .3781     1.20
Si8     1/3   2/3 .4715     1.80
O1    .1717 .3434 .3914      1.7
O2    .0258 .5130 .3481      1.7
O3    .5527 .4473 .3124      2.5
O4    .1825 .3651 .4848      1.3
O5    .4433 .5567 .2307      2.5
O6    .4738 .2369 .3982      2.2
O7    .0623 .1247 .4543      1.9
O8    .4895 .0210 .4442      1.4
O9    .6038 .3962 .3720      2.0
O10   .4313 .5687 .1862      2.5
O11   .3919 .6081 .3672      7.7
O12   .2691 .0390 .3980      1.9
O13   .2781 .3745 .4458      1.9
O14   .0729 .7026 .3097      1.7
O15   .6897 .6147 .1907      1.6
O16   .0542 .4395 .3877      2.8
O17   .4424 .3594 .2333      1.8
O18   .2734 .5467 .4591      2.6
O19     1/3   2/3 .4041      1.5
O20     1/3   2/3 .4964      3.6
Wat21     0     0    .5 .67  4.8
Wat22   2/3   1/3 .4483       10
Wat23   1/3   2/3 .0500 .20  3.3
Cl        0     0 .3543 .80  2.3
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Crawfordite
Download hom/crawfordite.pdf
Sokolova E V, Khomyakov A P
 
Doklady Akademii Nauk SSSR 322 (1992) 531-535
Crystal structure of a new mineral Na3SePO4CO3 from bredleyite group
_database_code_amcsd 0012486
9.187 5.279 6.707 90 90 89.98 P2_1
atom     x      y    z Biso
Sr   .6764 -.0003  .25 1.10
P    .3305 -.0001 .254  .58
Na1  .1584   .498 .236  3.4
Na2   .006  -.006 .006  3.3
Na3  .4658   .501 .456  1.3
C     .154   .508 .773  3.1
O1    .705   .493 .270  1.8
O2    .915   .290 .246  3.9
O3    .235   .143 .105  1.9
O4    .427   .805 .156  2.2
O5    .917   .711 .255  4.2
O6    .426   .197 .153  1.5
O7    .762   .137 .911  1.2
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Deloneite
 
Rastsvetaeva R F, Khomyakov A P
 
Doklady Akademii Nauk SSSR 349 (1996) 354-357
Crystal structure of deloneite-(Ce), high ordered Ca analogue of belovite
_database_code_amcsd 0012491
9.51 9.51 7.01 90 90 120 P-3
atom     x     y      z  occ Biso
Na1    1/3   2/3 -.0206   .5  2.0
Ca1    1/3   2/3 -.0206   .2  2.0
Sr1  .0158 .2555  .2413 .767 1.96
Ce1    2/3   1/3 -.0124  .15 2.38
La1    1/3   2/3 -.0206   .3  2.0
Na2    1/3   2/3  .5002   .5  2.2
Nd1    1/3   2/3  .5002  .25  2.2
Ca2    1/3   2/3  .5002  .25  2.2
Ca3    2/3   1/3 -.0124   .7 2.38
La2    2/3   1/3 -.0124  .15 2.38
Ca4    2/3   1/3  .4905   .7 2.30
La3    2/3   1/3  .4905  .15 2.30
Ce2    2/3   1/3  .4905  .15 2.30
Ca5  .0158 .2555  .2413 .233 1.96
Na3  .2455 .2336  .7422 .333 1.80
Ce3  .2455 .2336  .7422 .333 1.80
Ca6  .2455 .2336  .7422 .333 1.80
P1   .6339 .0294  .2376      1.12
P2   .0276 .4034  .7381 .933 1.43
Si1  .0276 .4034  .7381 .067 1.43
O1    .125  .591   .744       1.1
O2    .499  .161   .731       2.5
O3    .326  .263   .073       4.7
O4    .328  .262   .406       3.7
O5    .096  .352   .911       1.3
O6    .095  .352   .562       1.3
O7    .152  .681   .233       1.2
O8    .573  .458   .239       3.1
F1       0     0   .246        .9
F2       0     0   .820  .41  3.2
OH9      0     0   .558  .32  4.0
OH10     0     0   .625  .31  3.6
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Pyatenkoite-(Y)
 
