|
Biraite-(Ce) |
| |
Konev A, Pasero M, Pushcharovsky D, Merlino S, Kashaev A, Suvorova L, |
|
Ushchapovskaya Z, Nartova N, Lebedeva Y, Chukanov N |
| |
European Journal of Mineralogy 17 (2005) 715-721 |
|
Biraite-(Ce), Ce2Fe2+(CO3)(Si2O7), a new mineral from Siberia |
|
with a novel structure type |
|
Locality: Biraia deposit, Irkutsk district, Siberia, Russia |
|
_database_code_amcsd 0007129 |
|
6.505 6.744 18.561 90 108.75 90 P2_1/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) |
|
Ce1 .32745 .28119 .23623 .50 .01034 .01036 .00896 .01289 .00082 .00541 .00017 |
|
La1 .32745 .28119 .23623 .28 .01034 .01036 .00896 .01289 .00082 .00541 .00017 |
|
Nd1 .32745 .28119 .23623 .12 .01034 .01036 .00896 .01289 .00082 .00541 .00017 |
|
Pr1 .32745 .28119 .23623 .04 .01034 .01036 .00896 .01289 .00082 .00541 .00017 |
|
Sm1 .32745 .28119 .23623 .01 .01034 .01036 .00896 .01289 .00082 .00541 .00017 |
|
Ca1 .32745 .28119 .23623 .03 .01034 .01036 .00896 .01289 .00082 .00541 .00017 |
|
Na1 .32745 .28119 .23623 .01 .01034 .01036 .00896 .01289 .00082 .00541 .00017 |
|
Ce2 .88569 .86796 .07651 .50 .01232 .01310 .01454 .00968 -.00386 .00415 -.00113 |
|
La2 .88569 .86796 .07651 .28 .01232 .01310 .01454 .00968 -.00386 .00415 -.00113 |
|
Nd2 .88569 .86796 .07651 .12 .01232 .01310 .01454 .00968 -.00386 .00415 -.00113 |
|
Pr2 .88569 .86796 .07651 .04 .01232 .01310 .01454 .00968 -.00386 .00415 -.00113 |
|
Sm2 .88569 .86796 .07651 .01 .01232 .01310 .01454 .00968 -.00386 .00415 -.00113 |
|
Ca2 .88569 .86796 .07651 .03 .01232 .01310 .01454 .00968 -.00386 .00415 -.00113 |
|
Na2 .88569 .86796 .07651 .01 .01232 .01310 .01454 .00968 -.00386 .00415 -.00113 |
|
FeM1 .43356 .5055 .07776 .670 .0193 .0136 .0327 .0117 -.0047 .0041 -.0010 |
|
MnM1 .43356 .5055 .07776 .11 .0193 .0136 .0327 .0117 -.0047 .0041 -.0010 |
|
TiM1 .43356 .5055 .07776 .01 .0193 .0136 .0327 .0117 -.0047 .0041 -.0010 |
|
MgM1 .43356 .5055 .07776 .210 .0193 .0136 .0327 .0117 -.0047 .0041 -.0010 |
|
C .4041 .9858 .0996 .0128 .010 .014 .015 .0024 .0041 .0012 |
|
Si1 .9237 .3573 .0726 .0101 .0113 .0095 .0093 .0004 .0034 .0001 |
|
Si2 .8056 .2869 .2186 .0088 .0075 .0094 .0096 -.0005 .0031 .0001 |
|
O1 .4221 .1286 .0566 .98 .0201 .020 .025 .015 -.0023 .0052 .0041 |
|
F1 .4221 .1286 .0566 .02 .0201 .020 .025 .015 -.0023 .0052 .0041 |
|
O2 .2683 -.0092 .1372 .98 .0151 .0106 .021 .0144 -.0016 .0055 -.0022 |
|
F2 .2683 -.0092 .1372 .02 .0151 .0106 .021 .0144 -.0016 .0055 -.0022 |
|
O3 .5324 .8306 .1091 .98 .0175 .015 .019 .017 .0046 .0041 -.0003 |
|
F3 .5324 .8306 .1091 .02 .0175 .015 .019 .017 .0046 .0041 -.0003 |
|
O4 .9131 .1870 .0112 .98 .0138 .017 .0151 .0097 -.0007 .0048 -.0017 |
|
F4 .9131 .1870 .0112 .02 .0138 .017 .0151 .0097 -.0007 .0048 -.0017 |
|
O5 .1538 .4699 .1064 .98 .0195 .019 .023 .015 -.0089 .0044 -.0027 |
|
F5 .1538 .4699 .1064 .02 .0195 .019 .023 .015 -.0089 .0044 -.0027 |
|
O6 .7266 .5163 .0425 .98 .0155 .016 .015 .016 .0050 .0056 .0030 |
|
F6 .7266 .5163 .0425 .02 .0155 .016 .015 .016 .0050 .0056 .0030 |
|
O7 .8960 .2275 .1464 .98 .0122 .017 .0123 .0103 .0029 .0083 .0017 |
|
F7 .8960 .2275 .1464 .02 .0122 .017 .0123 .0103 .0029 .0083 .0017 |
|
O8 .6591 .1164 .2365 .98 .0119 .0102 .0101 .0164 -.0008 .0057 .0015 |
|
F8 .6591 .1164 .2365 .02 .0119 .0102 .0101 .0164 -.0008 .0057 .0015 |
|
O9 .0266 .3266 .2874 .98 .0135 .0097 .020 .0108 -.0018 .0036 -.0037 |
|
F9 .0266 .3266 .2874 .02 .0135 .0097 .020 .0108 -.0018 .0036 -.0037 |
|
O10 .6369 .4708 .1914 .98 .0132 .016 .0107 .0137 .0038 .0054 .0012 |
|
F10 .6369 .4708 .1914 .02 .0132 .016 .0107 .0137 .0038 .0054 .0012 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Chromphyllite |
