|
Margarite-2M1 |
| |
Guggenheim S, Bailey S W |
 |
American Mineralogist 60 (1975) 1023-1029 |
|
Refinement of the margarite structure in subgroup symmetry |
|
_database_code_amcsd 0000477 |
|
5.1038 8.8287 19.148 90 95.46 90 Cc |
|
atom x y z occ Biso |
|
Ca 0 .0932 .25 1.02 |
|
Si1 .4647 .9285 .1416 .5 .99 |
|
Si2 .5364 .0752 .8549 .5 .58 |
|
Si3 .4567 .2572 .1444 .5 .61 |
|
Si4 .5500 .7437 .8573 .5 .97 |
|
Al1 .4647 .9285 .1416 .5 .99 |
|
Al2 .5364 .0752 .8549 .5 .58 |
|
Al3 .4567 .2572 .1444 .5 .61 |
|
Al4 .5500 .7437 .8573 .5 .97 |
|
Al5 .7469 .9187 .9997 .73 |
|
Al6 .2510 .0863 .9998 .55 |
|
H1 .3970 .6370 .0830 .78 |
|
H2 .6030 .3630 .9170 .78 |
|
O1 .9600 .4436 .0512 1.00 |
|
O2 .0460 .5585 .9390 .50 |
|
O3 .3950 .2540 .0568 .90 |
|
O4 .6190 .7489 .9447 .70 |
|
O5 .3670 .0974 .1775 1.10 |
|
O6 .6410 .9167 .8226 .60 |
|
O7 .2660 .7784 .1665 .50 |
|
O8 .7110 .2140 .8304 1.10 |
|
O9 .2870 .3926 .1785 .40 |
|
O10 .7370 .6080 .8211 1.40 |
|
O11 .4480 .5693 .0488 .40 |
|
O12 .5430 .4417 .9468 1.00 |
|
|
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|
| |
|
Zinnwaldite |
 |
Guggenheim S, Bailey S W |
|
American Mineralogist 62 (1977) 1158-1167 |
|
The refinement of zinnwaldite-1M in subgroup symmetry |
|
Note: the sample is from the Sadisdorf Mine dump, East Germany |
|
_database_code_amcsd 0000604 |
|
5.296 9.140 10.096 90 100.83 90 C2 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
K 0 .5028 0 .900 .0181 .0048 .0054 0 .0013 0 |
|
Na 0 .5028 0 .050 .0181 .0048 .0054 0 .0013 0 |
|
Al1 0 -.0069 .5 .0067 .0009 .00236 0 .0013 0 |
|
Fe2 0 .3217 .5 .160 .0050 .0014 .0017 0 .0006 0 |
|
Ti2 0 .3217 .5 .010 .0050 .0014 .0017 0 .0006 0 |
|
Fe2 0 .3217 .5 .770 .0050 .0014 .0017 0 .0006 0 |
|
Mn2 0 .3217 .5 .050 .0050 .0014 .0017 0 .0006 0 |
|
Li6 .5 .1631 .5 .670 .0050 .0012 .0023 0 0 0 |
|
Mg6 .5 .1631 .5 .010 .0050 .0012 .0023 0 0 0 |
|
Si1 .0745 .1688 .2276 .773 .0053 .0010 .0016 .0003 .0003 -.0002 |
|
Al1 .0745 .1688 .2276 .227 .0053 .0010 .0016 .0003 .0003 -.0002 |
|
Si2 .5844 .3323 .2275 .773 .0044 .0009 .0022 .0002 .0006 -.0000 |
|
Al2 .5844 .3323 .2275 .227 .0044 .0009 .0022 .0002 .0006 -.0000 |
|
O1 .0289 -.0002 .1720 .0202 .0021 .0030 .0000 .0002 -.0002 |
|
O2 .3248 .2350 .1725 .0125 .0053 .0029 -.0031 .0019 -.0005 |
|
O22 .8177 .2641 .1597 .0117 .0046 .0031 .0028 .0010 .0007 |
|
O3 .1155 .1748 .3939 .0067 .0019 .0019 .0011 .0008 -.0001 |
|
O33 .6639 .3271 .3928 .0058 .0022 .0022 .0002 .0003 .0000 |
|
F .1089 .4715 .3989 .0108 .0025 .0032 -.0007 .0009 .0005 |
|
|
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|
| |
|
Margarite |
|
Guggenheim S, Bailey S W |
|
American Mineralogist 63 (1978) 186-187 |
|
Refinement of the margarite structure in subgroup symmetry: correction, |
|
further refinement, and comments |
|
_database_code_amcsd 0000615 |
|
5.104 8.829 19.148 90 95.5 90 Cc |
|
atom x y z occ Biso |
|
Ca 0 .0933 .25 .80 |
|
Al1 .7449 .9177 .9996 .53 |
|
Al2 .2488 .0858 -.0003 .44 |
|
Si1 .4623 .9264 .1422 .5 .46 |
|
Al1 .4623 .9264 .1422 .5 .46 |
|
Si2 .4544 .2567 .1445 .5 .22 |
|
Al2 .4544 .2567 .1445 .5 .22 |
|
Si11 .5336 .0739 .8551 .5 .59 |
|
Al11 .5336 .0739 .8551 .5 .59 |
|
Si22 .5467 .7440 .8576 .5 .89 |
|
Al22 .5467 .7440 .8576 .5 .89 |
|
O1 .962 .4445 .0527 .50 |
|
O2 .395 .2544 .0590 .50 |
|
OH1 .449 .5696 .0507 .40 |
|
O3 .366 .0974 .1781 .80 |
|
O4 .267 .7782 .1682 .60 |
|
O5 .289 .3924 .1788 .60 |
|
O11 .045 .5614 .9401 .60 |
|
O22 .618 .7502 .9468 .50 |
|
OH11 .543 .4396 .9482 .80 |
|
O33 .639 .9172 .8236 .50 |
|
O44 .712 .2149 .8323 .60 |
|
O55 .737 .6062 .8217 .70 |
|
|
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View JMOL 3-D Structure
|
| |
|
Pyrophyllite |
|
Lee J H, Guggenheim S |
|
American Mineralogist 66 (1981) 350-357 |
|
Single crystal X-ray refinement of pyrophyllite-1Tc |
|
_database_code_amcsd 0000823 |
|
5.160 8.966 9.347 91.18 100.46 89.64 C-1 |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Al .4995 .16705 -.00008 0.0053 .00165 .00298 -.0005 0.0006 -.00006 |
|
Si1 .7449 -.00303 .29169 0.0057 .00160 .00289 -.0009 0.0006 0.00001 |
|
Si2 .7595 .32577 .29230 0.0057 .00162 .00309 -.0008 0.0009 -.00008 |
|
O1 .6495 .0018 .1155 0.0082 0.0023 0.0031 -.0004 0.0002 -.0001 |
|
O2 .7314 .3079 .1158 0.0068 0.0026 0.0030 -.0008 0.0006 -.0002 |
|
OH .2263 .1927 .1081 0.0080 0.0029 0.0038 0.0005 0.0012 0.0005 |
|
Ob1 .0498 .3891 .3589 0.0078 0.0027 0.0039 -.0021 0.0006 0.0002 |
|
Ob2 .7251 .1637 .3584 0.0113 0.0017 0.0039 -.0008 0.0017 -.0001 |
|
Ob3 .5452 .4426 .3325 0.0061 0.0031 0.0042 0.0002 0.0007 -.0007 |
|
|
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View JMOL 3-D Structure
|
| |
|
Lepidolite-2M2 |
| |
Guggenheim S |
|
American Mineralogist 66 (1981) 1221-1232 |
|
Cation ordering in lepidolite |
|
type 2M(2) from Radkovice |
|
_database_code_amcsd 0000850 |
|
9.023 5.197 20.171 90 99.48 90 C2/c |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
K .5 .4097 .25 .00549 .0152 .001160 0 .00033 0 |
|
Li1 .25 .25 0 .00300 .0070 .000490 .00030 .00040 .00050 |
|
Al1 .58561 .2437 .00005 .325 .00210 .0057 .000500 -.00020 .00018 -.00001 |
|
Li2 .58561 .2437 .00005 .120 .00210 .0057 .000500 -.00020 .00018 -.00001 |
|
Si1 .79426 .4078 .13397 .873 .00182 .0044 .000439 -.00024 .00015 -.00003 |
|
Al1 .79426 .4078 .13397 .127 .00182 .0044 .000439 -.00024 .00015 -.00003 |
|
Si2 .12556 .4136 .13394 .873 .00164 .0049 .000436 -.00008 .00017 0 |
|
Al2 .12556 .4136 .13394 .127 .00164 .0049 .000436 -.00008 .00017 0 |
|
O1 .7676 .3937 .05270 .00570 .0085 .000400 .00060 .0001 -.00010 |
|
O2 .0905 .4261 .05283 .00400 .0132 .000430 .00230 .00007 .00003 |
|
O3 .4468 .4291 .04923 .5 .00600 .0334 .000610 -.00830 .00037 .00020 |
|
F3 .4468 .4291 .04923 .5 .00600 .0334 .000610 -.00830 .00037 .00020 |
|
O4 .7058 .1774 .16634 .00510 .0098 .000900 -.00320 .00043 0 |
|
O5 .2380 .1785 .16219 .00540 .0098 .000730 .00280 .00007 -.00026 |
|
O6 .9716 .3787 .16611 .00240 .0185 .000860 -.00030 .00040 .00020 |
|
|
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View JMOL 3-D Structure
|
| |
|
Lepidolite-1M |
| |
Guggenheim S |
|
American Mineralogist 66 (1981) 1221-1232 |
|
Cation ordering in lepidolite |
|
type 1M from Radkovice |
|
_database_code_amcsd 0000851 |
|
5.209 9.011 10.149 90 100.77 90 C2/m |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
K 0 .5 0 .0190 .00595 .00519 0 .00150 0 |
|
Li1 0 0 .5 .0190 .00500 .00520 0 .00330 0 |
|
Al2 0 .32890 .5 .650 .0062 .00231 .00213 0 .00050 0 |
