|
Bornemanite |
 |
Ferraris G, Belluso E, Gula A, Soboleva S V, Ageeva O A, Borutskii B E |
 |
The Canadian Mineralogist 39 (2001) 1665-1673 |
|
A structure model of the layer titanosilicate bornemanite based on |
|
seidozerite and lomonosovite modules |
|
_database_code_amcsd 0005756 |
|
5.498 7.120 47.95 90 90 88.4 Ib |
|
atom x y z occ Biso |
|
Si1 .440 .124 .280 2 |
|
Si2 .362 .573 .287 2 |
|
Si3 .726 .361 .391 2 |
|
Si4 .675 .783 .399 2 |
|
P .360 .891 .459 2 |
|
Ti1 .175 .088 .405 2 |
|
Ti2 .835 .608 .336 2 |
|
Nb .890 .878 .270 .7 2 |
|
Ti .890 .878 .270 .3 2 |
|
Na1 .283 .285 .332 2 |
|
Na2 .312 .820 .340 2 |
|
Na3 .747 .105 .340 2 |
|
Na4 .785 .400 .265 .75 2 |
|
Mn4 .785 .400 .265 .25 2 |
|
Na5 .180 .587 .408 .75 2 |
|
Mn5 .180 .587 .408 .25 2 |
|
Na6 .980 .560 .464 .65 2 |
|
Ba6 .980 .560 .464 .35 2 |
|
Ba .615 .775 .546 .65 2 |
|
Na .615 .775 .546 .35 2 |
|
O1 .410 .352 .280 2 |
|
O2 .576 .710 .276 2 |
|
O3 .735 .119 .283 2 |
|
O4 .097 .650 .278 2 |
|
O5 .258 -.035 .270 2 |
|
O6 .492 .583 .317 2 |
|
O7 .456 .024 .310 2 |
|
O8 .900 .860 .314 2 |
|
O9 .907 .372 .314 2 |
|
O10 .726 .563 .407 2 |
|
O11 .970 .316 .409 2 |
|
O12 .942 .863 .404 2 |
|
O13 .485 .250 .400 2 |
|
O14 .430 .892 .409 2 |
|
O15 .145 .553 .360 2 |
|
O16 .105 .051 .365 2 |
|
O17 .675 .790 .365 2 |
|
O18 .648 .408 .359 2 |
|
O19 .172 .035 .447 2 |
|
O20 .415 .688 .449 2 |
|
O21 .642 -.109 .460 2 |
|
O22 .268 -.109 .489 2 |
|
|
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|
| |
|
Gjerdingenite-Fe |
| |
Raade G, Ferraris G, Gula A, Ivaldi G |
|
The Canadian Mineralogist 40 (2002) 1629-1639 |
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Gjerdingenite-Fe from Norway, a new mineral species |
|
in the labuntsovite group: Description, crystal |
|
structure and twinning |
|
Locality: Norway |
|
_database_code_amcsd 0005798 |
|
14.529 13.943 7.837 90 117.61 90 C2/m |
|
atom x y z occ Uiso |
|
KB .4307 .0323 .731 .30 .078 |
|
NaB .4307 .0323 .731 .18 .078 |
|
WatB .4307 .0323 .731 .52 .078 |
|
KB' 1/2 .8312 0 .52 .084 |
|
WatB' 1/2 .8312 0 .48 .084 |
|
WatC .0899 0 .335 .85 .079 |
|
KC .0899 0 .335 .14 .079 |
|
CaC .0899 0 .335 .01 .079 |
|
FeD 0 0 1/2 .48 .016 |
|
MnD 0 0 1/2 .38 .016 |
|
NbM1 0 .7676 1/2 .54 .0191 |
|
TiM1 0 .7676 1/2 .43 .0191 |
|
FeM1 0 .7676 1/2 .02 .0191 |
|
ZrM1 0 .7676 1/2 .01 .0191 |
|
NbM2 3/4 3/4 1/2 .54 .0204 |
|
TiM2 3/4 3/4 1/2 .43 .0204 |
|
FeM2 3/4 3/4 1/2 .02 .0204 |
|
ZrM2 3/4 3/4 1/2 .01 .0204 |
|
Si1 .2079 .1091 .7998 .0143 |
|
Si2 .6852 .8897 .7542 .0147 |
|
O1 .9032 .7704 .6113 .017 |
|
O2 .9161 .8822 .3308 .016 |
|
O3 .2598 .8705 .3787 .018 |
