American Mineralogist Crystal Structure Database

3 matching records for this search.

Esperanzaite
Download hom/esperanzaite.pdf
Foord E E, Hughes J M, Cureton F E, Maxwell C H, Falster A U, Sommer A J, Hlava P F
Download cm/vol37/CM37_67.pdf
The Canadian Mineralogist 37 (1999) 67-72
Esperanzaite, NaCa2Al2(AsO4)2F4(OH).2H2O, a new mineral species from
the La Esperanza mine, Mexico: Descriptive mineralogy and atomic arrangement
Locality: La Esperanza mine, Mexico
_database_code_amcsd 0005592
9.687 10.7379 5.5523 90 105.32 90 P2_1/m
atom      x       y      z occ Biso
As1   .0074     .25  .1397      .67
As2  .54657     .25  .8681      .65
Ca    .3555   .4175  .2602      .87
Al   -.2436   .4108  .2750      .71
Na    .1883     .25 -.2949 .68 1.71
F1    .2191   .4361 -.1665     1.34
F2    .4038   .5319  .6411     1.10
OH    .7260     .25   .382       .8
Wat   .1511   .5406  .3739     1.13
O1    .1848     .25   .267      1.2
O2   -.0601   .3748  .2470     1.15
O3    .4242     .25  1.030       .8
O4    .4710     .25   .564      1.2
O5    .3476   .6224  .0582      .92
O6   -.0320     .25  -.172      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 (permalink)
 