| |
Evsyunin V G, Kashaev A A, Rastsvetaeva R K |
| |
Crystallography Reports 42 (1997) 571-574 |
|
Crystal structure of a new representative of Cr micas |
|
Locality: Slyudyanka, Irkutsk, Russia |
|
_database_code_amcsd 0012352 |
|
5.240 9.103 19.93 90 95.59 90 C2/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) |
|
K 0 .0947 .25 .82 1.54 .0132 .0040 .0010 0 .0003 0 |
|
Ba 0 .0947 .25 .14 1.54 .0132 .0040 .0010 0 .0003 0 |
|
Na 0 .0947 .25 .04 1.54 .0132 .0040 .0010 0 .0003 0 |
|
CrM2 .2495 .0833 .0000 .71 1.16 .0096 .0027 .0009 .0000 .0005 .0001 |
|
AlM2 .2495 .0833 .0000 .14 1.16 .0096 .0027 .0009 .0000 .0005 .0001 |
|
MgM2 .2495 .0833 .0000 .09 1.16 .0096 .0027 .0009 .0000 .0005 .0001 |
|
VM2 .2495 .0833 .0000 .06 1.16 .0096 .0027 .0009 .0000 .0005 .0001 |
|
SiT1 .4643 .9272 .1369 .75 .61 .0045 .0010 .0006 .0000 .0001 .0002 |
|
AlT1 .4643 .9272 .1369 .25 .61 .0045 .0010 .0006 .0000 .0001 .0002 |
|
SiT2 .4543 .2569 .1369 .75 .62 .0045 .0010 .0006 .0000 .0001 .0002 |
|
AlT2 .4543 .2569 .1369 .25 .62 .0045 .0010 .0006 .0000 .0001 .0002 |
|
O1 .4374 .0921 .1697 1.2 .0151 .0020 .0008 -.0003 .0010 .0011 |
|
O2 .2405 .3588 .1701 1.2 .0107 .0039 .0006 -.0003 .0004 .0033 |
|
O3 .2405 .8213 .1623 1.3 .0100 .0045 .0008 .0013 -.0004 -.0041 |
|
O4 .4544 .9361 .0547 .9 .0063 .0024 .0006 .0001 .0000 -.0001 |
|
O5 .3983 .2513 .0544 .7 .0076 .0016 .0005 .0002 -.0004 -.0003 |
|
O6 .4521 .5677 .0524 .85 1.0 .0099 .0025 .0006 -.0004 .0007 .0012 |
|
F6 .4521 .5677 .0524 .15 1.0 .0099 .0025 .0006 -.0004 .0007 .0012 |
|
H .082 0 .456 .85 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fersmite |
 |
Gurbanova O A, Rastsvetaeva R K, Kashaev A A, Smolin A S |
| |
Crystallography Reports 46 (2001) 194-195 |
|
Refined crystal structure of TR-fersmite (TR = Ce) |
|
Locality: Ust'-Biran deposit |
|
_database_code_amcsd 0012371 |
|
5.762 14.988 5.246 90 90 90 Pcan |
|
atom x y z occ Biso |
|
CaA .2260 .5 .25 .89 .96 |
|
CeA .2260 .5 .25 .11 .96 |
|
NbB .1827 .1662 .2999 .65 .82 |
|
TiB .1827 .1662 .2999 .35 .82 |
|
O1 .3995 .0886 .4040 1.46 |
|
O2 .4298 .4013 .5110 1.49 |
|
O3 .3650 .2576 .1285 1.30 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Lazurite |
|
Rastsvetaeva R K, Bolotina N B, Sapozhnikov A N, Kashaev A A, Schoenleber A, |
|
Chapuis G |
| |
Crystallography Reports 47 (2002) 404-407 |
|
Average structure of cubic lazurite with a three-dimensional incommensurate |
|
modulation |
|
Locality: Malo-Bystrinskoe deposit, Lake Baikal region, Russia |
|
_database_code_amcsd 0012380 |
|
9.077 9.077 9.077 90 90 90 P23 |
|
atom x y z occ Biso |
|
Na1 .2585 .2585 .2585 .44 4.4 |
|
Na2 .2019 .2019 .2019 .24 3.1 |
|
Na3 .3253 .3253 .3253 .32 5.7 |
|
Na4 .6872 .6872 .6872 .37 6.6 |
|
NaM .7547 .7547 .7547 .216 5.1 |
|
CaM .7547 .7547 .7547 .144 5.1 |
|
Ca .8150 .8150 .8150 .27 5.0 |
|
Si1 .5 .2499 0 .5 3.2 |
|
Al1 .5 .2499 0 .5 3.2 |
|
Si2 .5 0 .2499 .5 3.6 |
|
Al2 .5 0 .2499 .5 3.6 |
|
S1 0 0 0 .51 9.3 |
|
S2 .5 .5 .5 .37 8.1 |
|
OS1 .8996 .8996 .8996 .51 11.4 |
|
OS2 .3930 .3930 .3930 .37 10.4 |
|
S3 .1522 .5 .5 .056 19.3 |
|
Cl3 .1522 .5 .5 .004 19.3 |
|
S4 .2589 0 0 .066 8.7 |
|
Cl4 .2589 0 0 .004 8.7 |
|
S5 .2683 .5 .5 .026 10.3 |
|
Cl5 .2683 .5 .5 .004 10.3 |
|
S6 .1471 0 0 .046 11.6 |
|
Cl6 .1471 0 0 .004 11.6 |
|
O1 .3509 .3512 .0163 7.8 |
|
O2' .1466 .1464 .5355 .68 4.3 |
|
O2" .1508 .1521 .4502 .32 3.2 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Volborthite |
|
Kashaev A A, Bakakin V V |
| |
Doklady Akademii Nauk SSSR 181 (1968) 967-969 |
|
Crystal structure of volborthite Cu3(OH)2V2O7*2H2O |
|
_database_code_amcsd 0018666 |
|
10.60 5.86 7.21 90 95.08 90 C2/m |