|
O4 .2721 .8198 .7334 .018 |
|
O5 .4152 .82098 .3032 .022 |
|
O6 .3557 0 .2710 .012 |
|
O7 .2331 .8721 .0260 .020 |
|
O8 .2422 0 .7844 .020 |
|
Wat 0 .140 0 .102 |
|
|
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|
| |
|
Seidite-(Ce) |
| |
Ferraris G, Belluso E, Gula A, Soboleva S V, Khomyakov A P |
|
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, |
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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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|
| |
|
Ilimaussite-(Ce) |
|
Ferraris G, Gula A, Zubkova N V, Pushcharovsky D Y, |
|
Gobetchiya E R, Pekov I V, Eldjarn K |
|
The Canadian Mineralogist 42 (2004) 787-795 |
|
The crystal structure of ilimaussite-(Ce), |
|
(Ba,Na)10K3Na4.5Ce5(Nb,Ti)[Si12O36][Si9O18(O,OH)24]O6, |
|
and the "ilimaussite" problem |
|
_database_code_amcsd 0005939 |
|
10.770 10.770 61.05 90 90 120 R32 |
|
atom x y z occ Uiso |
|
Ce1 2/3 1/3 -.00005 .85 .027 |
|
Fe1 2/3 1/3 -.00005 .15 .027 |
|
Ce2 1/3 .0005 1/6 2/3 .048 |
|
Fe2 1/3 .0005 1/6 1/3 .048 |
|
Ba1 .0005 .3263 .1001 2/3 .044 |
|
Na1 .0005 .3263 .1001 .22 .044 |
|
K1 .0005 .3263 .1001 .12 .044 |
|
Ba2 1/3 2/3 .0657 .85 .043 |
|
Th2 1/3 2/3 .0657 .15 .043 |
|
Ba3 2/3 1/3 .06561 .95 .037 |
|
K3 2/3 1/3 .06561 .05 .037 |
|
Nb .3439 .3427 .0844 .62 .038 |
|
Ti .3439 .3427 .0844 .33 .038 |
|
Fe .3439 .3427 .0844 .05 .038 |
|
Na1 .489 .485 .0277 .5 .015 |
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Na2 .505 .505 0 .5 .05 |
|
K1 0 0 .0728 .9 .029 |
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Ba1 0 0 .0728 .1 .029 |
|
K2 0 0 0 .8 .042 |
|
Sr2 0 0 0 .1 .042 |
|
Ba2 0 0 0 .1 .042 |
|
Si1 .3254 .168 .0386 .026 |
|
Si2 .1562 .8297 .0387 .021 |
|
Si3 .168 .167 .1302 .5 .016 |
|
Si4 .333 .502 .1292 .5 .017 |
|
Si5 .505 .331 .1292 .5 .018 |
|
O1 .332 .175 .0670 .030 |
|
O2 .486 .489 .0678 .041 |
|
O3 .157 .822 .0673 .033 |
|
O4 .175 .183 .1032 .037 |
|
O5 .328 .473 .1022 .045 |
|
O6 .486 .333 .1023 .040 |
|
O7 .216 -.000 .0300 .039 |
|
O8 .478 .220 .0267 .034 |
|
O9 .264 .783 .0270 .03 |
|
O10 .270 .273 .0281 .029 |
|
OH11 2/3 1/3 .1290 .10 |
|
OH12 .3439 .1962 .1390 .10 |
|
OH13 .4768 .4690 .1360 .10 |
|
OH14 .2077 .3422 .1380 .10 |
|
OH15 0 0 .1290 .15 |
|
OH16 1/6 1/3 .1290 .15 |
|
|
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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 |
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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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|
| |
|
Kristiansenite |
| |
Ferraris G, Gula A, Ivaldi G, Nespolo M, Raade G |