|
Li2 0 .32890 .5 .280 .0062 .00231 .00213 0 .00050 0 |
|
Si .0810 .1686 .23203 .873 .0065 .00209 .00221 -.00012 .00058 -.00001 |
|
Al .0810 .1686 .23203 .127 .0065 .00209 .00221 -.00012 .00058 -.00001 |
|
O1 .0218 0 .1750 .0199 .0029 .0031 0 -.0001 0 |
|
O2 .3252 .2319 .1680 .0113 .0056 .0038 -.0028 .0016 -.0003 |
|
O3 .1418 .1768 .3945 .0170 .0037 .00223 -.0012 .0004 -.0001 |
|
F .1076 .5 .4017 .0125 .0141 .0030 0 .0011 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Lepidolite-1M |
| |
Guggenheim S |
|
American Mineralogist 66 (1981) 1221-1232 |
|
Cation ordering in lepidolite |
|
Tanakamiyama |
|
_database_code_amcsd 0000852 |
|
5.242 9.055 10.097 90 100.77 90 C2 |
|
atom x y z occ Biso |
|
K 0 .5028 0 2.21 |
|
Li1 0 -.006 .5 0.30 |
|
Al2 0 .3230 .5 0.66 |
|
Li3 .5 .1610 .5 1.30 |
|
Si1 .0756 .1704 .2309 .967 0.85 |
|
Al1 .0756 .1704 .2309 .032 0.85 |
|
Si2 .5863 .3338 .2302 .967 0.87 |
|
Al2 .5863 .3338 .2302 .032 0.87 |
|
O1 .041 .002 .1708 1.53 |
|
O2 .319 .243 .1690 1.60 |
|
O3 .813 .260 .1620 1.40 |
|
O4 .114 .175 .3940 1.10 |
|
O5 .663 .328 .3911 0.90 |
|
F .110 .4729 .3985 .5 1.00 |
|
OH6 .110 .4729 .3985 .5 1.00 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bityite |
|
Lin J C, Guggenheim S |
|
American Mineralogist 68 (1983) 130-142 |
|
The crystal structure of a Li,Be-rich brittle mica: a dioctahedral-trioctahedral |
|
intermediate |
|
Locality: Mops pegmatite, Salisbury district, Zimbabwe |
|
_database_code_amcsd 0000888 |
|
5.058 8.763 19.111 90 95.39 90 Cc |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca1 0 .09104 .25 0.0136 0.0049 0.00040 -.0004 0.0003 -.00010 |
|
Li1 .259 .248 .503 .50 1.1 |
|
Al2 .7458 .9152 .9999 0.0038 0.0012 0.00025 0.0006 0.0000 0.00000 |
|
Al3 .2535 .0847 0 0.0035 0.0017 0.00030 -.0006 0.0003 0.00005 |
|
Al1 .4653 .9238 .1421 .71 0.0052 0.0039 0.00036 -.0016 0.0001 0.00040 |
|
Si1 .4653 .9238 .1421 .05 0.0052 0.0039 0.00036 -.0016 0.0001 0.00040 |
|
Be1 .4653 .9238 .1421 .24 0.0052 0.0039 0.00036 -.0016 0.0001 0.00040 |
|
Al11 .5346 .0768 .8552 .15 0.0042 0.0004 0.00011 0.0008 0.0001 -.00011 |
|
Si11 .5346 .0768 .8552 .81 0.0042 0.0004 0.00011 0.0008 0.0001 -.00011 |
|
Be11 .5346 .0768 .8552 .04 0.0042 0.0004 0.00011 0.0008 0.0001 -.00011 |
|
Al2 .4575 .2535 .1443 .12 0.0039 0.0031 0.00015 -.0007 -.0002 0.00011 |
|
Si2 .4575 .2535 .1443 .88 0.0039 0.0031 0.00015 -.0007 -.0002 0.00011 |
|
Al22 .5436 .7450 .8572 .70 0.0055 0.0003 0.00032 0.0009 0.0001 0.00004 |
|
Be22 .5436 .7450 .8572 .30 0.0055 0.0003 0.00032 0.0009 0.0001 0.00004 |
|
O1 .958 .4397 .0517 0.005 0.0020 0.00012 0.0013 0.0002 0.00010 |
|
O11 .046 .5648 .9402 0.004 0.0028 0.00010 0.0005 0.0002 0.00030 |
|
O2 .400 .2520 .0582 0.007 0.0016 0.00027 0.0006 -.0003 -.00010 |
|
O22 .610 .7492 .9467 0.006 0.0011 0.00030 -.0006 0.0002 0.00020 |
|
O3 .362 .0927 .1750 0.009 0.0033 0.00042 0.0014 0.0001 0.00040 |
|
O33 .642 .9172 .8231 0.007 0.0013 0.00046 -.0015 0.0013 -.00010 |
|
O4 .275 .7753 .1671 0.007 0.0038 0.00038 -.0006 -.0004 0.00010 |
|
O44 .714 .2208 .8313 0.006 0.0016 0.00054 0.0001 0.0001 0.00050 |
|
O5 .291 .3902 .1760 0.005 0.0029 0.00036 0.0014 -.0002 0.00000 |
|
O55 .730 .6034 .8225 0.005 0.0022 0.00044 0.0007 -.0004 -.00040 |
|
OH6 .449 .5704 .0495 0.002 0.0033 0.00031 0.0002 -.0002 -.00040 |
|
OH66 .550 .4345 .9490 0.008 0.0013 0.00041 -.0017 0.0011 0.00000 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Muscovite |
|
Guggenheim S, Chang Y H, Koster van Groos A F |
|
American Mineralogist 72 (1987) 537-550 |
|
Muscovite dehydroxylation: High-temperature studies |
|
Sample: T = 20 deg C, from Diamond mine, Keystone, South Dakota |
|
_database_code_amcsd 0001076 |
|
5.200 9.021 20.07 90 95.71 90 C2/c |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
K 0 .0982 .25 .93 .0147 .0058 .00099 0 .0003 0 |
|
Na 0 .0982 .25 .07 .0147 .0058 .00099 0 .0003 0 |
|
Al .2511 .0836 .0001 .915 .0039 .0022 .00047 -.0010 .0001 .00008 |
|
Fe .2511 .0836 .0001 .08 .0039 .0022 .00047 -.0010 .0001 .00008 |
|
AlT1 .4648 .9294 .13565 .225 .0043 .0018 .00051 -.0004 .0001 .00009 |
|
SiT1 .4648 .9294 .13565 .775 .0043 .0018 .00051 -.0004 .0001 .00009 |
|
AlT2 .4517 .2584 .13545 .225 .0043 .0021 .00047 -.0003 .0001 -.00009 |
|
SiT2 .4517 .2584 .13545 .775 .0043 .0021 .00047 -.0003 .0001 -.00009 |
|
O1 .4170 .0926 .1683 .013 .0029 .0008 -.0007 .0005 -.0001 |
|
O2 .251 .8112 .1582 .012 .0042 .0010 -.0006 .0000 .0006 |
|
O3 .251 .3705 .1690 .010 .0042 .0008 .0026 .0002 -.0001 |
|
O4 .4579 .9438 .0536 .003 .0028 .0008 -.0003 -.0001 .0001 |
|
O5 .3858 .2528 .0537 .007 .0035 .0008 .0004 .0003 .0002 |
|
OH .4565 .5636 .0503 .915 .008 .0037 .0005 -.0011 .0005 -.0002 |
|
F .4565 .5636 .0503 .085 .008 .0037 .0005 -.0011 .0005 -.0002 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Muscovite |
|
Guggenheim S, Chang Y H, Koster van Groos A F |
|
American Mineralogist 72 (1987) 537-550 |
|
Muscovite dehydroxylation: High-temperature studies |
|
Sample: T = 300 deg C, from Diamond mine, Keystone, South Dakota |
|
_database_code_amcsd 0001077 |
|
5.215 9.053 20.15 90 95.72 90 C2/c |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
K 0 .0982 .25 .93 .024 .0090 .0017 0 .0009 0 |
|
Na 0 .0982 .25 .07 .024 .0090 .0017 0 .0009 0 |
|
Al .2511 .0835 .0000 .915 .0072 .0029 .0007 -.0008 .0005 .0002 |
|
Fe .2511 .0835 .0000 .08 .0072 .0029 .0007 -.0008 .0005 .0002 |
|
AlT1 .4645 .9297 .1351 .225 .0058 .0025 .0007 .0000 .0005 .0000 |
|
SiT1 .4645 .9297 .1351 .775 .0058 .0025 .0007 .0000 .0005 .0000 |
|
AlT2 .4514 .2584 .1354 .225 .0059 .0025 .0007 .0000 .0004 .0000 |
|
SiT2 .4514 .2584 .1354 .775 .0059 .0025 .0007 .0000 .0004 .0000 |
|
O1 .423 .0939 .1684 .016 .0045 .0008 -.001 .0001 .0003 |
|
O2 .247 .8127 .1570 .013 .0064 .0014 -.003 -.0002 .0007 |
|
O3 .248 .3675 .1682 .015 .0049 .0014 .003 .0007 .0000 |
|
O4 .461 .9439 .0540 .009 .0042 .0008 .000 .0011 .0004 |
|
O5 .384 .2517 .0530 .010 .0045 .0006 .001 .0003 .0005 |
|
OH .455 .5624 .0505 .915 .010 .0042 .0011 .000 .0010 -.0003 |
|
F .455 .5624 .0505 .085 .010 .0042 .0011 .000 .0010 -.0003 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Muscovite |
|
Guggenheim S, Chang Y H, Koster van Groos A F |
|
American Mineralogist 72 (1987) 537-550 |
|
Muscovite dehydroxylation: High-temperature studies |
|
Sample: T = 20 deg C, from Panasqueira, Portugal |
|
_database_code_amcsd 0001078 |
|
5.1579 8.950 20.071 90 95.75 90 C2/c |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