|
atom x y z Biso |
|
Cu1 0 0 0 1.4 |
|
Cu2 .25 .25 0 1.4 |
|
V .496 0 .256 1.4 |
|
O1 0 .5 .5 1.4 |
|
O2 .081 .25 .178 1.4 |
|
O3 .345 0 .149 1.4 |
|
OH .154 0 .848 1.4 |
|
Wat .16 0 .45 1.4 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Bystrite |
|
Pobedimskaya E A, Terent'eva L E, Sapozhnikov A N, Kashaev A A, Dorokhova G I |
| |
Doklady Akademii Nauk SSSR 319 (1991) 873-878 |
|
Crystal structure of bystrite |
|
_database_code_amcsd 0012484 |
|
12.859 12.859 10.697 90 90 120 P31c |
|
atom x y z occ Biso |
|
Ca 0 0 0 .94 .86 |
|
Na1 .136 .289 .258 .30 2.06 |
|
K1 .136 .289 .258 .10 2.06 |
|
Na2 .028 .512 .025 .60 1.84 |
|
K2 .028 .512 .025 .20 1.84 |
|
Na3 .388 .192 .777 .45 1.92 |
|
K3 .388 .192 .777 .15 1.92 |
|
Na4 2/3 1/3 .229 .75 2.16 |
|
K4 2/3 1/3 .229 .25 2.16 |
|
Si1 .2538 .2519 .0142 .51 .93 |
|
Al1 .2538 .2519 .0142 .49 .93 |
|
Si2 .6705 .0809 .2597 .51 .50 |
|
Al2 .6705 .0809 .2597 .49 .50 |
|
Si3 .0799 .4149 .7601 .51 .84 |
|
Al3 .0799 .4149 .7601 .49 .84 |
|
Si4 .2571 .0022 .0143 .51 .18 |
|
Al4 .2571 .0022 .0143 .49 .18 |
|
O1 .346 .011 .398 1.83 |
|
O2 .238 .119 -.017 2.71 |
|
O3 .679 .002 .149 .71 |
|
O4 .659 .013 .401 1.45 |
|
O5 .229 .116 .505 1.85 |
|
O6 .074 .539 .740 1.04 |
|
O7 .225 .451 .767 2.23 |
|
O8 -.004 .306 .153 1.91 |
|
S1 .551 .269 .744 .40 3.05 |
|
S2 .582 .276 .527 .23 .74 |
|
S3 .588 .284 -.014 .25 1.49 |
|
S4 .616 .263 .904 .30 2.75 |
|
Cl 0 0 .245 .48 2.24 |
|
Wat9 0 0 .753 .48 1.47 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Odintsovite |
| |
Rastsvetaeva R K, Evsyunin V G, Kashaev A A |
| |
Doklady Chemistry 340 (1995) 49-51 |
|
Crystal structure of a new representative of ring silicates |
|
_database_code_amcsd 0012499 |
|
14.243 13.045 33.4839 90 90 90 *Fddd |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
K .375 .875 .4927 3.1 |
|
Na1 .5193 .2076 .3728 .75 2.3 |
|
Ca1 .5193 .2076 .3728 .25 2.3 |
|
Na2 .375 .875 .375 .75 1.8 |
|
Li2 .375 .875 .375 .25 1.8 |
|
Ca .625 .625 .4798 1.41 |
|
Ti .375 .375 .4180 1.42 |
|
Be .5299 .7576 .4157 1.7 |
|
Si1 .5237 .9793 .4226 1.58 |
|
Si2 .4210 .6087 .5404 1.49 |
|
Si3 .3814 .6175 .4509 1.51 |
|
O1 .4621 .375 .375 1.6 |
|
O2 .4805 .8673 .4215 2.1 |
|
O3 .3764 .7194 .5538 1.9 |
|
O4 .3666 .5271 .4194 2.1 |
|
O5 .5317 .6208 .5378 1.8 |
|
O6 .3899 .5157 .5683 1.6 |
|
O7 .5376 .0323 .3802 2.2 |
|
O8 .4794 .6734 .4439 2.1 |
|
O9 .4578 .0534 .4502 2.1 |
|
O10 .3790 .5746 .4968 1.9 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Volborthite |
|
Kashaev A A, Rozhdestvenskaya I V, Bannova I I, Sapozhnikov A N, Glebova O D |
| |
Journal of Structural Chemistry 49 (2008) 708-711 |
|
Balance, uniformity, and asymmetry of the structure of volborthite |
|
Cu3(OH)2(V2O7)*2H2O |
|
Locality: not given |
|
_database_code_amcsd 0018692 |
|
10.646 5.867 14.432 90 95.19 90 Ia |
|
atom x y z Uiso |
|
Cu1 0 .7492 0 .0076 |
|
Cu2 .24954 0 .49886 .0063 |
|
Cu3 .24380 .4905 .50135 .0088 |
|
V1 .00232 .2738 .87181 .0061 |
|
V2 .49457 .7720 .12562 .0061 |
|
O1 .5705 .0098 .0878 .0087 |
|
O2 -.0678 .5021 .9140 .0140 |
|
O3 .3389 .7459 .5761 .0066 |
|
O4 .1558 .2439 .4252 .0133 |
|
O5 .0772 .4606 .0997 .0136 |
|
O6 .4262 .9532 .8983 .0114 |
|
O7 .5011 .7960 .2483 .0195 |
|
O-H1 .1585 .7517 .9391 .0098 |
|
O-H2 .3438 .2534 .0561 .0046 |
|
OW1 .3193 .2295 .7375 .032 |
|
OW2 .1688 .7522 .2586 .050 |
|
H1 .661 .247 .379 .017 |
|
H2 .352 .242 .138 .018 |
|
H3 .857 .848 .289 .084 |
|
H4 .808 .865 .781 .038 |
|
H5 .625 .167 .201 .063 |
|
H6 .170 .620 .215 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Armstrongite |
|
Kashaev A A, Sapozhnikov A N |
| |
Kristallografiya 23 (1978) 956-961 |