Rastsvetaeva R K, Khomyakov A P
 
Doklady Chemistry 351 (1996) 283-286
Crystal structure of pyatenkoite-(Y) Na5YTiSi6O18*6H2O, a new mineral of the
hilairite group: crystal structure
Locality: Lovozero massif, Kola Peninsula, Russia
_database_code_amcsd 0012500
10.696 10.696 15.728 90 90 120 R32
atom     x     y     z occ Biso
Na1      0     0 .1933      2.2
Na2   .365     0    .5      3.1
YM2    1/3   2/3   1/6  .5 1.01
DyM2   1/3   2/3   1/6  .3 1.01
GdM2   1/3   2/3   1/6  .2 1.01
TiM1     0     0     0  .8  .78
NbM1     0     0     0  .2  .78
Si   .4228 .4073 .2476      .69
O1    .092  .168 .0749      1.2
O2    .103  .211 .5720      1.3
O3    .657     0     0      1.0
O4    .641     0    .5      1.8
Ow5   .503  .144 .0589      1.8
H1     .53   .43   .04      2.0
H2     .48   .68     0      2.0
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Lemmleinite-K
 
Rastsvetaeva R K, Arakcheeva A V, Khomyakov A P
 
Doklady Chemistry 351 (1996) 294-297
Crystal structure and microtwinning of a new monoclinic analog of
nenadkevichite
Locality: Khibiny alkaline massif, Kola Peninsula, Russia
_database_code_amcsd 0012501
14.39 13.900 7.825 90 117.6 90 C2/m
atom     x     y     z occ Biso
Na   .4083 .2647  .000 .43  3.3
K1   .0842     0 .3365 .95  2.6
K2   .4159     0 .7012 .80  3.3
TiM1     0 .2244    .5  .7 1.47
NbM1     0 .2244    .5  .3 1.47
TiM2   .25   .25    .5  .7 1.51
NbM2   .25   .25    .5  .3 1.51
Si1  .2086 .1096 .8015      .81
Si2  .3232 .1101 .2525      .85
O1   .2391 .1244  .027      1.4
O2   .2728 .1798  .734      1.1
O3   .1008 .2244  .396  .7   .9
OH3  .1008 .2244  .396  .3   .9
O4   .2358     0  .768      1.5
O5   .4229 .1767  .304      1.7
O6   .2667 .1284  .386      1.2
O7   .3683     0  .282      1.3
O8   .0830 .1237  .681      1.5
Wat1    .5  .142     0 .90  8.8
Wat2     0  .126     0 .88 10.9
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Georgbarsanovite
 
Ekimenkova I A, Rastsvetaeva R K, Khomyakov A P
 
Doklady Chemistry 370 (2000) 17-20
Crystal structure of the Fe,Cl-analogue of kentbrooksite
Locality: Petrelius peak, Khibiny massif, Kola Peninsula, Russia
_database_code_amcsd 0012503
14.262 14.262 29.949 90 90 120 R3m
atom       x     y      z  occ Biso
Na1    .2090 .1045  .2855       3.5
Na2a   .1057 .2114  .1562  .53  1.7
Na2b    .126  .252   .146  .10  2.8
Na2c    .077  .154  .1738  .37  2.3
Na3a   .5696 .1392  .1730  .57  1.8
Na3b   .5548 .1096  .1815  .43  1.9
Na4a    .497  .782   .170  .11    7
Na4b   .4768 .7384  .1863  .78  4.1
Ca     .4054 .3315  .3323       .77
Zr     .3270 .1635  .1667       .75
Fe     .0108 .5054 -.0002  .23  1.9
NbM1     1/3   2/3  .2958   .8  1.5
SiM1     1/3   2/3  .2958   .2  1.5
Fe2+M2 .1819 .3638  .3289  .62  1.6
MnM2   .1819 .3638  .3289  .04  1.6
ZrM2   .1819 .3638  .3289  .09  1.6
TiM2   .1819 .3638  .3289  .02  1.6
KM3    .4666 .2333  .0467 .083  1.7
SrM3   .4666 .2333  .0467 .239  1.7
BaM3   .4666 .2333  .0467 .011  1.7
YM3    .4666 .2333  .0467 .044  1.7
MnM3   .4666 .2333  .0467 .356  1.7
CaM3   .4666 .2333  .0467 .111  1.7
CeM3   .4666 .2333  .0467 .156  1.7
Si1    .6095 .6042  .0973       .58
Si2    .1402 .0701  .0807       .76
Si3    .2688 .3260  .2373       .54
Si4    .2102 .4204  .0743       .66
Si5    .5266 .2633  .2505       .57
Si6    .4595 .5405  .2565       .77
Si7      1/3   2/3  .0873       1.4
O1     .2084 .6042  .2513       2.1
O2     .3988 .2975  .1266       1.9
O3     .6272 .0380  .0455       1.0
O4     .0468 .3012  .2899        .9
O5     .1067 .3885  .1067       2.0
O6     .5721 .6099  .2269       1.3
O7     .2539 .2251  .2078       1.4
O8     .4414 .2207  .2908       1.6
O9     .1807 .3614  .2203       1.0
O10    .1796 .0898  .1324       1.5
O11    .1778 .3556  .0290       1.1
O12    .6055 .3948  .2531       1.0
O13    .2328 .1164  .0448       1.5
O14    .4827 .5172  .3064       1.1
O15    .0118 .5059  .1160       1.0
O16    .0616 .1232  .0734       1.1
O17    .2743 .5486  .0662       3.2
O18    .4710 .2355  .2025       1.4
OH1      1/3   2/3  .1426       2.1
OH2    .6030 .2060 -.0014       3.0
OH3     .413  .586   .002  .23    9
Clla    .618  .383  .0967  .10  3.0
Cllb     2/3   1/3  .0991  .80  2.4
Cl2        0     0  .2449  .20  1.2
Wat        0     0  .2551  .80  1.7
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Canasite
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Rastsvetaeva R K, Rozenberg K A, Khomyakov A P, Rozhdestvenskaya I V
 