K 0 .0989 .25 .0166 .0062 .00103 0 .00019 0 |
|
Al .2509 .0836 .00002 .0048 .0021 .00054 -.0004 -.00007 .00004 |
|
AlT1 .4649 .9297 .13481 .227 .0059 .0022 .00053 .0000 -.00004 .00003 |
|
SiT1 .4649 .9297 .13481 .773 .0059 .0022 .00053 .0000 -.00004 .00003 |
|
AlT2 .4516 .2584 .13495 .227 .0062 .0026 .00051 -.0002 -.00015 .00000 |
|
SiT2 .4516 .2584 .13495 .773 .0062 .0026 .00051 -.0002 -.00015 .00000 |
|
O1 .4133 .0924 .1672 .016 .0036 .00080 .0003 .0005 .0001 |
|
O2 .2521 .8099 .1569 .0108 .0058 .00087 -.0021 -.0005 .0003 |
|
O3 .2517 .3712 .1678 .0103 .0049 .00074 .0020 -.0003 -.0003 |
|
O4 .4618 .9435 .0532 .0057 .0028 .00061 .0008 -.0002 .0002 |
|
O5 .3843 .2520 .0532 .0081 .0026 .00052 .0000 .0000 .0002 |
|
OH .4575 .5618 .0499 .94 .0073 .0031 .00063 -.0004 .0001 -.0003 |
|
F .4575 .5618 .0499 .06 .0073 .0031 .00063 -.0004 .0001 -.0003 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Muscovite |
|
Guggenheim S, Chang Y H, Koster van Groos A F |
|
American Mineralogist 72 (1987) 537-550 |
|
Muscovite dehydroxylation: High-temperature studies |
|
Sample: T = 525 deg C, from Panasqueira, Portugal |
|
_database_code_amcsd 0001079 |
|
5.182 8.993 20.232 90 95.75 90 C2/c |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
K 0 .0983 .25 .0348 .0127 .00214 0 .0009 0 |
|
Al .2512 .0833 .00013 .0089 .0034 .00085 -.0005 .00014 .00011 |
|
AlT1 .4644 .9300 .13402 .227 .0094 .0033 .00079 -.0003 .00027 .00014 |
|
SiT1 .4644 .9300 .13402 .773 .0094 .0033 .00079 -.0003 .00027 .00014 |
|
AlT2 .4510 .2589 .13416 .227 .0103 .0037 .00080 -.0003 .00000 .00006 |
|
SiT2 .4510 .2589 .13416 .773 .0103 .0037 .00080 -.0003 .00000 .00006 |
|
O1 .4226 .0933 .1666 .028 .0049 .00121 .0001 .0014 -.0001 |
|
O2 .2451 .8156 .1563 .018 .0097 .00150 -.0043 -.0004 .0008 |
|
O3 .2456 .3664 .1669 .017 .0081 .00123 .0042 -.0006 -.0005 |
|
O4 .4617 .9439 .0531 .010 .0056 .00097 .0012 .0003 .0004 |
|
O5 .3830 .2522 .0530 .015 .0039 .00083 .0009 -.0002 .0003 |
|
OH .4568 .5622 .0497 .94 .011 .0055 .00112 -.0017 .0007 -.0004 |
|
F .4568 .5622 .0497 .06 .011 .0055 .00112 -.0017 .0007 -.0004 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Muscovite |
|
Guggenheim S, Chang Y H, Koster van Groos A F |
|
American Mineralogist 72 (1987) 537-550 |
|
Muscovite dehydroxylation: High-temperature studies |
|
Sample: T = 650 deg C, from Panasqueira, Portugal |
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_database_code_amcsd 0001080 |
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5.189 9.004 20.256 90 95.74 90 C2/c |
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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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K 0 .0985 .25 .041 .0146 .00243 0 .0009 0 |
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Al .2511 .0835 .00002 .0102 .0038 .00094 -.0003 .00017 .00015 |
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AlT1 .4637 .9302 .13393 .227 .0109 .0036 .00086 -.0001 .00037 .00015 |
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SiT1 .4637 .9302 .13393 .773 .0109 .0036 .00086 -.0001 .00037 .00015 |
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AlT2 .4515 .2591 .13383 .227 .0114 .0042 .00091 -.0001 .00005 .00005 |
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SiT2 .4515 .2591 .13383 .773 .0114 .0042 .00091 -.0001 .00005 .00005 |
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O1 .4253 .0931 .1662 .032 .0054 .00133 -.0002 .0013 .0002 |
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O2 .2429 .8178 .1560 .022 .0113 .0016 -.0052 -.0006 .0009 |
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O3 .2451 .3652 .1669 .018 .0097 .00124 .0042 -.0005 -.0007 |
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O4 .4621 .9438 .0530 .012 .0061 .00096 .0010 .0005 .0003 |
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O5 .3822 .2520 .0530 .94 .017 .0043 .00090 .0010 -.0001 .0002 |
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OH .4564 .5624 .0496 .06 .014 .0059 .00120 -.0022 .0013 -.0003 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Norrishite |
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Tyrna P L, Guggenheim S |
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American Mineralogist 76 (1991) 266-271 |
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The crystal structure of norrishite, KLiMn2Si4O12: An oxygen-rich mica |
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_database_code_amcsd 0001348 |
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5.289 8.914 10.062 90 98.22 90 C2/m |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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K 0 .5 0 0.017 0.0050 0.0077 0 0.0020 0 |
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Li1 0 0 .5 0.009 0.004 0.004 0 0.002 0 |
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Mn2 0 .3472 .5 .0039 0.0011 0.0038 0 0.0011 0 |
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Si .0629 .1707 .2270 .0044 0.0012 0.0040 0.0000 0.0008 0.0000 |
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O1 .045 0 .167 0.010 0.0019 0.005 0 0.001 0 |
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O2 .297 .2486 .1615 0.007 0.0040 0.0041 -.0025 0.0006 0.0001 |
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O3 .108 .1787 .3853 0.005 0.0014 0.0044 0.0002 0.0015 -.0002 |
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O4 .109 .5 .396 0.009 0.0015 0.005 0 0.002 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Clinochlore |
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Nelson D O, Guggenheim S |
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American Mineralogist 78 (1993) 1197-1207 |
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Inferred limitations to the oxidation of Fe in chlorite: a high-temperature |
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single-crystal X-ray study |
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T = 550 C |
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_database_code_amcsd 0001619 |
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5.3437 9.256 14.422 90.25 97.28 89.99 C-1 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mg1 0 0 0 .99 .005 .006 .028 .005 .003 -.001 |
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Al1 0 0 0 .01 .005 .006 .028 .005 .003 -.001 |
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Mg2 .0007 .3337 .0000 .99 .005 .004 .029 .004 .004 .000 |