|
Crystal structure of armstrongite |
|
_database_code_amcsd 0014184 |
|
14.04 14.16 7.81 90 109.55 90 C2 |
|
atom x y z Biso |
|
Ca .248 .253 .053 1.3 |
|
Zr .258 0 .024 1.3 |
|
Si1 .174 .139 .338 1.3 |
|
Si2 .202 .368 .345 1.3 |
|
Si3 .342 .363 .743 1.3 |
|
Si4 .337 .143 .718 1.3 |
|
Si5 .002 .005 .299 1.3 |
|
Si6 .008 .491 .294 1.3 |
|
O1 .5 .476 .5 1.3 |
|
O2 0 .492 .5 1.3 |
|
O3 .268 .117 .512 1.3 |
|
O4 .252 .398 .551 1.3 |
|
O5 .212 .102 .176 1.3 |
|
O6 .310 .378 .921 1.3 |
|
O7 .242 .416 .195 1.3 |
|
O8 .282 .110 .862 1.3 |
|
O9 .181 .253 .321 1.3 |
|
O10 .370 .252 .724 1.3 |
|
O11 .061 .103 .325 1.3 |
|
O12 .450 .423 .781 1.3 |
|
O13 .087 .404 .300 1.3 |
|
O14 .443 .091 .735 1.3 |
|
O15 -.090 .476 .114 1.3 |
|
O16 -.116 .028 .176 1.3 |
|
Wat1 .097 .238 .777 1.3 |
|
Wat2 .434 .231 .176 1.3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Volkovskite |
|
Rastsvetaeva R K, Andrianov V I, Genkina E A, Sokolova T N, Kashaev A A |
| |
Kristallografiya 37 (1992) 326-333 |
|
Crystal structure of volkovskite KCa4B22O32(OH)10Cl*4H2O from Nepkii deposit (E. Siberia) |
|
Locality: Eastern Siberia |
|
_database_code_amcsd 0014191 |
|
6.50 23.96 6.62 95.68 119.6 90.59 P1 |
|
atom x y z Biso |
|
K .0227 .0230 .0367 3.58 |
|
Ca1 .8140 .1653 .6591 2.70 |
|
Ca2 .7182 .5818 .3904 2.53 |
|
Ca3 .4972 .9070 .0221 2.60 |
|
Ca4 .1926 .4890 .3451 2.48 |
|
B1 .042 .6116 .082 2.5 |
|
B2 .991 .8903 .108 2.5 |
|
B3 .303 .5999 .903 2.5 |
|
B4 .395 .9171 .427 2.4 |
|
B5 .767 .4715 .840 2.4 |
|
B6 .401 .1609 .155 2.5 |
|
B7 .241 .2651 .562 3.3 |
|
B8 .709 .1544 .058 2.5 |
|
B9 .221 .6127 .508 2.5 |
|
B10 .164 .7010 .331 3.1 |
|
B11 .573 .3701 .172 3.0 |
|
B12 .081 .4806 .748 2.5 |
|
B13 .872 .8044 .820 3.2 |
|
B14 .497 .4596 .006 2.6 |
|
B15 .138 .1719 .336 2.8 |
|
B16 .612 .5905 .803 2.4 |
|
B17 .840 .2894 .748 3.0 |
|
B18 .317 .1791 .763 2.6 |
|
B19 .813 .8979 .686 2.7 |
|
B20 .456 .7827 .983 3.1 |
|
B21 .678 .4582 .433 2.6 |
|
B22 .081 .9106 .519 2.3 |
|
O1 .139 .1532 .539 2.5 |
|
O2 .818 .9152 .905 2.6 |
|
O3 .036 .9164 .702 2.8 |
|
O4 .042 .5874 .280 2.5 |
|
O5 .918 .4879 .523 2.6 |
|
O6 .604 .4678 .610 2.5 |
|
O7 .141 .6033 .676 2.5 |
|
O9 .838 .5891 .856 2.6 |
|
O10 .541 .5987 .969 2.6 |
|
O11 .321 .9156 .591 2.7 |
|
O12 .245 .1670 .934 2.8 |
|
O13 .036 .6730 .111 2.7 |
|
O14 .784 .8357 .639 2.9 |
|
O16 .233 .9143 .195 2.7 |
|
O17 .723 .4752 .020 2.6 |
|
O18 .352 .1559 .333 2.8 |
|
O19 .274 .6724 .523 2.9 |
|
O20 .445 .5829 .571 2.5 |
|
O21 .622 .9214 .487 2.7 |
|
O22 .512 .4837 .227 2.6 |
|
O23 .008 .4723 .908 2.5 |
|
O24 .641 .1587 .227 2.6 |
|
O25 .920 .9014 .290 2.7 |
|
O27 .254 .5960 .078 2.5 |
|
O28 -.018 .8283 .049 2.9 |
|
O30 .555 .1579 .831 2.7 |
|
O31 .936 .1462 .114 2.5 |
|
O32 .130 .2341 .347 2.8 |
|
O33 .337 .2413 .763 3.2 |
|
O34 .701 .3982 .390 2.8 |
|
O37 .307 .4812 .801 2.6 |
|
O42 .461 .3974 .976 2.8 |
|
OH8 .903 .2542 .912 3.4 |
|
OH15 .533 .8172 .183 3.4 |
|
OH26 .369 .8120 .796 3.6 |
|
OH29 .571 .3126 .159 3.9 |
|
OH35 .860 .7473 .772 4.0 |
|
OH36 .244 .3229 .565 3.9 |
|
OH38 .737 .2598 .531 3.6 |
|
OH40 .866 .3462 .791 4.0 |
|
OH41 .187 .7581 .373 4.0 |
|
OH45 .467 .7261 .973 4.2 |
|
Cl .5288 .0224 .0627 3.46 |
|
Wat39 .717 .6778 .386 3.8 |
|
Wat43 .736 .0655 .601 3.7 |
|
Wat44 .276 .0422 .523 4.6 |
|
Wat46 .138 .3936 .249 3.8 |
|
H1 -.01 .243 .05 3.4 |
|
H2 .61 .813 .34 3.4 |
|
H3 .30 .795 .63 3.6 |
|
H4 .48 .289 .02 3.9 |
|
H5 .93 .726 .88 4. |
|
H6 .31 .348 .71 3.9 |
|
H7 .68 .276 .40 3.6 |
|
H8 .78 .355 .65 4. |
|
H9 .09 .777 .27 4. |
|
H10 .39 .709 .81 4.2 |
|
H11 .78 .699 .53 3.8 |
|
H12 .65 .684 .25 3.8 |
|
H13 .58 .058 .57 3.7 |
|
