American Mineralogist Crystal Structure Database

13 matching records for this search.

Howardevansite
Download hom/howardevansite.pdf
Hughes J M, Drexler J W, Campana C F, Malinconico M L
Download am/vol73/AM73_181.pdf
American Mineralogist 73 (1988) 181-186
Howardevansite, NaCuFe2(VO4)3, a new fumarolic sublimate from
Izalco volcano, El Salvador: Descriptive mineralogy and crystal structure
Note: Displacement ellipsoid for Na1 is not positive-definite
_database_code_amcsd 0001138
8.198 9.773 6.6510 103.82 101.99 106.74 P-1
atom      x      y     z occ B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3) B(2,3)
Cu   .78675 .79562 .7765     .00664 .00777  .0072 .00445  .00395 .00525
Fe1  .54817 .39238 .1191      .0037 .00217  .0040 .00145   .0017 .00145
Fe2  .29616 .98522 .4553      .0037 .00238  .0052  .0012   .0016  .0014
V1    .4101 .66723 .3893      .0033 .00146  .0035  .0010  .00145 .00095
V2    .8383 .73926 .2755      .0029 .00186  .0030  .0010  .00145  .0009
V3    .7710 .12589 .0913      .0029 .00194  .0029 .00115   .0015 .00115
Na1       0     .5    .5      .0026  .0314  .0514  .0115   .0144  .0407
Na2   .0234  .5509 -.016  .5  .0089  .0130  .0083  .0065 -.00345 -.0035
O1    .4450  .8570 .4201      .0022  .0017  .0059 .00125    .001  .0007
O2    .4821  .3502 .3713      .0048  .0034  .0049  .0011    .002 .00225
O3    .8014  .5556 .2637      .0056  .0033  .0086  .0021    .003 .00225
O4    .2201  .1642 .5035      .0061  .0036  .0040  .0031    .003 .00255
O5    .2729  .0075 .1599      .0068  .0040  .0045 .00285   .0025 .00275
O6    .4729  .5794 .1701      .0067  .0020  .0032 .00195    .002 .00115
O7    .7287  .7421 .0244      .0056  .0039  .0054 .00235   .0025 .00235
O8    .0552  .8210 .3184      .0040  .0040  .0080 -.0003    .002  .0015
O9    .1981  .5800 .3385      .0037  .0040   .016 .00055    .000  .0025
O10   .9907  .2365 .1897      .0039  .0061  .0080  .0004   .0005  .0025
O11   .7176  .0361 .2674      .0079  .0044  .0042  .0019    .003  .0022
O12   .6592  .2444 .0678      .0065  .0042  .0074  .0036   .0015   .001
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Gagarinite-(Y)
Download hom/gagarinitey.pdf
Hughes J M, Drexler J W
Download cm/vol32/CM32_563.pdf
The Canadian Mineralogist 32 (1994) 563-565
Refinement of the structure of gagarinite-(Y), Nax(CaxREE2-x)F6
_database_code_amcsd 0005407
5.987 5.987 3.5413 90 90 120 P6_3/m
atom     x     y   z  occ  Uiso
Ca     2/3   1/3 .25 .475 .0108
Y      2/3   1/3 .25  .36 .0108
Dy     2/3   1/3 .25  .05 .0108
Gd     2/3   1/3 .25 .045 .0108
Er     2/3   1/3 .25  .02 .0108
Ho     2/3   1/3 .25 .015 .0108
Sm     2/3   1/3 .25 .015 .0108
Yb     2/3   1/3 .25 .005 .0108
Nd     2/3   1/3 .25 .005 .0108
Tb     2/3   1/3 .25 .005 .0108
Ce     2/3   1/3 .25 .005 .0108
Na       0     0   0  .30 .0308
F    .3089 .3933 .25  .90 .0277
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Synchysite-(Ce)
Download hom/synchysitece.pdf
Wang L, Ni Y, Hughes J M, Bayliss P, Drexler J W
Download cm/vol32/CM32_865.pdf
The Canadian Mineralogist 32 (1994) 865-871
The atomic arrangement of synchysite-(Ce), CeCaF(CO3)2
Locality: Mont Saint-Hilaire, Quebec, Canada
_database_code_amcsd 0005411
12.329 7.110 18.741 90 102.68 90 C2/c