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Al2 .0007 .3337 .0000 .01 .005 .004 .029 .004 .004 .000 |
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Mg3 -.0008 .1670 .5000 .99 .005 .007 .028 .003 .004 .000 |
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Al3 -.0008 .1670 .5000 .01 .005 .007 .028 .003 .004 .000 |
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Al4 0 .5 .5 .67 .027 .035 .047 .002 .005 .000 |
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Fe4 0 .5 .5 .33 .027 .035 .047 .002 .005 .000 |
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SiT1 .2316 .1678 .1914 .755 .004 .007 .024 .003 .003 -.001 |
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AlT1 .2316 .1678 .1914 .245 .004 .007 .024 .003 .003 -.001 |
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SiT2 .7315 .0011 .1914 .755 .006 .010 .028 .006 .004 .000 |
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AlT2 .7315 .0011 .1914 .245 .006 .010 .028 .006 .004 .000 |
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Oh1 .6915 .3332 .0727 .004 .012 .032 .004 .004 .000 |
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Oh2 .1475 -.0007 .4296 .024 .021 .032 -.001 .001 .000 |
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Oh3 .1405 .3346 .4295 .030 .021 .022 .002 .000 -.002 |
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Oh4 .6403 .1630 .4300 .019 .020 .033 .010 .006 -.001 |
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O1 .1949 .1671 .0772 .003 .009 .027 .004 .002 .001 |
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O2 .6938 .0004 .0766 .006 .009 .030 .006 .006 .001 |
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O3 .2212 .3325 .2325 .028 .019 .041 .002 .008 .001 |
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O4 .5079 .0948 .2323 .012 .032 .043 .013 .005 .001 |
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O5 .0102 .0731 .2330 .023 .026 .032 -.006 .005 .000 |
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H1 .232 .848 .142 |
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H2 .167 .977 .360 |
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H3 .115 .305 .367 |
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H4 .616 .149 .365 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Bementite |
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Heinrich A R, Eggleton R A, Guggenheim S |
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American Mineralogist 79 (1994) 91-106 |
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Structure and polytypism of bementite, a modulated layer silicate |
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_database_code_amcsd 0001635 |
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14.838 17.584 14.700 90 95.54 90 P2_1/c |
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atom x y z occ Biso |
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Si1 .921 .467 .199 .6 |
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Si2 .719 .451 .208 .6 |
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Si3 .556 .564 .184 .6 |
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Si4 .990 .626 .170 .6 |
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Si5 .845 .744 .149 .6 |
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Si6 .640 .730 .164 .6 |
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Si7 .494 .843 .160 .6 |
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Si8 .568 .999 .189 .6 |
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Si9 .768 .017 .204 .6 |
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Si10 .299 .807 .173 .6 |
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Si11 .184 .663 .177 .6 |
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Si12 .930 .906 .176 .6 |
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Mn1 0 0 0 .95 .8 |
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Mn2 .224 .025 -.008 .79 .8 |
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Mn3 .434 .069 .023 .96 .8 |
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Mn4 .643 .123 .022 .96 .8 |
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Mn5 .854 .139 .028 .98 .8 |
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Mn6 .081 .176 .045 .85 .8 |
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Mn7 .284 .225 .072 .8 |
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Mn8 .493 .255 .035 .88 .8 |
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Mn9 .723 .293 .038 .8 |
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Mn10 .941 .316 .042 .8 |
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Mn11 .139 .355 .041 .8 |
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Mn12 .359 .397 .002 .99 .8 |
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Mn13 .580 .429 .021 .8 |
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Mn14 .797 .450 .001 .8 |
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Mn15 0 0 .5 .96 .8 |
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O1 .82 .49 .21 1.2 |
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O2 .99 .54 .21 1.2 |
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O3 .96 .41 .28 1.2 |
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O4 .64 .51 .23 1.2 |
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O5 .46 .56 .23 1.2 |
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O6 .59 .65 .20 1.2 |
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O7 .75 .74 .19 1.2 |
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O8 .90 .67 .20 1.2 |
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O9 .90 .82 .19 1.2 |
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O10 .86 .96 .22 1.2 |
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O11 .67 .97 .22 1.2 |
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O12 .49 .93 .19 1.2 |
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O13 .58 .80 .20 1.2 |
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O14 .41 .80 .19 1.2 |
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O15 .24 .74 .21 1.2 |
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O16 .08 .67 .21 1.2 |
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O17 .77 .09 .28 1.2 |
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O18 .73 .39 .29 1.2 |
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O19 .92 .92 .07 1.2 |