H14 .68 .051 .43 3.7 |
|
H15 .22 .077 .63 4.6 |
|
H16 .33 .027 .67 4.6 |
|
H17 .21 .370 .38 3.8 |
|
H18 .05 .377 .09 3.8 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Lazurite |
|
Evsyunin V G, Sapozhnikov A N, Kashaev A A, Rastsvetaeva R K |
| |
Kristallografiya 42 (1997) 1014-1021 |
|
Crystal structure of triclinic lazurite |
|
Loclaity: Malaya-Bystray deposit, Lake Baikal, Russia |
|
_database_code_amcsd 0014196 |
|
9.067 12.896 25.708 89.98 90.08 90.22 P1 |
|
atom x y z occ Biso |
|
Na1 .8086 .3142 .2489 2.1 |
|
Na2 .3073 .1821 .2498 2.7 |
|
Na3 .1601 .5069 .1545 2.5 |
|
Na4 .1796 .4940 .3444 3.3 |
|
Na5 .6979 .8239 .7478 2.0 |
|
Na6 .2254 .4928 .8619 2.9 |
|
Na7 .2139 .1878 .5063 2.4 |
|
Na8 .2652 .4921 .6358 2.4 |
|
Na9 .8127 .1904 .0037 2.6 |
|
Na10 .2256 .2168 .9982 2.8 |
|
Na11 .3442 .9959 .6583 2.2 |
|
Na12 .8034 .2178 .4976 3.4 |
|
Na13 .1994 .6894 .7487 1.9 |
|
Na14 .6583 .0057 .1585 2.1 |
|
Na15 .8438 .4969 .6568 1.7 |
|
Na16 .8462 .0031 .5978 2.1 |
|
Na17 .1610 .0003 .0093 2.4 |
|
Na18 .7740 .5127 .3600 2.5 |
|
Na19 .7821 .8118 .0051 2.2 |
|
Na20 .8298 .5094 .8424 2.2 |
|
Na21 .1943 .8138 .5047 2.2 |
|
Na22 .1948 .7901 .9953 2.4 |
|
Na23 .7771 .7808 .4957 2.6 |
|
Na24 .7440 .5083 .1352 2.2 |
|
CaM1 .3110 .2432 .7534 .75 1.7 |
|
NaM1 .3110 .2432 .7534 .25 1.7 |
|
CaM2 .7016 .7561 .2520 .55 1.9 |
|
NaM2 .7016 .7561 .2520 .45 1.9 |
|
CaM3 .7575 .0052 .8767 .75 1.6 |
|
NaM3 .7575 .0052 .8767 .25 1.6 |
|
CaM4 .2267 .7595 .2506 .45 1.9 |
|
NaM4 .2267 .7595 .2506 .55 1.9 |
|
CaM5 .7813 .2473 .7510 .25 1.9 |
|
NaM5 .7813 .2473 .7510 .75 1.9 |
|
CaM6 .7184 .0019 .3695 .5 1.5 |
|
NaM6 .7184 .0019 .3695 .5 1.5 |
|
CaM7 .2356 -.0008 .3773 .5 2.6 |
|
NaM7 .2356 -.0008 .3773 .5 2.6 |
|
CaM8 .2816 .9992 .8691 .25 1.9 |
|
NaM8 .2816 .9992 .8691 .75 1.9 |
|
Si1 .2438 .2484 .3738 .8 |
|
Si2 .7485 .2578 .3740 .7 |
|
Si3 .2764 .2581 .8766 .8 |
|
Si4 .5550 .3773 .6883 .8 |
|
Si5 .5042 .8749 .9369 .9 |
|
Si6 .4853 .3742 .1873 .8 |
|
Si7 .9785 .6249 .4402 .7 |
|
Si8 .0482 .1215 .6872 .7 |
|
Si9 .5436 .1211 .5633 .8 |
|
Si10 .0484 .3771 .5604 1.1 |
|
Si11 .2713 .7500 .6254 .9 |
|
Si12 .4637 .6208 .3127 .6 |
|
Si13 .9708 .8759 .3125 .6 |
|
Si14 .9901 .6255 .9347 .8 |
|
Si15 .9890 .3744 .0657 .7 |
|
Si16 .7678 .7517 .6270 .9 |
|
Si17 .7790 .2471 .8781 .5 |
|
Si18 .4826 .8792 .4398 .7 |
|
Si19 .4853 .1269 .0660 .7 |
|
Si20 .5056 .6289 .8095 .8 |
|
Si21 .7086 .7525 .1264 .8 |
|
Si22 .0102 .8755 .8107 .9 |
|
Si23 .2094 .7517 .1224 .8 |
|
Si24 -.0184 .1309 .1869 .6 |
|
Al1 .4953 .1302 .4375 .8 |
|
Al2 .5460 .3828 .8151 .6 |
|
Al3 .0227 .3764 .9416 .9 |
|
Al4 -.0068 .1272 .3106 .8 |
|
Al5 .7949 .2507 .6232 .8 |
|
Al6 .0114 .3757 .4361 .9 |
|
Al7 .2988 .2468 .6261 .8 |
|
Al8 .4971 .3730 .3110 .8 |
|
Al9 .5163 .1265 .9409 .9 |
|
Al10 .7341 .2539 .1266 .7 |
|
Al11 .0318 .1254 .8125 .6 |
|
Al12 .2365 .2469 .1269 .7 |
|
Al13 .7204 .7472 .3761 .8 |
|
Al14 .7525 .7540 .8711 .9 |
|
Al15 .0235 .8713 .6861 .7 |
|
Al16 .5202 .6276 .6858 .9 |
|
Al17 .5204 .8733 .5653 .9 |
|
Al18 .0172 .6283 .5657 .9 |
|
Al19 .2528 .7449 .8737 .9 |
|
Al20 .2214 .7514 .3788 .7 |
|
Al21 .9609 .6248 .0601 1.0 |
|
Al22 -.0399 .8808 .1865 .9 |
|
Al23 .4561 .6226 .1863 .8 |
|
Al24 .4665 .8789 .0630 1.0 |
|
S1 .9854 .0023 .4850 1.5 |
|
S2 .0544 .4668 .7512 1.3 |
|
S3 .5306 .0333 .7621 2.1 |
|
S4 .9562 .5357 .2509 1.9 |
|
S5 .0124 .9983 .9851 1.5 |
|
S6 .4732 -.0303 .2613 2.1 |
|
S7 .554 .484 -.019 .89 26.6 |
|
S8 .436 .621 .022 .82 18.3 |
|
S9 .451 .536 .486 .48 20.8 |
|
S10 .440 .382 .482 .30 10.5 |
|
O1 .5274 .3524 .7511 .8 |
|
O2 .1278 .1506 .1498 1.2 |
|
O3 .0383 .3472 .5023 1.2 |
|
O4 .9530 -.0013 .3240 1.5 |
|