Doklady Chemistry 391 (2003) 177-180
Crystal structure of F-canasite
Locality: Khibiny alkaline massif, Kola Peninsula, Russia
_database_code_amcsd 0012509
18.846 7.242 12.650 90 111.84 90 Cm
atom      x     y      z  occ  Uiso
K1    .1570     0  .4988       .028
K2    .3422    .5  .4997       .030
K3a  -.0016    .5   .505  .76  .045
K3b    .511     0   .558  .24   .07
Ca1   .2456    .5 -.0032  .85 .0130
Mn1   .2456    .5 -.0032  .15 .0130
Ca2   .1608 .2475  .1552 .875 .0066
Mn2   .1608 .2475  .1552 .125 .0066
Ca3   .0002    .5 -.0005      .0161
NaM   .3321 .2490  .8418   .5 .0127
CaM   .3321 .2490  .8418   .5 .0127
Na1       0     0      0      .0051
Na2   .2498     0  .0047       .010
Si1   .0173 .2382  .2474      .0223
Si2   .1433 .2286  .7520      .0175
Si3   .1361    .5  .3679       .003
Si4   .2016    .5  .6309      .0017
Si5   .3543 .2871  .2490      .0082
Si6   .2931     0  .3671       .017
Si7   .3599     0  .6318       .015
Si8   .4798 .2869  .7513       .010
O1    .0299  .253  .1332       .010
O2    .0807  .322  .3546       .009
O3    .2009     0  .2826       .025
O4    .1979    .5  .4977       .015
O5    .1517 .3142  .6409       .005
O6    .0606 .2881  .7529       .015
O7    .2835  .257  .1302       .004
O8    .2160  .246  .8606       .029
O9    .4307  .228  .2384       .028
O10   .3435  .175  .3563       .028
O11   .3281     0  .4969       .023
O12   .3069     0  .7136       .019
O13   .4151 .1787  .6400       .021
O14   .4634  .247  .8550       .018
O15   .1774    .5  .2806       .014
O16   .2858    .5   .711       .023
O17   .0273     0  .2865       .006
O18   .1316     0  .7089       .005
O19   .3655    .5  .2892       .026
O20   .4697    .5  .7067       .023
F1    .1324     0  .0286       .014
F2    .3674     0  .9669       .025
F     .3590    .5   .958  .75  .028
OH    .3590    .5   .958  .25  .028
OH1   .1273    .5  .0242       .024
Wat   -.003     0   .502       .026
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Sazykinaite-(Y)
 
Rastsvetaeva R K, Khomyakov A P
 
Kristallografiya 37 (1992) 1561-1563
Crystal structure of a rare earth analog of hilairite
_database_code_amcsd 0014193
10.825 10.825 15.809 90 90 120 R32
atom     x     y     z occ Biso
Na1      0     0 .1955      2.2
Na2   .359     0    .5  .8  4.1
K     .359     0    .5  .2  4.1
ZrM1     0     0     0  .7  .68
TiM1     0     0     0  .2  .68
NbM1     0     0     0  .1  .68
YM2      0     0    .5  .8  .66
DyM2     0     0    .5  .1  .66
GdM2     0     0    .5  .1  .66
Si   .4216 .4094 .2472      .52
O1    .096  .176 .0795      1.0
O2    .104  .207 .5732      1.2
O3    .659     0     0       .9
O4    .641     0    .5      1.3
Ow5   .501  .140 .0593      1.7
H1     .53   .43   .04
H2     .48   .68   .00
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Sveinbergeite
 