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O20 .69 .88 .00 1.2 |
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O21 .49 .85 .05 1.2 |
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O22 .28 .81 .06 1.2 |
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O23 .05 .79 .01 1.2 |
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O24 .83 .75 .04 1.2 |
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O25 .63 .73 .05 1.2 |
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O26 .41 .68 .03 1.2 |
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O27 .18 .65 .07 1.2 |
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O28 .98 .62 .06 1.2 |
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O29 .77 .57 .04 1.2 |
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O30 .54 .54 .08 1.2 |
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O31 .33 .51 .07 1.2 |
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O32 .12 .47 .08 1.2 |
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O33 .92 .43 .09 1.2 |
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O34 .70 .41 .11 1.2 |
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O35 .48 .37 .08 1.2 |
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O36 .28 .34 .11 1.2 |
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O37 .06 .29 .13 1.2 |
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O38 .84 .24 .08 1.2 |
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O39 .63 .22 .10 1.2 |
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O40 .41 .17 .09 1.2 |
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O41 .21 .12 .10 1.2 |
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O42 .98 .10 .07 1.2 |
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O43 .76 .06 .10 1.2 |
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O44 .56 .03 .09 1.2 |
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O45 .35 .98 .07 1.2 |
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O46 .13 .96 .06 1.2 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Parsettensite |
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Eggleton R A, Guggenheim S |
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American Mineralogist 79 (1994) 426-437 |
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The use of electron optical methods to determine the crystal structure of a |
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modulated phyllosilicate: Parsettensite |
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_database_code_amcsd 0001653 |
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39.1 22.84 17.95 90 135.6 90 C2/m |
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atom x y z occ |
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Mn1 .5743 0 .0087 |
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Mn2 .7186 0 .0133 |
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Mn3 0 0 0 |
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Mn4 .8578 0 .0016 |
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Mn5 .5 .0697 0 |
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Mn6 .6475 .0703 .0139 |
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Mn7 .7880 .0700 .0075 |
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Mn8 .9282 .0709 0 |
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Mn9 .5744 .1428 .0079 |
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Mn10 .7173 .1429 .0091 |
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Mn11 .8571 .1430 -.0002 |
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Mn12 0 .1436 0 |
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Mn13 .5 .2135 0 |
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Mn14 .6456 .2135 .0086 |
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Mn15 .7849 .2150 -.0003 |
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Mn16 .9280 .2143 -.0023 |
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Si1 .4725 .0680 .2156 .896 |
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Al1 .4725 .0680 .2156 .104 |
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Si2 .5427 .1343 .2201 .896 |
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Al2 .5427 .1343 .2201 .104 |
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Si3 .6139 .0681 .2284 .896 |
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Al3 .6139 .0681 .2284 .104 |
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Si4 .4043 .1366 .2148 .896 |
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Al4 .4043 .1366 .2148 .104 |
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Si5 .4056 .2723 .2191 .896 |
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Al5 .4056 .2723 .2191 .104 |
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Si6 .4750 .3381 .2203 .896 |
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Al6 .4750 .3381 .2203 .104 |
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Si7 .5436 .2701 .2216 .896 |
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Al7 .5436 .2701 .2216 .104 |
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Si8 .5022 .4316 .3778 .896 |
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Al8 .5022 .4316 .3778 .104 |
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Si9 .6946 .1603 .3800 .896 |
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Al9 .6946 .1603 .3800 .104 |
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Si10 .6549 .2779 .3790 .896 |
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Al10 .6549 .2779 .3790 .104 |
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Si11 .3366 .0679 .2156 .896 |
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Al11 .3366 .0679 .2156 .104 |
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Si12 .2701 .1369 .2192 .896 |
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Al12 .2701 .1369 .2192 .104 |
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Si13 .2030 .0679 .2218 .896 |
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Al13 .2030 .0679 .2218 .104 |
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Si14 .3410 .3428 .2275 .896 |
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Al14 .3410 .3428 .2275 .104 |
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Si15 .2738 .2726 .2275 .896 |
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Al15 .2738 .2726 .2275 .104 |