O5 .4315 .4917 .1745 1.8 |
|
O6 .4421 .5004 .3234 1.0 |
|
O7 .5365 .3576 .2473 1.0 |
|
O8 .3528 .290 .3266 1.4 |
|
O9 .6610 .3485 .3454 1.2 |
|
O10 .8357 .1955 .3268 1.2 |
|
O11 .3534 .2986 .1772 .5 |
|
O12 .0389 .3488 .0049 1.5 |
|
O13 .1464 .1592 .3445 1.6 |
|
O14 .1767 .3347 .9084 1.6 |
|
O15 .1877 .1855 .8328 1.7 |
|
O16 .6272 .1529 .1023 1.3 |
|
O17 .9712 .8542 .7509 .9 |
|
O18 .4559 .6434 .7500 1.3 |
|
O19 .1254 .3506 .1051 1.0 |
|
O20 .8721 .6526 .6065 1.4 |
|
O21 -.0693 .0086 .1756 1.4 |
|
O22 .8430 .2030 .1764 .9 |
|
O23 .9088 .1610 .6534 1.5 |
|
O24 .3414 .2012 .0766 1.5 |
|
O25 .6272 .3502 .1503 1.4 |
|
O26 .1896 .3161 .5819 1.9 |
|
O27 .3879 .3298 .8424 1.2 |
|
O28 .0094 .1501 .7479 .8 |
|
O29 .6974 .3182 .6680 1.9 |
|
O30 .6063 .6698 .3398 1.6 |
|
O31 .0371 .1523 .2459 1.3 |
|
O32 .3681 .6522 .6462 1.5 |
|
O33 .5148 .1480 .5052 1.9 |
|
O34 .4339 .0103 .0765 1.5 |
|
O35 .8441 .3029 .0761 1.9 |
|
O36 .6319 .8318 .4180 1.6 |
|
O37 .3309 .1905 .4188 1.1 |
|
O38 .0460 .9934 .8230 1.4 |
|
O39 .1127 .8371 .1554 1.7 |
|
O40 .0725 .4985 .5742 1.5 |
|
O41 .1525 .8076 .8255 1.5 |
|
O42 .6429 .7076 .8231 1.2 |
|
O43 .6866 .1861 .5785 1.7 |
|
O44 .4825 -.0007 .4227 1.4 |
|
O45 .6472 .1712 .4008 1.7 |
|
O46 .6108 .6719 .1590 1.7 |
|
O47 .3554 .6464 .8428 1.7 |
|
O48 .1986 .1799 .6745 1.6 |
|
O49 .3710 .8434 .6032 1.1 |
|
O50 .1119 .8355 .3414 1.4 |
|
O51 .3035 .6907 .1643 1.6 |
|
O52 .1706 .7907 .6726 1.3 |
|
O53 .9827 .8498 .2526 1.5 |
|
O54 .1536 .3420 .3946 1.0 |
|
O55 .8657 .8500 .8424 1.4 |
|
O56 .3923 .1538 .5946 2.0 |
|
O57 .4702 .8581 .5030 1.8 |
|
O58 .8332 .6731 .4130 1.6 |
|
O59 .9350 .4937 .0737 2.0 |
|
O60 .5657 .5005 .6750 1.2 |
|
O61 .8751 .1676 .8445 1.7 |
|
O62 .4018 .3364 .6611 1.1 |
|
O63 .6665 .7093 .6733 1.3 |
|
O64 .8691 .8491 .6479 1.2 |
|
O65 .6715 .7920 .5776 1.5 |
|
O66 .1683 .7095 .5779 1.5 |
|
O67 .6571 .8268 .9180 1.4 |
|
O68 .6661 .1748 .9074 2.0 |
|
O69 .8941 .3458 .5901 1.7 |
|
O70 .0690 -.0005 .6754 1.3 |
|
O71 .3358 .8324 .4123 1.7 |
|
O72 .6170 .8381 .0956 2.0 |
|
O73 .5652 .514 .8229 1.2 |
|
O74 .8174 .8250 .3318 1.7 |
|
O75 .3130 .6736 .3323 1.8 |
|
O76 .5746 -.0014 .5747 1.8 |
|
O77 .0115 .5061 .9240 1.7 |
|
O78 .8067 .6919 .0839 1.9 |
|
O79 .5339 .1504 .0068 2.3 |
|
O80 .7044 .3304 .8390 1.6 |
|
O81 .1252 .6817 .4243 2.4 |
|
O82 .9553 .6552 .9936 2.1 |
|
O83 .8502 .3050 .4173 1.9 |
|
O84 .5125 -.0029 .9233 1.5 |
|
O85 .3534 .1822 .9196 1.4 |
|
O86 .4808 .8598 .9977 2.6 |
|
O87 .8534 .657 .8985 1.6 |
|
O88 .3624 .8346 .9072 2.4 |
|
O89 .8007 .8164 .1683 1.4 |
|
O90 .9853 .5056 .4239 1.8 |
|
O91 .4692 .6502 .2544 1.6 |
|
O92 .8759 .3095 .9200 2.6 |
|
O93 .1406 .6895 .9175 1.6 |
|
O94 .3045 .8154 .0793 1.5 |
|
O95 .9596 .6524 .5019 2.4 |
|
O96 .1110 .6705 .0923 3.4 |
|
O97 .058 .546 .7951 32.7 |
|
O98 .132 -.006 .4641 5.2 |
|
O99 .084 .523 .7041 2.9 |
|
O100 .160 .391 .7612 4.2 |
|
O101 .582 .131 .7424 10.0 |
|
O102 .372 .047 .7807 9.5 |
|
O103 .955 .462 .2946 4.0 |
|
O104 .915 .483 .2052 2.7 |
|
O105 .844 .608 .2613 4.2 |
|
O106 .467 .875 .2404 13.7 |
|
O107 .385 .013 .2989 9.2 |
|
O108 .124 .983 .9461 5.5 |
|
O109 .871 .017 .9601 3.6 |
|
O110 -.096 .419 .7501 3.8 |
|
O111 .099 .581 .2485 3.6 |
|
O112 .876 .011 .4451 4.5 |
|
O113 .958 -.090 .5179 4.0 |
|
O114 .978 .092 .5202 3.6 |
|
O115 .522 .961 .7183 5.6 |
|
O117 .043 .092 .0203 3.6 |
|
O118 .468 .051 .2214 3.8 |
|
O119 .628 .995 .8008 5.6 |
|
O120 .629 .954 .2837 13.8 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Lazurite |
|
Evsyunin V G, Rastsvetaeva R K, Sapozhnikov A N, Kashaev A A |
| |
Kristallografiya 43 (1998) 1057-1060 |
|
Modulated structure of orthorhombic lazurite |