Khomyakov A P, Cámara F, Sokolova E, Abdu Y, Hawthorne F C
 
Mineralogical Magazine 75 (2011) 2687-2702
Sveinbergeite, Ca(Fe2+6Fe3+)Ti2(Si4O12)2O2(OH)5(H2O)4, a new astrophyllite-group mineral
from the Larvik Plutonic Complex, Oslo Region, Norway: description and crystal structure
Locality: Larvik Plutonic Complex, Oslo Region, Norway
_database_code_amcsd 0018570
5.329 11.803 11.822 101.140 98.224 102.442 P-1
atom       x     y     z occ  Uiso
Fe2+M1 .8452 .7086 .9777 .80 .0079
Fe3+M1 .8452 .7086 .9777 .13 .0079
MnM1   .8452 .7086 .9777 .05 .0079
MgM1   .8452 .7086 .9777 .02 .0079
Fe2+M2 .2825 .5692 .9894 .80 .0097
Fe3+M2 .2825 .5692 .9894 .13 .0097
MnM2   .2825 .5692 .9894 .05 .0097
MgM2   .2825 .5692 .9894 .02 .0097
Fe2+M3 .5788 .1474 .0179 .80 .0047
Fe3+M3 .5788 .1474 .0179 .13 .0047
MnM3   .5788 .1474 .0179 .05 .0047
MgM3   .5788 .1474 .0179 .02 .0047
Fe2+M4     0     0     0 .80 .0059
Fe3+M4     0     0     0 .13 .0059
MnM4       0     0     0 .05 .0059
MgM4       0     0     0 .02 .0059
TiD    .4002 .6517 .7186 .93 .0102
NbD    .4002 .6517 .7186 .03 .0102
ZrD    .4002 .6517 .7186 .02 .0102
Fe3+D  .4002 .6517 .7186 .02 .0102
SiT1   .1514 .1039 .7805 .99  .017
AlT1   .1514 .1039 .7805 .01  .017
SiT2   .7096 .2282 .7805 .99  .017
AlT2   .7096 .2282 .7805 .01  .017
SiT3   .8419 .4900 .7578 .99  .009
AlT3   .8419 .4900 .7578 .01  .009
SiT4    .989 .8295 .7533 .99  .019
AlT4    .989 .8295 .7533 .01  .019
WatA    .444  .854  .521 .93  .088
KA      .444  .854  .521 .07  .088
CaB1    .188  .391  .485 .48  .050
NaB1    .188  .391  .485 .06  .050
WatB2   .201  .339  .537 .47  .050
O1      .054 .9602 .7182      .019
O2      .729 .3456 .7250      .027
O3      .678  .777  .703      .034
O4      .100  .521  .704      .068
O5      .905  .538  .900      .018
O6      .627  .550  .694      .045
O7      .092  .847 .2746      .022
O8      .771  .264 .9250      .015
O9      .211  .133 .9199      .013
O10     .948 .1604 .1103      .005
O11     .154  .751  .689      .032
O12     .592  .849 .2742      .022
O13     .465  .691  .879      .027
OH14    .337  .399 .9150      .009
OH15    .376  .012 .0901      .011
WatX    .315  .611  .540 .47  .034
OHX     .315  .611  .540 .45  .034
FX      .315  .611  .540 .08  .034
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Bonshtedtite
Download hom/bonshtedtite.pdf
Tjy C T L, Nadezhina T N, Pobedimskaya E A, Khomyakov A P
 
Mineralogiceskij Zhurnal 6 (1984) 79-84
Crystal chemical characteristics of bradleyite, sidorenkite and bonshtedtite
Note: atomic parameters from ICSD
_database_code_amcsd 0018485
8.955 5.149 6.629 90 90 90.45 P2_1/m
atom     x     y     z Biso
Na1  .2633 .2497 .0032 1.26
Na2  .9177 .2346   .75 1.66
Fe   .6447 .2217   .25  .80
P    .5859 .2967   .75  .55
C    .9392 .2696   .25  .75
O1   .8741 .0478   .25 1.08
O2   .8572 .4753   .25 1.19
O3   .0808 .2850   .25 1.41
O4   .6805 .2209  .563 1.07
O5   .4343 .1630   .75  .89
O6   .4390 .4065   .25  .95
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Donnayite-(Y)
Download hom/donnayitey.pdf
Tjy C T L, Pobedimskaya E A, Nadezhina T N, Khomyakov A P
 