atom     x     y     z Biso
Ce1     .5 .2529   .25 1.04
Ce2  .6688 .2531 .7499 1.12
Ca1    .25   .25    .5 2.01
Ca2  .9128 .2499 .5002 1.48
C1    .973  .099  .116  1.2
C2    .397  .100  .386  1.3
C3    .289  .043  .119  1.3
O1    .435  .303 .8794  1.5
O2    .922  .071 .0490  2.2
O3    .948  .055 .1742  1.4
O4    .489  .186 .3802  1.8
O5    .607  .076 .0470  1.6
O6    .670  .052 .1723  1.3
O7    .311  .135 .1786   .9
O8    .705  .134 .8783  2.0
O9    .269  .111 .0534  1.6
F1      .5  .087   .75  1.3
F2   .8402  .087 .7733  1.1
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Redledgeite
Download hom/redledgeite.pdf
Foley J A, Hughes J M, Drexler J W
Download cm/vol35/CM35_1531.pdf
The Canadian Mineralogist 35 (1997) 1531-1534
Redledgeite, Bax([Cr,Fe,V]2xTi8-2x)O16, the I4/m structure and elucidation
of the sequence of tunnel Ba cations
_database_code_amcsd 0005537
10.1500 10.1500 2.9520 90 90 90 I4/m
atom      x      y    z  occ Biso
Ba1       0      0    0 .525 2.14
Ba2       0      0 .195 .018   .5
Ti   .15023 .66609    0      .620
O1    .0401  .3334    0       .74
O2    .2960  .3446    0       .67
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Britholite-(Ce)
Download hom/britholitece.pdf
Noe D C, Hughes J M, Mariano A N, Drexler J W, Kato A
Download zk/vol206/ZK206_233.pdf
Zeitschrift fur Kristallographie 206 (1993) 233-246
The crystal structure of monoclinic britholite-(Ce) and britholite-(Y)
Note: unannealed sample
Locality: the Kipawa syenite gneiss complex
_database_code_amcsd 0011042
9.5804 9.5901 6.9802 90 90 120.079 P2_1
atom     x     y     z occ Biso
Ca1a .3335 .6671 .9860 .19 5.66
Ce1a .3335 .6671 .9860 .81 5.66
Ca1b .3329 .6664 .4884 .71  .03
Ce1b .3329 .6664 .4884 .29  .03
Ca2a .9905 .2412  .244 .40 3.16
Ce2a .9905 .2412  .244 .60 3.16
Ca2b .2407 .2501  .738 .42 3.13
Ce2b .2407 .2501  .738 .58 3.13
Ca2c .2502 .0091  .233 .43 2.98
Ce2c .2502 .0091  .233 .57 2.98
Si1  .0256 .6287   .25      2.1
Si2  .3712 .3980  .249      2.2
Si3  .6024 .9727  .248      2.3
O1a   .837  .511   .23      3.4
O1b   .489  .326  .223      3.0
O1c   .673  .165  .222      2.8
O2a   .405  .872  .269      1.9
O2b   .466  .595  .252      3.2
O2c   .129  .534  .262      2.5
O3a   .635  .902  .043      2.1
O3b   .692  .935  .410      5.8
O3c   .272  .370  .046      2.2
O3d   .239  .309  .417      4.0
O3e   .067  .760  .068      4.9
O3f   .100  .730  .436      2.3
F    -.001  .998  .191 .84  8.2
OH   -.001  .998  .191 .16  8.2
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Britholite-(Ce)
Download hom/britholitece.pdf
Noe D C, Hughes J M, Mariano A N, Drexler J W, Kato A
Download zk/vol206/ZK206_233.pdf
Zeitschrift fur Kristallographie 206 (1993) 233-246
The crystal structure of monoclinic britholite-(Ce) and britholite-(Y)
Note: annealed sample
Locality: the Kipawa syenite gneiss complex
_database_code_amcsd 0011043
9.4932 9.4985 6.9371 90 90 120.038 P2_1
atom      x      y      z occ  Biso
Ca1a .33306 .66670 -.0054 .58  1.17
Ce1a .33306 .66670 -.0054 .42  1.17
Ca1b .33361 .66653  .4934 .63   .89
Ce1b .33361 .66653  .4934 .37   .89
Ca2a .99015 .24053  .2437 .40 1.011
Ce2a .99015 .24053  .2437 .60 1.011
Ca2b .24055 .25039  .7435 .41 1.022
Ce2b .24055 .25039  .7435 .59 1.022