|
Locality: Lyazhvardarinskii deposit, Pamir Mountains, central Asia |
|
_database_code_amcsd 0014197 |
|
9.053 12.837 38.445 90 90 90 Pnaa |
|
atom x y z occ Biso |
|
NaM1 .248 .995 .0893 .30 4.8 |
|
CaM1 .248 .995 .0893 .10 4.8 |
|
CaM2 .274 .7132 .0031 .10 4.2 |
|
NaM2 .274 .7132 .0031 .10 4.2 |
|
Na1 .211 .491 .087 .40 2.8 |
|
Na2 .172 .503 .1020 .60 3.7 |
|
Na3 .231 -.008 .2527 .30 5.6 |
|
Na4 .1543 .4962 .2278 .70 2.2 |
|
Na5 .181 .005 .0696 .60 4.7 |
|
Na6 .202 .790 -.0021 .80 4.4 |
|
Na7 .2992 .1773 .1691 2.9 |
|
Na8 .276 .827 .1741 .085 6.5 |
|
K8 .276 .827 .1741 .085 6.5 |
|
Ca .2124 .7539 .1668 .80 4.2 |
|
Si1 .4779 .3718 .2092 .7 |
|
Si2 .2033 .75 .25 .6 |
|
Si3 .2402 .2465 .0849 1.2 |
|
Si4 .4642 .6216 .1249 1.0 |
|
Si5 .4730 .8788 .0401 .9 |
|
Al1 .2297 .25 .25 .6 |
|
Al2 .4960 .1264 .0431 .9 |
|
Al3 -.0124 .1280 .1263 .7 |
|
Al4 .4556 .6222 .2087 .875 1.0 |
|
Si4 .4556 .6222 .2087 .125 1.0 |
|
Al5 .2210 .7532 .0825 .9 |
|
S1 .4624 .9685 .1629 .81 3.2 |
|
O19 .447 .031 .1929 .80 8.2 |
|
O20 .458 .033 .1346 .80 6.8 |
|
O21 .114 .571 .1597 .84 3.1 |
|
O22 .347 .890 .160 .79 5.8 |
|
S2 .024 -.005 -.0085 .20 3.3 |
|
O23 .071 .906 .009 .23 3.5 |
|
O24 .104 .103 -.0014 .26 2.1 |
|
O25 .359 .511 .040 .24 6.5 |
|
O26 .135 .027 .011 .20 4.7 |
|
S3 .023 .437 .1567 .10 6.9 |
|
S4 .347 .010 .143 .10 8.8 |
|
S5 .083 .974 .026 .10 4.1 |
|
S6 .034 .894 -.014 .13 4.5 |
|
O1 .4232 .4865 .2165 1.4 |
|
O2 .0287 .1429 .1709 1.2 |
|
O3 .0351 .3422 .0002 2.7 |
|
O4 .1064 .8294 .2303 2.8 |
|
O5 .2994 .6853 .2203 2.2 |
|
O6 .1151 .1479 .2339 1.5 |
|
O7 .3381 .2956 .2170 1.2 |
|
O8 -.0187 .8525 .1671 1.8 |
|
O9 .4562 .9920 .0489 1.9 |
|
O10 .1182 .6594 .0584 4.0 |
|
O11 .3389 .1927 .0557 2.1 |
|
O12 .4459 .5018 .1177 1.6 |
|
O13 .3396 .2965 .1168 1.7 |
|
O14 .3242 .8238 .0553 2.3 |
|
O15 .1443 .1592 .1013 1.0 |
|
O16 .1081 .8422 .1064 1.7 |
|
O17 .1398 .3402 .0683 2.5 |
|
O18 .3200 .6826 .1123 2.2 |
|
Cl .085 .052 .026 .09 4.9 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Bismutocolumbite |
|
Zubkova N V, Pushcharovsky D Y, Giester G, Smolin A S, Tillmanns E, |
|
Brandstatter F, Hammer V, Peretyazhko I S, Sapozhnikov A N, Kashaev A A |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 2002 (2002) 145-159 |
|
Bismutocolumbite, Bi(Nb.79Ta.21)O4, stibiocolumbite, Sb(Nb.67Ta.33)O4 and their |
|
structural relation to the other ABO4 minerals with |
|
stibiotantalite (SbTaO4) structure |
|
Locality: Malkhan field, Central Transbaikalia, Russia |
|
_database_code_amcsd 0014918 |
|
5.668 11.725 4.971 90 90 90 Pnna |
|
atom x y z occ Uiso |
|
Bi .25 .5 .7803 .0184 |
|
Nb .3488 .25 .25 .79 .0080 |
|
Ta .3488 .25 .25 .21 .0080 |
|
O1 .1392 .3051 .5046 .0131 |
|
O2 .4143 .0979 .4124 .0092 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Stibiocolumbite |
|
Zubkova N V, Pushcharovsky D Y, Giester G, Smolin A S, Tillmanns E, Brandstatter F, |
|
Hammer V, Peretyazhko I S, Sapozhnikov A N, Kashaev A A |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 2002 (2002) 145-159 |
|
Bismutocolumbite, Bi(Nb.79Ta.21)O4, stibiocolumbite, Sb(Nb.67Ta.33)O4 and their |
|
structural relation to the other ABO4 minerals with |
|
stibiotantalite (SbTaO4) structure |
|
Locality: Mesa Grande, California, USA |
|
_database_code_amcsd 0014919 |
|
5.557 4.932 11.808 90 90 90 Pna2_1 |
|
atom x y z occ Uiso |
|
Sb .52369 .04914 .24729 .0093 |
|
Nb .88867 -.00667 -.00157 .33 .0048 |
|
Ta .88867 -.00667 -.00157 .67 .0048 |
|
O1 .3462 .3313 .1576 .0084 |
|
O2 .8242 .8352 .8477 .0081 |
|
O3 .0845 .7119 .0563 .0106 |
|
O4 .1290 .2270 -.0483 .0117 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cymrite |