Moscow University Geology Bulletin 47 (1992) 60-70
Polymorphism of donnayite (Na,TR)Sr(CO3)2*H2O
Locality: Khibiny alkaline massif
_database_code_amcsd 0018481
8.983 8.985 6.780 116.25 102.76 60.00 P1
atom        x     y      z occ Biso
NaA1        0     0      0 .31  .81
NaA2    .3232 .3346 -.0066 .31  .86
NaA3     .663  .663  -.006 .31  1.0
YA1         0     0      0 .26  .81
YA2     .3232 .3346 -.0066 .26  .86
YA3      .663  .663  -.006 .26  1.0
CeA1        0     0      0 .20  .81
CeA2    .3232 .3346 -.0066 .20  .86
CeA3     .663  .663  -.006 .20  1.0
LaA1        0     0      0 .10  .81
LaA2    .3232 .3346 -.0066 .10  .86
LaA3     .663  .663  -.006 .10  1.0
NdA1        0     0      0 .05  .81
NdA2    .3232 .3346 -.0066 .05  .86
NdA3     .663  .663  -.006 .05  1.0
DyA1        0     0      0 .03  .81
DyA2    .3232 .3346 -.0066 .03  .86
DyA3     .663  .663  -.006 .03  1.0
GdA1        0     0      0 .02  .81
GdA2    .3232 .3346 -.0066 .02  .86
GdA3     .663  .663  -.006 .02  1.0
PrA1        0     0      0 .01  .81
PrA2    .3232 .3346 -.0066 .01  .86
PrA3     .663  .663  -.006 .01  1.0
ErA1        0     0      0 .01  .81
ErA2    .3232 .3346 -.0066 .01  .86
ErA3     .663  .663  -.006 .01  1.0
YbA1        0     0      0 .01  .81
YbA2    .3232 .3346 -.0066 .01  .86
YbA3     .663  .663  -.006 .01  1.0
Sr1     .6608 .4627  .3771 .73  1.0
Sr2    -.0086 .7911  .3710 .73  1.0
Sr3     .3277 .1250  .3769 .73  1.0
Ca1     .6608 .4627  .3771 .15  1.0
Ca2    -.0086 .7911  .3710 .15  1.0
Ca3     .3277 .1250  .3769 .15  1.0
Na1     .6608 .4627  .3771 .09  1.0
Na2    -.0086 .7911  .3710 .09  1.0
Na3     .3277 .1250  .3769 .09  1.0
Ba1     .6608 .4627  .3771 .03  1.0
Ba2    -.0086 .7911  .3710 .03  1.0
Ba3     .3277 .1250  .3769 .03  1.0
C1      -.003  .417   .246       .2
C2       .666  .072   .253      1.1
C3       .326  .779   .269      1.7
C4       .556  .378   .782      2.8
C5       .437  .931   .795      2.6
C6      -.001  .487   .785      2.2
O1      -.001  .281   .288      2.0
O2       .150  .424   .284      1.4
O3       .846  .556   .234      1.2
O4       .677  .932   .231      1.5
O5       .806  .080   .236       .3
O6       .525  .228   .262       .8
O7       .324  .614   .251       .2
O8       .468  .758   .254      1.5
O9       .196  .906   .262      2.7
O10      .514  .239   .713      3.3
O11      .508  .525   .721      2.7
O12      .667  .374   .963      1.8
O13      .334  .057   .712      4.1
O14      .612  .777   .711      2.8
O15      .387  .933   .960      2.2
O16      .874  .414   .710      2.4
O17      .142  .429   .709      3.0
O18      .936  .660   .957      2.1
Wat19    .152  .701   .701      2.9
Wat20    .037  .066   .712      3.2
Wat21    .786  .952   .710      2.9
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Donnayite-(Y)
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Tjy C T L, Pobedimskaya E A, Nadezhina T N, Khomyakov A P
 
Moscow University Geology Bulletin 47 (1992) 60-70
Polymorphism of donnayite (Na,TR)Sr(CO3)2*H2O
Locality: Khibiny alkaline massif
_database_code_amcsd 0018482
5.211 5.211 18.357 90 90 120 R3m
atom     x    y    z  occ Biso
Na       0    0    0  .49 1.87
Y        0    0    0  .24 1.87
Ce       0    0    0  .11 1.87
La       0    0    0  .09 1.87
Gd       0    0    0  .02 1.87
Dy       0    0    0  .02 1.87
Er       0    0    0  .01 1.87
Yb       0    0    0  .01 1.87
Pr       0    0    0  .01 1.87
Sr       0    0 .794  .71  .97
Ca       0    0 .794  .19  .97
Ba       0    0 .794  .09  .97
Na       0    0 .794  .01  .97
C        0    0 .416      1.37
O1   -.143 .143 .422       1.7
Wat2  .169 .139 .570  1/6  3.7
O2    .169 .139 .570 1/12  3.7
C2    .169 .139 .570  1/6  3.7
O3    .080 .361 .911  .25  5.6
O4    .091 .118 .653  1/6   .8
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Clinophosinaite
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Krutik V M, Pushcharovsky D Y, Khomyakov A P, Pobedimskaya E A, Belov N V
 