Ca2c .25040 .00989  .2445 .41  .999
Ce2c .25040 .00989  .2445 .59  .999
Si1   .0284  .6296    .25       .70
Si2   .3702  .3985   .243       .72
Si3   .6012  .9715  .2407       .72
O1a   .8354  .5115   .236      1.33
O1b   .4878  .3230   .238      1.40
O1c   .6759  .1642   .253      1.38
O2a   .4056  .8739   .227      1.20
O2b   .4681  .5945   .226       .97
O2c   .1266  .5328   .267       .90
O3a   .6392  .9010  .0538       .85
O3b   .6828  .9237   .420       1.5
O3c   .2613  .3602  .0546       .86
O3d   .2407  .3171   .421       1.7
O3e   .0762  .7581  .0706      1.32
O3f   .0999  .7380  .4395      1.11
F    -.0004  .9995  .2117  .84 2.18
OH   -.0004  .9995  .2117  .16 2.18
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Britholite-(Y)
Download hom/britholitey.pdf
Noe D C, Hughes J M, Mariano A N, Drexler J W, Kato A
Download zk/vol206/ZK206_233.pdf
Zeitschrift fur Kristallographie 206 (1993) 233-246
The crystal structure of monoclinic britholite-(Ce) and britholite-(Y)
Note: unannealed sample
Locality: Suishoyama, Japan
_database_code_amcsd 0011044
9.4216 9.4138 6.7639 90 90 120.0284 P2_1
atom     x     y     z occ Biso
Y1a  .3338 .6662 .0045 .88 2.63
Lu1a .3338 .6662 .0045 .12 2.63
Y1b  .3329 .6670 .5078 .80  .87
Ca1b .3329 .6670 .5078 .20  .87
Y2a  .9947 .2422  .259 .93 1.79
Lu2a .9947 .2422  .259 .07 1.79
Y2b  .2423 .2473  .757 .94 1.75
Lu2b .2423 .2473  .757 .06 1.75
Y2c  .2473 .0050  .257 .93 1.85
Lu2c .2473 .0050  .257 .07 1.85
Si1  .0260 .6270   .25     1.01
Si2  .3727 .3992  .274     1.11
Si3  .6010 .9738  .250     1.12
O1a   .832  .507  .259      2.4
O1b   .491  .322  .275      2.7
O1c   .675  .169  .255      2.4
O2a   .403 .8704  .238      1.6
O2b   .468  .596  .236      1.4
O2c   .130 .5336  .288      1.8
O3a   .628  .896  .062      1.8
O3b   .686  .925  .442      2.3
O3c   .266  .367  .061      1.5
O3d   .237  .310  .438      3.1
O3e   .075  .761  .085      2.3
O3f   .102  .733  .468      1.9
F     .000  .997  .231 .93  5.3
OH    .000  .997  .231 .07  5.3
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Britholite-(Y)
Download hom/britholitey.pdf
Noe D C, Hughes J M, Mariano A N, Drexler J W, Kato A
Download zk/vol206/ZK206_233.pdf
Zeitschrift fur Kristallographie 206 (1993) 233-246
The crystal structure of monoclinic britholite-(Ce) and britholite-(Y)
Note: annealed sample
Locality: Suishoyama, Japan
_database_code_amcsd 0011045
9.3619 9.3636 6.7306 90 90 120.0121 P2_1
atom      x      y     z occ Biso
Y1a   .3330  .6666 .9854 .96 1.35
Ca1a  .3330  .6666 .9854 .04 1.35
Ca1b  .3337  .6667 .4884 .19  .70
Y1b   .3337  .6667 .4884 .81  .70
Y2a  .99496 .24204 .2359 .96  .92
Lu2a .99496 .24204 .2359 .04  .92
Y2b  .24209 .24715 .7374 .95  .98
Lu2b .24209 .24715 .7374 .05  .98
Y2c  .24711 .00505 .2381 .95  .97
Lu2c .24711 .00505 .2381 .05  .97
Si1   .0265  .6282   .25      .64
Si2   .3712  .3981 .2334      .60
Si3   .6017  .9731  .234      .72
O1a   .8320  .5074  .236      1.8
O1b   .4915  .3236  .251      1.9
O1c   .6762  .1686  .242      2.0
O2a   .4026  .8719  .216       .9
O2b   .4689  .5975  .217      1.1
O2c   .1275  .5312  .271      1.1
O3a   .6378  .8998  .048      1.2
O3b   .6897  .9268  .420      1.9
O3c   .2615  .3621  .046       .9
O3d   .2366  .3095  .419      1.9