|
Drits V A, Kashaev A A, Sokolova G V |
| |
Soviet Physics - Crystallography 20 (1975) 171-175 |
|
Crystal structure of cymrite |
|
Note: Y(O11) corrected |
|
_database_code_amcsd 0015567 |
|
5.33 36.59999 7.67 90 90. 90 P2_1 |
|
atom x y z occ |
|
Ba1 -.0249 -.0015 .0083 |
|
Ba2 .5267 .1235 .0083 |
|
Ba3 .0292 .2485 .0083 |
|
Ba4 .5267 .3735 -.0083 |
|
Al1 .506 .0416 .280 .5 |
|
Si1 .506 .0416 .280 .5 |
|
Al2 .510 .0416 -.270 .5 |
|
Si2 .510 .0416 -.270 .5 |
|
Al3 .0092 .083 .304 .5 |
|
Si3 .0092 .083 .304 .5 |
|
Al4 .0204 .083 -.265 .5 |
|
Si4 .0204 .083 -.265 .5 |
|
Al5 .0292 .167 .302 .5 |
|
Si5 .0292 .167 .302 .5 |
|
Al6 .0283 .167 -.268 .5 |
|
Si6 .0283 .167 -.268 .5 |
|
Al7 .529 .208 .302 .5 |
|
Si7 .529 .208 .302 .5 |
|
Al8 .527 .208 -.260 .5 |
|
Si8 .527 .208 -.260 .5 |
|
Al9 .535 .292 .292 .5 |
|
Si9 .535 .292 .292 .5 |
|
Al10 .528 .292 -.265 .5 |
|
Si10 .528 .292 -.265 .5 |
|
Al11 .0308 .333 .302 .5 |
|
Si11 .0308 .333 .302 .5 |
|
Al12 .0308 .333 -.260 .5 |
|
Si12 .0308 .333 -.260 .5 |
|
Al13 .0304 .417 .300 .5 |
|
Si13 .0304 .417 .300 .5 |
|
Al14 .0204 .417 -.265 .5 |
|
Si14 .0204 .417 -.265 .5 |
|
Al15 .521 .458 .302 .5 |
|
Si15 .521 .458 .302 .5 |
|
Al16 .521 .458 -.267 .5 |
|
Si16 .521 .458 -.267 .5 |
|
O1 .516 .0416 .506 |
|
O2 .0158 .0835 .522 |
|
O3 .0375 .167 .514 |
|
O4 .525 .210 .516 |
|
O5 .536 .290 .516 |
|
O6 .0258 .333 .516 |
|
O7 .0204 .416 .520 |
|
O8 .510 .458 .516 |
|
O9 .474 .000 .194 |
|
O10 .544 -.0006 -.222 |
|
O11 .294 .072 .218 |
|
O12 .218 .050 -.221 |
|
O13 .766 .062 .185 |
|
O14 .750 .064 -.171 |
|
O15 -.0416 .125 .225 |
|
O16 .036 .125 -.180 |
|
O17 .311 .178 .230 |
|
O18 .770 .186 -.180 |
|
O19 .811 .196 .230 |
|
O20 .270 .189 -.180 |
|
O21 .453 .250 .230 |
|
O22 .527 .250 -.185 |
|
O23 .811 .304 .233 |
|
O24 .269 .311 -.174 |
|
O25 .324 .324 .240 |
|
O26 .770 .314 -.180 |
|
O27 -.047 .375 .230 |
|
O28 .025 .375 -.184 |
|
O29 .307 .431 .226 |
|
O30 .770 .436 -.180 |
|
O31 .805 .444 .225 |
|
O32 .267 .439 -.179 |
|
Wat1 -.025 -.002 .387 .5 |
|
Wat2 .527 .124 .387 .5 |
|
Wat3 .029 .248 .387 .5 |
|
Wat4 .527 .374 -.387 .5 |
|
Wat5 -.025 .006 .624 .5 |
|
Wat6 .527 .131 .624 .5 |
|
Wat7 .029 .256 .624 .5 |
|
Wat8 .527 .382 -.624 .5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pyrosmalite-(Mn) |
|
Kashaev A A |
| |
Soviet Physics Crystallography 12 (1968) 923-924 |
|
The crystal structure of pyrosmalite |
|
Locality: Central Kazakhstan |
|
_database_code_amcsd 0018491 |
|
13.37 13.37 7.11 90 90 120 P-3m1 |
|
atom x y z |
|
Mn1 0 0 0 |
|
Mn2 .25 0 0 |
|
Mn3 .25 .75 0 |
|
Mn4 .5 0 0 |
|
Si .097 .430 .393 |
|
O1 .083 .417 .155 |
|
O2 .354 0 .5 |
|
O3 .208 .792 .465 |
|
O4 .431 .569 .465 |
|
OH1 .083 .917 .155 |
|
OH2 .833 .167 .155 |
|
OH3 .583 .417 .155 |
|
Cl 1/3 2/3 .150 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ferronigerite-2N1S |
|
Arakcheeva A V, Pushcharovskii D Y, Rastsvetaeva R K, Kashaev A A, Nadezhina T N |
| |
Kristallografiya 40 (1995) 639-644 |
|
Crystal structure of nigerite-6H |
|
Locality: Eastern Siberia, Irkutsk, Russia |
|
_database_code_amcsd 0018796 |
|
5.717 5.717 13.80 90 90 120 P-3m1 |
|
atom x y z occ Biso |
|
AlM1 0 0 .5 .35 |
|
AlM2 .1691 .3377 .3306 .36 |
|
AlT1 2/3 1/3 .4538 .20 .51 |
|
FeT1 2/3 1/3 .4538 .44 .51 |
|
ZnT1 2/3 1/3 .4538 .36 .51 |
|
AlT2 0 0 .1235 .61 .42 |
|
FeT2 0 0 .1235 .39 .42 |
|
AlM3 .5 0 0 .75 .61 |
|
Sn 2/3 1/3 .1872 .40 |
|
O1 .2938 .1471 .4128 .64 |
|
O2 1/3 2/3 .4027 .52 |
|
O3 0 0 .2592 .43 |
|
O4 .0121 .5061 .2604 .52 |
|
O5 1/3 2/3 .0701 .62 |
|
O6 .3518 .1759 .0846 .99 |
|
H 1/3 2/3 .14 1.00 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