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Si16 .4251 .4293 .3821 .896 |
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Al16 .4251 .4293 .3821 .104 |
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Si17 .2236 .1549 .3798 .896 |
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Al17 .2236 .1549 .3798 .104 |
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Si18 .2634 .2723 .3810 .896 |
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Al18 .2634 .2723 .3810 .104 |
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O1 .6544 0 .1106 |
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O2 .7980 0 .1086 |
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O3 .9374 0 .0990 |
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O4 .0796 0 .0973 |
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O5 .2215 0 .0931 |
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O6 .3611 0 .0851 |
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O7 .5061 0 .0963 |
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O8 .7269 .0723 .1091 |
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O9 .8670 .0718 .0994 |
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O10 .0078 .0718 .0961 |
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O11 .1515 .0712 .0971 |
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O12 .2913 .0706 .0869 |
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O13 .4325 .0710 .0868 |
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O14 .5801 .0718 .1018 |
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O15 .6544 .1429 .1074 |
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O16 .7963 .1439 .1011 |
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O17 .9366 .1433 .0960 |
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O18 .0796 .1419 .0970 |
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O19 .2219 .1413 .0919 |
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O20 .3621 .1409 .0859 |
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O21 .5056 .1416 .0926 |
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O22 .7248 .2161 .1025 |
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O23 .8638 .2165 .0917 |
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O24 .0078 .2152 .0964 |
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O25 .1518 .2130 .0999 |
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O26 .2946 .2118 .0960 |
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O27 .4344 .2134 .0910 |
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O28 .5799 .2151 .0997 |
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O29 .5191 .1046 .2571 |
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O30 .5868 .0923 .2604 |
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O31 .6624 .1081 .2927 |
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O32 .4505 .0998 .2546 |
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O33 .4196 .2041 .2563 |
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O34 .5192 .2974 .2581 |
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O35 .5 .3958 .2964 |
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O36 .4529 .3058 .2588 |
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O37 .5570 .2020 .2600 |
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O38 .5980 .2976 .2960 |
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O39 .5032 .5 .3542 |
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O40 .4548 .4134 .3531 |
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O41 .6603 .2175 .3403 |
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O42 .4867 0 .2545 |
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O43 .6341 0 .2647 |
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O44 .6853 .3303 .3864 |
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O45 .7245 .1397 .5 |
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O46 .6816 .2668 .5 |
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O47 .5500 .4124 .5 |
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O48 .3155 .0993 .2570 |
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O49 .2497 .1021 .2597 |
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O50 .1997 .1007 .2966 |
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O51 .3827 .1045 .2546 |
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O52 .3195 .3109 .2675 |
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O53 .3699 .4030 .2928 |
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O54 .3837 .3008 .2605 |
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O55 .2885 .2040 .2605 |
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O56 .2639 .2949 .2963 |
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O57 .4284 .5 .3868 |
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O58 .2323 .2119 .3409 |
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O59 .3512 0 .2544 |
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O60 .2185 0 .2601 |
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O61 .2366 .3248 .3847 |
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K1 .0568 .2000 .4750 .313 |
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K2 .1234 0 .4750 .313 |
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K3 .2401 0 .4750 .313 |
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K4 .1151 .3750 .4750 .313 |
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K5 .9234 .2000 .4750 .313 |
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K6 .8568 0 .4750 .313 |
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K7 .7401 0 .4750 .313 |
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K8 .8651 .3750 .4750 .313 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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Stilpnomelane |
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Guggenheim S, Eggleton R A |
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American Mineralogist 79 (1994) 438-442 |
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Stilpnomelane and parsettensite: A distance least squares (DLS) study |
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_database_code_amcsd 0001654 |
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22.20 22.20 17.835 125.03 95.98 120.0 P-1 |
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atom x y z |
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Fe1 .3038 .3533 .5300 |