Soviet Physics - Crystallography 25 (1980) 138-142
Anion radical of mixed type (four [S4O12] rings and P orthotetrahedra)
in the structure of monoclinic fosinaite
Locality: Khibiny pegmatites, Kola Peninsula, Russia
_database_code_amcsd 0015582
7.303 12.201 14.715 90 91.93 90 P2/c
atom     x     y      z occ Biso B(1,1)  B(2,2)  B(3,3)  B(1,2)  B(1,3)  B(2,3)
Na1      0 .4622    .25     2.01 .00807  .00270  .00313  .00000 -.00011  .00000
Na2      0 .1709    .25     2.56 .01548  .00204  .00386  .00000  .00130  .00000
Na3     .5 .1251    .75     4.17 .03299  .00156  .00943  .00000 -.01462  .00000
Na4     .5 .1641    .25     3.18 .02792  .00251  .00406  .00000 -.00589  .00000
Na5     .5 .4545    .25     1.84 .00901  .00151  .00271  .00000 -.00142  .00000
Na6     .5    .5      0      .72 .00413  .00099  .00062 -.00056 -.00074  .00080
Na7  .4841 .1760 -.0055     2.70 .01116  .00557  .00265 -.00221  .00095 -.00048
Na8  .2552 .3378  .3907      .96 .00642  .00204  .00094  .00019  .00009  .00008
Na9  .2672 .0041  .1165     3.49 .01914  .00149  .00732 -.00019 -.00093  .00114
Ca1      0    .5      0      .49 .00272  .00112  .00079 -.00064  .00016  .00022
Ca2      0 .1434    .75     1.46 .01116  .00099  .00150  .00000  .00309  .00000
Ca3  .0002 .1909  .5147     1.22 .00488  .00398  .00082  .00165 -.00021  .00029
Si1  .3005 .3157  .6391      .53 .00337  .00131  .00060 -.00016 -.00037  .00004
Si2  .2658 .3578  .8405      .47 .00286  .00149  .00057  .00016  .00002  .00004
P1   .2543 .3066  .1340      .62 .00337  .00131  .00060  .00005 -.00037  .00018
P2   .2431 .0281  .3797      .87 .00319  .00127  .00077 -.00016 -.00021  .00004
O1   .2496 .1878  .6499     1.36 .01023  .00102  .00186 -.00008  .00041  .00020
O2   .2144 .3681  .5477     1.63 .01177  .00285  .00056  .00283 -.00065  .00001
O3   .4759 .3203  .8651     2.92 .00511  .01209  .00225  .00350 -.00007  .00051
O4   .2538 .3879  .7298     1.47 .01299  .00179  .00049  .00098 -.00034 -.00009
O5   .2183 .4689  .8900     1.36 .01450  .00127  .00145 -.00022  .00074 -.00055
O6   .1427 .2526  .8593     2.19 .01346  .00251  .00267 -.00280  .00237  .00008
O7   .2586 .1858  .1043     2.08 .01304  .00075  .00312  .00016  .00065 -.00032
O8   .2509 .3155  .2379     1.62 .00774  .00466  .00041 -.00126 -.00018  .00029
O9   .0743 .3545  .0925     1.27 .00370  .00275  .00189  .00042 -.00104  .00062
O10  .4223 .3644  .0999     1.21 .00375  .00325  .00168 -.00073 -.00021  .00101
O11  .2348 .1501  .4082     1.87 .00962  .00238  .00337 -.00008  .00072 -.00167
O12  .0742 .0263  .9147  .5 3.87 .01173  .00275  .01296 -.00078  .00871 -.00146
O13  .2080 .0151  .2796  .5 3.83 .06471  .00470  .00265 -.00039  .00202 -.00068
O14  .4226 .0206  .9088  .5 3.69 .01107  .00458  .01231 -.00129 -.00638 -.00078
O15  .3854 .0185  .3028  .5  .87 .01182 -.00055 -.00022  .00381  .00372  .00094
O16  .2615 .0517  .9565  .5 3.19 .04092  .00678  .00139 -.01049  .00708 -.00501
O17  .0668 .0121  .3149  .5 3.06 .00605 -.00272  .00462  .00044  .01322  .00108
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Rouvilleite
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Yamnova N A, Pushcharovskii D Yu, Khomyakov A P, Vyatkin S V
 