|
Zeitschrift fur Kristallographie 216 (2001) 442-448 |
|
Crystal structure of kristiansenite: a case of class IIB twinning by metric merohedry |
|
Locality: amazonite pegmatite, Heftetjern, Tordal, Telemark, Norway |
|
_database_code_amcsd 0011092 |
|
10.028 8.408 13.339 90.01 109.10 90.00 C1 |
|
atom x y z occ Uiso |
|
Ca1 .3993 .1523 .1310 .0151 |
|
Ca2 .6006 .1491 .8614 .0159 |
|
Ca3 .1012 .9484 .3627 .0169 |
|
Ca4 -.0995 .9453 .6340 .0162 |
|
SnM1 .14016 .5338 .38844 .99 .0062 |
|
FeM1 .14016 .5338 .38844 .01 .0062 |
|
SnM2 .6410 .5633 .8882 .61 .0072 |
|
ScM2 .6410 .5633 .8882 .39 .0072 |
|
SnM3 .3550 .5631 .10884 .30 .0073 |
|
ScM3 .3550 .5631 .10884 .50 .0073 |
|
FeM3 .3550 .5631 .10884 .20 .0073 |
|
SnM4 .8543 .5363 .6089 .17 .0094 |
|
ScM4 .8543 .5363 .6089 .63 .0094 |
|
FeM4 .8543 .5363 .6089 .20 .0094 |
|
Si1 .3735 .7670 .3197 .0078 |
|
Si2 .1653 .8759 .1162 .0068 |
|
Si3 .6285 .7676 .6791 .0087 |
|
Si4 .8327 .8767 .8819 .0070 |
|
Si5 .3320 .2209 .3811 .0070 |
|
Si6 .1285 .3321 .1774 .0069 |
|
Si7 .6652 .2245 .6152 .0069 |
|
Si8 .8710 .3311 .8185 .0077 |
|
O1 .4153 .6096 .2681 .010 |
|
OH2 .5109 .8532 .4011 .005 |
|
O3 .2492 .7342 .3694 .010 |
|
O4 .3008 .8948 .2250 .011 |
|
O5 .1863 .022 .0449 .011 |
|
O6 .1724 .7036 .0651 .013 |
|
O7 .0256 .8987 .1531 .010 |
|
O8 .7483 .7378 .6277 .012 |
|
O9 .5828 .6114 .7298 .011 |
|
O10 .6946 .8965 .7739 .011 |
|
O11 .4873 .8474 .5929 .010 |
|
O12 .8136 .025 -.0464 .010 |
|
O13 .8243 .7016 -.0685 .011 |
|
O14 -.0264 .8947 .8451 .010 |
|
O15 .8112 .579 .4534 .010 |
|
O16 .4760 .2049 .3512 .010 |
|
O17 .3224 .3961 .4316 .010 |
|
O18 .1963 .1992 .2701 .010 |
|
O19 .2403 .3700 .1169 .006 |
|
O20 .0892 .4928 .2305 .009 |
|
O21 -.0158 .2581 .0925 .013 |
|
O22 .1914 .5804 .5431 .008 |
|
O23 .6703 .3974 .5623 .010 |
|
O24 .5204 .2063 .6429 .007 |
|
O25 .8017 .1983 .7242 .010 |
|
O26 -.0871 .4885 .7665 .010 |
|
O27 .7571 .3684 .8773 .010 |
|
OH28 .0140 .2568 -.0960 .015 |
|
|
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|
| |
|
Tsepinite-Ca |
| |
Pekov I V, Chukanov N V, Ferraris G, Gula A, Pushcharovsky D Y, Zadov A E |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 2003 (2003) 461-480 |
|
Tsepinite-Ca,(Ca,K,Na,[])2(Ti,Nb)2(Si4O12)(OH,O)2*4H2O, a new mineral |
|
of the labuntsovite group from the Khibiny alkaline massif, Kola peninsula |
|
- novel disordered sites in the vuoriyarvite-type structure |
|
Locality: Lovchorrite mine, Hackman Valley, Yukspor Mountian, Khibiny massif, |
|
Kola Peninsula, Russia |
|
_database_code_amcsd 0014929 |
|
14.484 14.191 7.907 90 117.26 90 C2/m |
|