O3e   .0731  .7632  .070      1.8
O3f   .1013  .7386  .445       .8
F     .0003  .0007  .212 .93  2.4
OH    .0003  .0007  .212 .07  2.4
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Ojuelaite
Download hom/ojuelaite.pdf
Hughes J M, Bloodaxe E S, Kobel K D, Drexler J W
Download mm/vol60/MM60_519.pdf
Mineralogical Magazine 60 (1996) 519-521
The atomic arrangement of ojuelaite, ZnFe(3+)2(AsO4)2(OH)2*4H2O
Locality: Ojuela mine, Mapimi, Mexico
_database_code_amcsd 0014519
10.237 9.662 5.562 90 94.36 90 P2_1/c
atom      x      y      z Biso
Zn        0      0      0  .72
Fe3+ .45554 .13639  .3394  .34
As   .29680 .42866 .32682 .346
O1    .3988  .4860  .1167  .59
O2    .3561  .4900  .5989  .63
O3    .1483  .4926  .2596  .87
O4    .2962  .2545  .3186  .66
OH    .5414  .2323  .0782  .61
Wat1  .1299 -.0937  .2916 1.34
Wat2  .0456  .1930  .1277 1.46
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Hydroxylellestadite
Download hom/hydroxylellestadite.pdf
Hughes J M, Drexler J W
 
Neues Jahrbuch fur Mineralogie, Monatshefte 1991 (1991) 327-336
Cation substitution in the apatite tetrahedral site:
crystal structures of type hydroxylellestadtite and type fermorite
Locality: Crestmore, California, USA
_database_code_amcsd 0014857
9.5224 9.5268 6.9087 90 90 119.9483 P2_1/m
atom       x      y     z occ Biso
Ca1   .33440 .66806 .0019     2.45
Ca2a   .0068  .2471   .25 .76 2.11
Ca2a'  .0049  .2780   .25 .24  2.0
Ca2b   .7516  .7591   .25 .76 2.20
Ca2b'  .7205  .7295   .25 .24  1.7
Ca2c   .2412 -.0057   .25 .76 2.02
Ca2c'  .2735 -.0074   .25 .24  1.7
Si1    .6295  .0301   .25  .5 1.13
S6+1   .6295  .0301   .25  .5 1.09
Si2   -.0297  .5995   .25  .5 1.12
S6+2  -.0297  .5995   .25  .5 1.12
Si3    .4003  .3713   .25  .5 2.12
S6+3   .4003  .3713   .25  .5 2.12
O1a    .3306  .4864   .25     2.17
O1b    .5145  .8442   .25     2.17
O1c    .1546  .6686   .25     2.19
O2a    .5872  .4650   .25     2.28
O2b    .5348  .1224   .25     2.10
O2c    .8786  .4134   .25     2.37
O3a    .3473  .2614 .0700     2.87
O3b    .7398  .0874 .0690     2.77
O3c   -.0863  .6520 .0694     2.85
OH    -.0047 -.0010  .210 .34  2.6
F       .004  -.003   .25 .08  1.9
Cl     .0040  .0003  .340 .12  2.7
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Fermorite
Download hom/fermorite.pdf
Hughes J M, Drexler J W
 
Neues Jahrbuch fur Mineralogie, Monatshefte 1991 (1991) 327-336
Cation substitution in the apatite tetrahedral site:
crystal structures of type hydroxylellestadtite and type fermorite
Locality: Sitipar deposit, India
_database_code_amcsd 0014858
9.5935 9.5966 6.9754 90 90 119.971 P2_1/m
atom       x      y     z  occ Biso
Ca1   .33340 .66663 .0016  .84 1.05
Sr1   .33340 .66663 .0016  .16 1.05
Ca2a  .00702 .25046   .25  .84 1.04
Sr2a  .00702 .25046   .25  .16 1.04
Ca2b  .74963 .75684   .25  .84 1.01
Sr2b  .74963 .75684   .25  .16 1.01
Ca2c  .24318 .99288   .25  .84 1.02
Sr2c  .24318 .99288   .25  .16 1.02
As5+1 .63019 .02816   .25  .49  .65
P1    .63019 .02816   .25  .48  .65
As5+2 .97194 .60212   .25  .49  .66
P2    .97194 .60212   .25  .48  .66
As5+3 .39803 .36981   .25  .49  .65
P3    .39803 .36981   .25  .48  .65
O1a    .3261  .4883   .25      1.57
O1b    .5120  .8377   .25      1.64