Soviet Physics - Crystallography 36 (1991) 14-16
Crystal structure of the new natural fluorocarbonate Na3Ca(Mn,Ca)(CO3)3F
Locality: hydrothermalites, Lovozero alkaline massif, Kola Peninsula, Russia
_database_code_amcsd 0015588
8.012 15.79 7.019 90 100.78 90 Cc
atom      x      y      z  occ Biso
Na1   .0597  .1096  .1825      1.30
Na2   .0578  .8852  .1810      1.31
Na3   .4247  .1741  .0201      2.06
Ca1  .19231 .51002 .34615       .92
Mn2   .4425 .81066  .0333 .439 1.28
Ca2   .4425 .81066  .0333 .361 1.28
Fe2   .4425 .81066  .0333 .060 1.28
Y2    .4425 .81066  .0333 .034 1.28
Dy2   .4425 .81066  .0333 .020 1.28
C1    .2438  .3074  .3029       1.1
C2    .2479  .6955  .3075       1.1
C3    .3241 -.0050 -.0041       1.0
O1    .4881  .0033  .0444       1.9
O2    .1043  .6556  .3124       1.7
O3    .2626  .9199 -.0235       2.2
O4    .2278  .9413  .4665       2.2
O5    .3839  .6597  .3878       2.5
O6    .2460  .7662  .2233       1.8
O7    .3916  .3217  .4061       2.1
O8    .2131  .2381  .2085       2.0
O9    .1240  .3628  .2954       1.9
F     .3651  .4995  .1347 .987 1.37
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Revdite
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Rastsvetaeva R K, Mikheeva M G, Yamnova N A, Pushcharovskii D Yu, Khomyakov A P
 
Soviet Physics - Crystallography 37 (1992) 632-636
Crystal structure of revdite Na16[Si4O6(OH)5]2[Si8O15(OH)6](OH)10*28H2O
Locality: synthetic
Note: changed Si6(z) sign and OH11(y) value to match reported bond distances
_database_code_amcsd 0015591
53.83 9.972 6.907 90 96.78 90 C2
atom      x    y     z Biso
Si1   .2025 .208  .680   .7
Si2   .2997 .492 -.010  1.6
Si3   .2727 .498  .573  1.6
Si4   .4522 .465  .680  3.0
Si5   .4528 .028  .679  2.6
Si6   .4528 .244 -.008  2.3
Si7   .2973 .282  .319  1.2
Si8   .4741 .247  .430  2.4
Na1   .3658 .489  .128  3.1
Na2   .2082 .489  .957  2.8
Na3   .1302 .492  .833  2.3
Na4   .3830 .250  .867  2.0
Na5   .0463 .245  .014  2.9
Na6      .5 .492     0  1.9
Na7   .1175 .254  .134  2.5
Na8      .5 .001     0  1.3
Na9   .2507 .265 -.005  4.2
Wat1  .0239 .252  .576  1.3
OH2   .2427 .489  .502   .8
OH3   .1727 .235  .602  1.9
Wat4  .2762 .153  .790  2.5
OH5   .1184 .505  .202  1.9
OH6   .0750 .497  .370  2.5
OH7   .2796 .146  .274  1.3
O8    .2920 .366  .105   .6
OH9   .3813 .491  .802  2.0
OH10  .3661 .256  .186  1.7
OH11  .1327 .258  .806  2.2
OH12  .4244 .493  .632  1.9
O13   .3265 .502  .948  1.4
Wat14 .4133 .496  .216  2.7
Wat15 .3510 .495  .448  3.1
O16   .2081 .127  .852  2.9
Wat17 .1015 .258  .451  2.5
Wat18 .1528 .489  .553  2.9
Wat19 .1602 .261  .226  3.0
O20   .2776 .504  .810  1.6
OH21  .3258 .248  .382  1.6
Wat22 .0855 .505  .783  1.6
Wat23 .3401 .261  .777  1.5
Wat24 .4003 .252  .545  2.3
O25   .2863 .369  .486  1.5
Wat26 .1692 .512  .050  1.8
O27   .2127 .135  .506  1.6
OH28  .4211 .254  .046  4.1
O29   .4593 .114  .885  2.8
O30   .0283 .398  .257  2.9
OH31  .2247 .342  .194  1.9
O32   .4733 .238  .197  2.2
O33   .2187 .339  .726  1.3
O34   .4598 .378  .888  2.6
Wat35 .0255 .394  .798  3.8
O36   .4641 .114  .496  2.6
O37   .4636 .382  .493  2.5
Wat38 .0260 .097  .786  4.0
OH39  .0282 .095  .257  3.6
O40      .5 .241    .5  2.0
Wat41 .0794 .248  .917  2.6
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Mineevite-(Y)
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Yamonva N A, Pushcharovskii D Y, Vyatkin S V, Khomyakov A P
 
