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