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Fe2 .2171 .4317 .5217 |
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Fe3 .1335 .2693 .5223 |
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Fe4 .3803 .5102 .5144 |
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Fe5 .0476 .3439 .5155 |
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Fe6 .2153 .1784 .5180 |
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Fe7 .4618 .4217 .5073 |
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Fe8 .2964 .5921 .5125 |
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Fe9 .1295 .5084 .5124 |
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Fe10 .9679 .1768 .5164 |
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Fe11 .0452 .0893 .5095 |
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Fe12 .3828 .2617 .5153 |
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Fe13 .5416 .3321 .4984 |
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Fe14 .2087 .6698 .5035 |
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Fe15 .9637 .4212 .5058 |
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Fe16 .8772 .2541 .5061 |
|
Fe17 .7931 .0841 .5036 |
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Fe18 .8732 -.0021 .4972 |
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Fe19 .2947 .0882 .5075 |
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Fe20 .3747 .0009 .5004 |
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Fe21 .4616 .1711 .5043 |
|
Fe22 .3752 .7519 .5028 |
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Fe23 .2905 .8323 .4992 |
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Fe24 .5420 .0832 .5003 |
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Si1 .2804 .2733 .2901 |
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Si2 .1991 .3526 .2869 |
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Si3 .0380 .2717 .2876 |
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Si4 .9582 .1107 .2882 |
|
Si5 .0390 .0298 .2872 |
|
Si6 .2029 .1141 .2933 |
|
Si7 .4320 .3383 .2681 |
|
Si8 .2744 .5075 .2772 |
|
Si9 .9534 .3451 .2751 |
|
Si10 .7952 .0274 .2841 |
|
Si11 .9530 .8591 .2728 |
|
Si12 .2797 .0268 .2821 |
|
Si13 .5059 .4910 .2552 |
|
Si14 .4306 .5798 .2648 |
|
Si15 .1940 .5873 .2722 |
|
Si16 .0307 .5022 .2684 |
|
Si17 .7899 .2606 .2703 |
|
Si18 .7090 .0993 .2710 |
|
Si19 .7066 .8552 .2678 |
|
Si20 .7872 .7728 .2623 |
|
Si21 .0312 .7741 .2664 |
|
Si22 .1950 .8583 .2716 |
|
Si23 .4366 .0994 .2712 |
|
Si24 .5120 .2557 .2630 |
|
Si25 .8615 .5596 .1301 |
|
Si26 .7219 .5600 .1311 |
|
Si27 .5821 .4205 .1315 |
|
Si28 .5819 .2803 .1309 |
|
Si29 .7212 .2791 .1311 |
|
Si30 .8603 .4191 .1303 |
|
Si31 .5280 .8945 .1308 |
|
Si32 .3877 .8937 .1302 |
|
Si33 .2476 .7543 .1305 |
|
Si34 .2460 .6138 .1309 |
|
Si35 .3865 .6149 .1313 |
|
Si36 .5268 .7543 .1313 |
|
O1 .1801 .2865 .4307 |
|
O2 .1723 .5253 .4153 |
|
O3 .1683 .7695 .4023 |
|
O4 .1737 .0295 .4142 |
|
O5 .2562 .4452 .4209 |
|
O6 .2511 .6855 .4055 |
|
O7 .2526 .9391 .4045 |
|
O8 .2607 .2036 .4273 |
|
O9 .3383 .3627 .4241 |
|
O10 .3346 .6046 .4107 |
|
O11 .3349 .8538 .4056 |
|
O12 .3393 .1123 .4156 |
|
O13 .4188 .2730 .4115 |
|
O14 .4149 .5193 .4087 |
|
O15 .4160 .7686 .4046 |
|
O16 .4199 .0228 .4077 |
|
O17 .4963 .4307 .4015 |
|
O18 .4945 .6794 .3978 |
|
O19 .5024 .9361 .4048 |
|
O20 .5013 .1847 .4037 |
|
O21 .5791 .3430 .3951 |
|
O22 .5732 .5889 .3879 |
|
O23 .5821 .8500 .4016 |
|
O24 .5854 .1016 .4045 |
|
O25 .6673 .2635 .3991 |
|
O26 .6583 .5019 .3836 |
|
O27 .6624 .7626 .3932 |
|
O28 .6708 .0213 .4071 |
|
O29 .7459 .4235 .3895 |
|
O30 .7440 .6735 .3817 |
|
O31 .7507 .9349 .4005 |
|
O32 .7529 .1840 .4038 |
|
O33 .8387 .3502 .4038 |
|
O34 .8292 .5908 .3864 |
|
O35 .8333 .8500 .3950 |
|
O36 .8447 .1116 .4178 |
|
O37 .9233 .2738 .4125 |
|
O38 .9119 .5086 .3899 |
|
O39 .9098 .7599 .3850 |
|
O40 .9231 .0261 .4108 |
|
O41 .0052 .4375 .4087 |
|
O42 .0000 .6807 .3947 |
|
O43 .0057 .9416 .4064 |
|
O44 .0109 .1986 .4221 |
|
O45 .0931 .3635 .4215 |
|
O46 .0843 .5998 .4013 |
|
O47 .0845 .8529 .3994 |
|
O48 .0933 .1160 .4211 |
|
O49 .2221 .1652 .2497 |
|
O50 .2224 .2847 .2468 |
|
O51 .1010 .2826 .2454 |
|
O52 .9801 .1631 .2461 |
|
O53 .9825 .0437 .2459 |
|
O54 .1041 .0438 .2484 |
|
O55 .3366 .2757 .2378 |
|
O56 .2184 .4012 .2405 |
|
O57 .9791 .2800 .2396 |
|
O58 .8596 .0402 .2444 |
|
O59 .9794 .9180 .2382 |
|
O60 .2246 .0444 .2462 |
|
O61 .4506 .2656 .2240 |
|
O62 .4472 .3860 .2210 |
|
O63 .4505 .5083 .2190 |
|
O64 .3340 .5130 .2299 |
|
O65 .2133 .5158 .2339 |
|
O66 .0955 .5187 .2293 |
|
O67 .9789 .3957 .2311 |
|
O68 .8550 .2722 .2316 |
|
O69 .7323 .1525 .2297 |
|
O70 .7398 .0396 .2371 |
|
O71 .7369 .9153 .2348 |
|
O72 .7298 .7871 .2239 |
|
O73 .8542 .7927 .2268 |
|
O74 .9784 .7933 .2288 |
|
O75 .0964 .7883 .2280 |
|
O76 .2166 .9163 .2361 |
|
O77 .3399 .0380 .2357 |
|
O78 .4575 .1496 .2265 |
|
O79 .5613 .2572 .2012 |
|
O80 .5576 .4843 .1969 |
|
O81 .4368 .6137 .2033 |
|
O82 .2105 .6185 .2080 |
|
O83 .9605 .4907 .2054 |
|
O84 .7324 .2618 .2071 |
|
O85 .6077 .0133 .2058 |
|
O86 .6055 .7811 .2033 |
|
O87 .7300 .6563 .2005 |
|
O88 .9616 .6575 .2044 |
|
O89 .2115 .7845 .2070 |
|
O90 .4405 .0130 .2062 |
|
O91 .8454 .4906 .1493 |
|
O92 .8134 .5970 .1667 |
|
O93 .6728 .4951 .1548 |
|
O94 .5846 .3685 .1677 |
|
O95 .6718 .3164 .1519 |
|
O96 .8124 .3669 .1665 |
|
O97 .5555 .8551 .1674 |
|
O98 .4544 .8839 .1501 |
|
O99 .3266 .8546 .1665 |
|
O100 .2782 .7082 .1495 |
|
O101 .3249 .6255 .1671 |
|
O102 .4546 .7107 .1531 |
|
O103 .8241 .4906 .0000 |
|
O104 .6683 .4881 .0000 |
|
O105 .5125 .3321 .0000 |
|
O106 .5102 .1776 .0000 |
|
O107 .6673 .1761 .0000 |
|
O108 .8230 .3314 .0000 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Clinochlore |
|
Guggenheim S, Zhan W |
|
American Mineralogist 84 (1999) 1415-1421 |
|
Crystal structures of two partially dehydrated chlorites: The "modified" |
|
chlorite structure |
|
Sample: chromian clinochlore-IIb-4 |
|
Note: The sites labeled I are of undetermined occupancies. |
|
_database_code_amcsd 0002313 |
|
5.368 9.297 14.215 89.86 97.15 89.98 C-1 |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg1 0 0 0 .99 .004 .008 .084 -.0029 .010 .001 |
|
Al1 0 0 0 .01 .004 .008 .084 -.0029 .010 .001 |
|
Mg2 .0005 .3336 -.0002 .99 .0059 .0097 .086 -.0023 .010 -.0003 |
|
Al2 .0005 .3336 -.0002 .01 .0059 .0097 .086 -.0023 .010 -.0003 |
|
Si1 .2297 .1662 .1933 .76 .0119 .0161 .081 -.0024 .009 .001 |