Dickthomssenite
Download hom/dickthomssenite.pdf
Hughes J M, Cureton F E, Marty J, Gault R A, Gunter M E,
Campana C F, Rakovan J F, Sommer A J, Brueseke M E
Download cm/vol39/CM39_1691.pdf
The Canadian Mineralogist 39 (2001) 1691-1700
Dickthomssenite, Mg(V2O6).7H2O, a new mineral species from the Firefly-Pigmay mine, Utah:
Descriptive mineralogy and arrangement of atoms
Locality: Firefly-Pigmay mine, Utah, USA
_database_code_amcsd 0005758
38.954 7.2010 16.3465 90 97.602 90 C2/c
atom      x     y      z Uiso
V1    .1506 .1163  .2101 .008
V2    .0991 .3673  .2912 .009
V3    .1518 .6170  .2117 .009
V4    .0987 .8661  .2904 .009
Mg1   .1255 .6238  .0018 .019
Mg2       0   1/2      0 .021
Mg3     3/4   3/4    1/2 .022
O1    .1132 .1176  .2833 .020
O2    .1364 .3688  .2184 .019
O3    .1157 .6180  .2906 .016
O4    .1346 .8663  .2117 .016
O5    .1895 .1120  .2605 .023
O6    .1547 .1253  .1095 .018
O7    .0607 .3744  .2388 .022
O8    .0930 .6350 -.1086 .015
O9    .1896 .6249  .2653 .023
O10   .1581 .6154  .1119 .015
O11   .0604 .8582  .2377 .024
O12   .0937 .8754  .3903 .022
Ow13  .1435 .8942 -.0206 .026
H13A  .1250 .9576 -.0237 .031
H13B  .1553 .9412  .0218 .031
Ow14  .0900 .7474  .0675 .036
H14A  .0964 .7313  .1188 .044
H14B  .0847 .8543  .0477 .044
Ow15  .1062 .3563  .0191 .025
H15A  .1113 .2898 -.0205 .029
H15B  .0954 .2869  .0492 .029
Ow16  .1607 .4948 -.0646 .038
H16A  .1621 .5505 -.1098 .045
H16B  .1807 .4920 -.0367 .045
Ow17 -.0264 .5035  .0997 .025
H17A -.0332 .6136  .1072 .030
H17B -.0131 .4663  .1420 .030
Ow18  .0416 .3922  .0715 .040
H18A  .0352 .2958  .0953 .048
H18B  .0572 .3634  .0421 .048
Ow19 -.0188 .2306 -.0267 .030
H19A -.0056 .1600  .0052 .036
H19B -.0332 .1581 -.0542 .036
Ow20  .7762 .7523  .4015 .028
H20A  .7723 .6677  .3652 .034
H20B  .7803 .8633  .3878 .034
Ow21  .7918 .8566  .5734 .039
H21A  .7966 .9656  .5586 .046
H21B  .8097 .7911  .5697 .046
Ow22  .7680 .4802  .5271 .030
H22A  .7561 .4064  .4941 .036
H22B  .7829 .4102  .5546 .036
Ow23  .7503 .4161  .2475 .024
H23A  .7684 .4801  .2440 .029
H23B  .7425 .3657  .2018 .029
Ow24  .7748 .2516  .3974 .030
H24A  .7614 .1811  .4204 .036
H24B  .7956 .2169  .3965 .036
Ow25  .9755 .0019  .6015 .028
H25A  .9547 .0393  .6005 .034
H25B  .9887 .0726  .5782 .034
Ow26      0 .3382    3/4 .026
H26   .9814 .3070  .7682 .031
Ow27      0 .8307    3/4 .030
H27   .9926 .8833  .7045 .036
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Hummerite
Download hom/hummerite.pdf
Hughes J M, Schindler M, Rakovan J F, Cureton F E
Download cm/vol40/CM40_1429.pdf
The Canadian Mineralogist 40 (2002) 1429-1435
The crystal structure of hummerite, K Mg(V5O14).8H2O:
Bonding between the [V10O28] structural units and the
{K2Mg2(H2O)16} interstitial complex
_database_code_amcsd 0005792
8.8178 10.7236 11.0707 65.789 74.057 71.853 P-1
atom      x      y      z   Uiso
V1   .67554 .50637 .51942 .01666
V2   .38822 .77792 .45258 .01881
V3   .35314 .54862 .73003 .01796
V4   .69385 .73938 .24167 .02152
V5   .63029 .27648 .79897 .02128
OV1   .2994 .89304 .52256  .0265
OV2   .2848 .83219 .31048  .0222
OV3   .5243 .64321 .59189  .0173
OV4   .7659 .40873 .65734  .0212
OV5   .7965 .61357 .41051  .0215
OV6  .51599 .59950 .37888  .0174
OV7   .2619 .66643 .79624  .0262
OV8   .2222 .42672 .80217  .0217
OV9   .5080 .43901 .83715  .0207
OV10  .5677 .84241 .34664  .0215
OV11  .4542 .19578 .87099  .0235
OV12  .8291  .8273  .1546 .03200
OV13  .7389 .36696 .43906  .0182
OV14  .7376  .1985  .9158  .0328
K    .32958 .90849 .78152 .03728
Mg   .78293 .73370 .78507 .02159
OI1   .9105  .5704  .7195  .0478
HI1A   .878   .526   .698   .039
HI1B   .992   .550   .731   .061
OI2   .6407  .8942  .8556  .0286
HI2A   .646   .963   .820   .050
HI2B   .623   .874   .932   .034
OI3   .0601 1.1546  .5971  .0529
HI3A  -.016  1.148   .622    .12
HI3B   .087  1.225   .583    .09
OI4   .0027  .9361  .8764  .0489
HI4A  -.020   .893   .945    .16
H14B   .001  1.004   .856    .23
OI5   .9203  .6579  .9340  .0326
HI5A   .896   .628  1.003   .057
HI5B  1.012   .652   .934   .087
OI6   .6492  .8212  .6308  .0306
HI6A   .622   .773   .608   .032
HI6B   .673   .866   .571   .074
OI7   .6060  .6259  .8963  .0333
HI7A   .592   .567   .874   .032
HI7B   .583   .606   .973   .040
OI8   .9457  .8538  .6639  .0422
HI8A  1.009   .857   .686    .10
HI8B   .954   .868   .599    .17
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 3
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