Soviet Physics - Crystallography 37 (1992) 753-756
Crystal structure of the new native sulfate-carbonate
Na25BaTR2(CO3)11(HCO3)4(SO4)2F2Cl
Locality: Lovozero pegmatites, Kola peninsula, Russia
Note: OH occupancies chosen to reproduce chemical formula
_database_code_amcsd 0015592
8.811 8.811 37.03 90 90 120 P6_3/m
atom     x     y      z occ Biso
Na1  .0995 .4478  .0333       .5
Na2  .0989 .4497  .3249      1.1
Na3    1/3   2/3  .6916       .3
Na4  .1123 .6707  .6064       .9
Na5   .357  .377    .25       .8
Na6      0     0  .3974       .7
Ba       0     0      0      .48
Y        0     0 .19842 .55  .50
Gd       0     0 .19842 .25  .50
Dy       0     0 .19842  .2  .50
C1    .077  .348  .5465       .3
C2    .355  .072    .25       .2
C3    .069  .316  .6628       .2
S      1/3   2/3  .3930       .1
O1    .251  .113  .0594 .75   .7
OH1   .251  .113  .0594 .25   .7
O2    .224  .088  .1509       .1
O3    .092  .656  .7202       .9
O4    .109  .466  .6493       .5
O5    .186  .025    .25 2/3   .7
OH5   .186  .025    .25 1/3   .7
O6    .332  .038  .5230       .4
O7    .150  .510  .5591 .75   .3
OH7   .150  .510  .5591 .25   .3
O8    .248  .292  .3106       .1
O9    .187  .496  .4058       .9
O10    1/3   2/3  .3519       .2
F      1/3   2/3  .5022       .2
Cl     1/3   2/3    .25       .9
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Kostylevite
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Ilyukhin V V, Khomyakov A P, Shumyatskaya N G, Voronkov A A, Nevskii N N,
Belov N V
 
Soviet Physics Doklady 26 (1981) 118-120
The crystal structure of the new natural zirconosilicate K4Zr2Si6O18*2H2O
Locality: Khibinsk massif, Kola Peninsula, Russia
Note: dimorphic with umbite
Note: y(O7) corrected
_database_code_amcsd 0015609
6.565 13.171 11.727 90 90 105.26 P2_1/b
atom     x     y     z Biso
K1   .7950 .0853 .5484 1.78
K2   .6816 .8849 .8831 3.03
Zr   .1223 .2205 .7834  .72
Si1  .8438 .1557 .0275  .68
Si2  .5885 .1513 .8132  .64
Si3  .7909 .0181 .2357  .61
O1   .8037 .2003 .7470 1.06
O2   .0573 .1920 .9536 1.24
O3   .4391 .2298 .8145 1.20
O4   .1649 .3775 .8129 1.12
O5   .1943 .2557 .6115 1.20
O6   .0770 .0636 .7326 1.21
O7   .6372 .1188 .9436 1.41
O8   .8495 .0525 .1024 1.38
O9   .4662 .0376 .7568 1.01
Wat  .4029 .1243 .4927 2.83
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Grumantite
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Yamnova N Y, Pushcharovsky D Y, Andrianov V I, Rastsvetaeva R K,
Khomyakov A P, Mikheeva M G
 
Soviet Physics Doklady 34 (1989) 284-286
A new type of silicon-oxygen group in the structure of grumantite
Na[Si2O4(OH)]*H2O
Locality: Lovozero massif, Kola Peninsula, Russia
_database_code_amcsd 0015617
15.979 18.25 7.169 90 90 90 Fdd2
atom     x     y     z Biso
Na   .1382 .2385 .8868 1.44
Si1  .1030 .2258 .3753  .56
Si2  .2241 .0907 .3719  .51
O1   .1691 .1618 .4289 1.06
O2   .1589 .0243 .3149  .81
O4   .0413 .1452 .9666  .90
O6   .0140 .1873 .3233  .78
Oh5  .1183 .0253 .9513 1.17
Ow3  .0079 .0843 .6276 1.49
H1    .015  .112   .72  1.5
H2    .010  .120   .54  1.5
H3    .095  .071   .97  1.5
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Dawsonite
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Chinh L T, Pobedimskaya E A, Khomyakov A P
 
Vestnik Moskovskogo Universiteta Geologiya 42 (1987) 74-77
Crystal structure of dawsonite, NaAl(CO3)(OH)2 and its first discovery in the
Khibiny alkaline massiv
Locality: Khibiny alkaline massif, Kola peninsula, Russia
_database_code_amcsd 0015709
6.762 10.428 5.593 90 90 90 I2cm
atom      x      y     z Biso
Na    .7401  .7495   .25 1.87
Al   -.0040      0     0  .69
C    -.0180  .7514   .75  .77
O1   -.0150  .3675   .25 1.42
O2   -.0015  .8149 .5488 1.32
O3    .1682 -.0222   .25  .31
O4    .8004 -.0295   .25 1.68
H1    .2264  .4837   .25
H2    .7649  .4659   .25
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Total number of retrieved datasets: 58
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