O1c    .1625  .6747   .25      1.68
O2a    .5921  .4671   .25      1.90
O2b    .5329  .1250   .25      1.84
O2c    .8750  .4074   .25      1.96
O3a    .3432  .2558 .0667      2.43
O3b    .7446  .0879 .0664      2.37
O3c   -.0875  .6571 .0665      2.40
OH    -.0018 -.0001  .191 .655  2.3
F       .002   .000   .25 .345  2.0
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Britholite-(La)
 
Hughes J M, Mariano A N, Drexler J W
 
Neues Jahrbuch fur Mineralogie, Monatshefte 1992 (1992) 311-319
Crystal structures of synthetic Na-REE-Si oxyapatites, synthetic monoclinic britholite
Locality: synthetic
_database_code_amcsd 0014862
9.678 9.682 7.1631 90 90 120.04 P2_1
atom       x      y      z  occ Biso
La1a  .33267 .66656  .0057 .607  .22
Na1a  .33267 .66656  .0057 .393  .22
La1b  .33415 .66678  .5002 .744 1.04
Na1b  .33415 .66678  .5002 .256 1.04
La2a -.01493 .23465  .2513 .974 .457
Na2a -.01493 .23465  .2513 .026 .457
La2b  .23454 .24954  .7484 .977 .462
Na2b  .23454 .24954  .7484 .023 .462
La2c  .24944 .01482  .2506 .975 .459
Na2c  .24944 .01482  .2506 .025 .459
Si1    .0289  .6287    .25       .35
Si2    .3715  .4004   .248       .33
Si3    .5997  .9708   .252       .37
O1a    .8366  .5165   .245       .85
O1b    .4821  .3200   .261       .77
O1c    .6783  .1623   .243       .88
O2a    .4068  .8779   .267       .70
O2b    .4704  .5933   .238       .72
O2c    .1230  .5304   .267       .73
O3a    .6364  .8985  .0618       .39
O3b    .6811  .9258   .422       1.0
O3c    .2615  .3625   .063       .50
O3d    .2443  .3189   .425        .9
O3e    .0747  .7546   .083        .9
O3f    .1017  .7373   .444       .54
O     -.0007 -.0009   .225  .55  1.9
F     -.0007 -.0009   .225  .45  1.9
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Britholite-(Gd)
 
Hughes J M, Mariano A N, Drexler J W
 
Neues Jahrbuch fur Mineralogie, Monatshefte 1992 (1992) 311-319
Crystal structures of synthetic Na-REE-Si oxyapatites, synthetic monoclinic britholite
Locality: synthetic
_database_code_amcsd 0014863
9.410 9.413 6.8740 90 90 120.01 P2_1
atom       x      y      z  occ Biso
Gd1a  .33358 .66488 -.0003 .636  .41
Na1a  .33358 .66488 -.0003 .364  .41
Gd1b  .33300 .66820  .5005 .821  .88
Na1b  .33300 .66820  .5005 .179  .88
Gd2a -.00843 .23358  .2516 .985 .450
Na2a -.00843 .23358  .2516 .015 .450
Gd2b  .23361 .24200  .7515 .983 .444
Na2b  .23361 .24200  .7515 .017 .444
Gd2c  .24197 .00841  .2531 .980 .426
Na2c  .24197 .00841  .2531 .020 .426
Si1    .0278  .6288    .25       .38
Si2    .3718  .3990   .253       .45
Si3    .6007  .9720   .259       .43
O1a    .8306  .5146   .249      1.04
O1b    .4854  .3164   .264       .93
O1c    .6840  .1689   .258      1.09
O2a    .4016  .8762   .262       .88
O2b    .4739  .5971   .249       .88
O2c    .1252  .5261   .258       .71
O3a    .6405  .8971   .058        .5
O3b    .6796  .9217   .433        .7
O3c    .2555  .3590   .057        .7
O3d    .2422  .3214   .433        .7
O3e    .0794  .7571   .078        .6
O3f    .1042  .7460   .455        .9
O      .0007  .0004   .231  .81 1.40
F      .0007  .0004   .231  .19 1.40
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Total number of retrieved datasets: 13
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