atom x y z occ Uiso |
|
NaA .4134 .7401 -.000 .175 .049 |
|
KA .4134 .7401 -.000 .1388 .049 |
|
WatA .4134 .7401 -.000 .0437 .049 |
|
BaA' .5 .657 0 .0875 .23 |
|
WatA' .5 .657 0 .9125 .23 |
|
CaB .432 0 .700 .13 .15 |
|
SrB .432 0 .700 .10 .15 |
|
WatB .432 0 .700 .65 .15 |
|
BaB'1 .5 .829 0 .0158 .12 |
|
WatB'1 .5 .829 0 .3175 .12 |
|
BaB'2 .462 .907 .851 .0079 .02 |
|
WatB'2 .462 .907 .851 .1587 .02 |
|
BaB'3 .462 .849 .847 .0079 .10 |
|
WatB'3 .462 .849 .847 .1587 .10 |
|
SrC .086 0 .330 .07 .10 |
|
WatC .086 0 .330 .93 .10 |
|
CaC' .251 0 .501 .21 .015 |
|
CaD 0 0 .5 .425 .024 |
|
MnD 0 0 .5 .025 .024 |
|
FeD 0 0 .5 .005 .024 |
|
ZnD 0 0 .5 .015 .024 |
|
TiM1 0 .7583 .5 .8 .027 |
|
NbM1 0 .7583 .5 .2 .027 |
|
TiM2 .750 .750 .5 .8 .033 |
|
NbM2 .750 .750 .5 .2 .033 |
|
Si1 .2004 .1114 .7911 .0174 |
|
Si2 .6887 .8894 .7648 .0171 |
|
O1 .9001 .7605 .602 .39 .023 |
|
OH1 .9001 .7605 .602 .61 .023 |
|
O2 .9194 .8626 .326 .040 |
|
O3 .2482 .8605 .342 .037 |
|
O4 .2694 .8334 .709 .037 |
|
O5 .4190 .8331 .308 .044 |
|
O6 .340 0 .254 .049 |
|
O7 .2418 .8689 .014 .037 |
|
O8 .215 0 .762 .045 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Potassicarfvedsonite |
| |
Pekov I V, Chukanov N V, Lebedeva Y S, Pushcharovsky D Y, Ferraris G, Gula A, |
|
Zadov A E, Novakova A A, Petersen O V |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 2004 (2004) 555-574 |
|
Potassicarfvedsonite, KNa2Fe2+4Fe3+Si8O22(OH)2,a K-dominant amphibole of the |
|
arfvedsonite series from agpaitic pegmatites - Mineral data, structure |
|
refinement and disorder in the A site |
|
Locality: Ilimaussaq, Greenland |
|
_database_code_amcsd 0014932 |
|
10.002 18.054 5.319 90 103.90 90 C2/m |
|
atom x y z Uiso occ |
|
KA'm .013 .5 .039 .038 .342 |
|
NaA"m .067 .5 .121 .021 .054 |
|
NaA2 0 .472 0 .034 .054 |
|
Fe2+M1 0 .09102 .5 .00873 .70 |
|
Fe3+M1 0 .09102 .5 .00873 .20 |
|
MnM1 0 .09102 .5 .00873 .10 |
|
Fe2+M2 0 .18388 0 .00721 .58 |
|
Fe3+M2 0 .18388 0 .00721 .39 |
|
Ti4+M2 0 .18388 0 .00721 .03 |
|
Fe2+M3 0 0 0 .00782 .63 |
|
LiM3 0 0 0 .00782 .28 |
|
Fe3+M3 0 0 0 .00782 .09 |
|
NaM4 0 .27795 .5 .0165 |
|
Si1 .27470 .08610 .29088 .00669 |
|
Si2 .28655 .17085 .79998 .00683 |
|
O1 .10992 .09152 .2078 .0096 |
|
O2 .12016 .17285 .7336 .0102 |
|
O3 .1084 0 .7081 .0124 .8 |
|
F3 .1084 0 .7081 .0124 .2 |
|
O4 .3643 .24753 .7991 .0130 |
|
O5 .34497 .12684 .0802 .0107 |
|
O6 .3374 .11819 .5814 .0115 |
|
O7 .3271 0 .2968 .0131 |
|
H .223 0 .771 .07 .8 |
|
|
| Download AMC data (View Text File)
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|
| |
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