|
Al1 .2297 .1662 .1933 .24 .0119 .0161 .081 -.0024 .009 .001 |
|
Si2 .2311 .4989 .1934 .76 .0119 .0175 .077 -.0016 .010 .001 |
|
Al2 .2311 .4989 .1934 .24 .0119 .0175 .077 -.0016 .010 .001 |
|
O1 .1920 .1662 .0767 .009 .013 .684 -.003 .010 .000 |
|
O2 .6924 -.0005 .0775 .011 .014 .088 -.002 .008 -.002 |
|
O3 .208 .3321 .2348 .044 .027 .118 -.003 .002 .003 |
|
O4 .513 .1010 .2344 .025 .048 .112 .008 .020 .012 |
|
O5 .013 .0652 .2338 .023 .048 .097 -.022 .020 -.009 |
|
OH6 .6919 .3326 .0754 .012 .015 .099 -.002 .011 -.000 |
|
I1 .186 .333 .575 .072 .085 .105 .001 .017 .004 |
|
I2 .194 -.005 .574 .075 .067 .098 .003 .013 .000 |
|
I3 .198 .666 .597 .072 .076 .135 -.007 .022 -.006 |
|
I4 .129 .6660 .3874 .025 .030 .132 -.004 .015 -.002 |
|
I5 .138 .3338 .410 .022 .029 .193 .002 .014 .004 |
|
I6 .138 .0018 . 411 .026 .026 .207 -.002 .035 -.011 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Clinochlore |
|
Guggenheim S, Zhan W |
|
American Mineralogist 84 (1999) 1415-1421 |
|
Crystal structures of two partially dehydrated chlorites: The "modified" |
|
chlorite structure |
|
Sample: chromian clinochlore-IIb-2 |
|
Note: The sites labeled I are of undetermined occupancies. |
|
_database_code_amcsd 0002314 |
|
5.372 9.291 14.270 90 97.34 90 C2/m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg1 0 0 0 .99 .013 .007 .096 0 .003 0 |
|
Al1 0 0 0 .01 .013 .007 .096 0 .003 0 |
|
Mg2 0 .3331 0 .99 .015 .0080 .098 0 .002 0 |
|
Al2 0 .3331 0 .01 .015 .0080 .098 0 .002 0 |
|
Si .2323 .1673 .1934 .76 .0238 .0163 .093 .0005 .0022 .0006 |
|
Al .2323 .1673 .1934 .24 .0238 .0163 .093 .0005 .0022 .0006 |
|
O1 .1937 .1668 .0768 .020 .015 .105 .000 .002 .001 |
|
O2 .208 0 .2357 .058 .022 .116 0 -.011 0 |
|
O3 .5145 .2303 .2351 .043 .047 .140 -.012 .010 -.008 |
|
OH4 .1909 .5 .0752 .020 .014 .127 0 .004 0 |
|
I1 .129 0 .388 .042 .044 .151 0 .007 0 |
|
I2 .195 .664 .5747 .089 .084 .110 -.004 -.013 .007 |
|
I3 .133 .3321 .4096 .041 .038 .215 .003 .025 .013 |
|
I4 .198 0 .596 .103 .088 .106 0 -.004 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Lizardite-1T |
| |
Guggenheim S, Zhan W |
|
The Canadian Mineralogist 36 (1998) 1587-1594 |
|
Effect of temperature on the structures of lizardite-1T and lizardite-2H1 |
|
Sample: T = 20 C |
|
_database_code_amcsd 0005583 |
|
5.326 5.326 7.288 90 90 120 P31m |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg .3318 0 .455 .003 .003 .022 .0015 -.002 0 |
|
Si 1/3 2/3 .074 .0065 .0065 .026 .00325 0 0 |
|
H1 .583 0 .732 |
|
H2 0 0 .197 |
|
O1 1/3 2/3 .2911 .003 .003 .036 .0015 0 0 |
|
O2 .507 0 -.008 .014 .007 .021 .0035 -.002 0 |
|
O3 .664 0 .588 .009 .008 .022 .004 -.002 0 |
|
O4 0 0 .304 .008 .008 .013 .004 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Lizardite-1T |
| |
Guggenheim S, Zhan W |
|
The Canadian Mineralogist 36 (1998) 1587-1594 |
|
Effect of temperature on the structures of lizardite-1T and lizardite-2H1 |
|
Sample: T = 360 C |
|
_database_code_amcsd 0005584 |
|
5.333 5.333 7.324 90 90 120 P31m |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg .3327 0 .456 .008 .007 .029 .0035 -.001 0 |
|
Si 1/3 2/3 .077 .0089 .0089 .034 .00445 0 0 |
|
O1 1/3 2/3 .2918 .010 .010 .029 .0050 0 0 |
|
O2 .501 0 -.007 .019 .009 .033 .0045 -.001 0 |
|
O3 .662 0 .592 .018 .015 .024 .0075 -.000 0 |
|
O4 0 0 .303 .020 .020 .026 .010 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Lizardite-1T |
| |
Guggenheim S, Zhan W |
|
The Canadian Mineralogist 36 (1998) 1587-1594 |
|
Effect of temperature on the structures of lizardite-1T and lizardite-2H1 |
|
Sample: T = 480 C |
|
_database_code_amcsd 0005585 |
|
5.332 5.332 7.332 90 90 120 P31m |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg .3321 0 .457 .011 .011 .034 .0055 -.0001 0 |
|
Si 1/3 2/3 .078 .0126 .0126 .036 .0063 0 0 |
|
H1 .572 0 .730 |
|
H2 0 0 .190 |
|
O1 1/3 2/3 .2914 .015 .015 .030 .0075 0 0 |
|
O2 .500 0 -.005 .023 .013 .037 .0065 -.003 0 |
|
O3 .664 0 .592 .022 .020 .025 .010 .001 0 |
|
O4 0 0 .306 .022 .022 .028 .011 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Lizardite-2H1 |
| |
Guggenheim S, Zhan W |
|
The Canadian Mineralogist 36 (1998) 1587-1594 |
|
Effect of temperature on the structures of lizardite-1T and lizardite-2H1 |
|
Sample: T = 20 C |
|
_database_code_amcsd 0005586 |
|
5.317 5.317 14.551 90 90 120 P6_3cm |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg .3327 0 .2225 .011 .009 .019 .0045 -.001 0 |
|
Si 1/3 2/3 .0314 .0087 .0087 .011 .00435 0 0 |
|
H1 .622 0 .354 |
|
H2 0 0 .075 |
|
O1 1/3 2/3 .1406 .010 .010 .024 .0050 0 0 |
|
O2 .491 0 -.0070 .020 .020 .028 .010 -.013 0 |
|
O3 2/3 0 .2896 .019 .024 .008 .012 -.003 0 |
|
O4 0 0 .1470 .016 .016 .013 .008 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Lizardite-2H1 |
| |
Guggenheim S, Zhan W |
|
The Canadian Mineralogist 36 (1998) 1587-1594 |
|
Effect of temperature on the structures of lizardite-1T and lizardite-2H1 |
|
Sample: T = 300 C |
|
_database_code_amcsd 0005587 |
|
5.336 5.336 14.614 90 90 120 P6_3cm |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg .332 0 .2188 .018 .015 .018 .0075 -.000 0 |
|
Si 1/3 2/3 .0292 .013 .013 .012 .0065 0 0 |
|
O1 1/3 2/3 .1406 .023 .023 .015 .0115 0 0 |
|
O2 .494 0 -.009 .038 .029 .030 .0145 -.014 0 |
|
O3 2/3 0 .2859 .024 .025 .031 .0125 -.002 0 |
|
O4 0 0 .144 .020 .020 .026 .010 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Lizardite-2H1 |
| |
Guggenheim S, Zhan W |
|
The Canadian Mineralogist 36 (1998) 1587-1594 |
|
Effect of temperature on the structures of lizardite-1T and lizardite-2H1 |
|
Sample: T = 475 C |
|
_database_code_amcsd 0005588 |
|
5.345 5.345 14.662 90 90 120 P6_3cm |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg .3319 0 .2243 .018 .017 .028 .0085 -.001 0 |
|
Si 1/3 2/3 .0344 .015 .015 .017 .0075 0 0 |
|
H1 .621 0 .343 |
|
H2 0 0 .068 |
|
O1 1/3 2/3 .1437 .021 .021 .020 .0105 0 0 |
|
O2 .493 0 -.0023 .036 .027 .031 .0135 -.012 0 |
|
O3 .668 0 .2909 .031 .031 .021 .0155 .003 0 |
|
O4 0 0 .149 .025 .025 .025 .0125 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Russell R L, Guggenheim S |
|
The Canadian Mineralogist 37 (1999) 711-720 |
|
The crystal structures of near-end-member phlogopite at high temperatures |
|
and heat-treated Fe-rich phlogopite: The influence of the O, OH, F site |
|
Note: untreated, room temperature, Fe-rich phlogopite |
|
Locality: Silver Crater mine, Ontario, Canada |
|
_database_code_amcsd 0005597 |
|
5.3346 9.2417 10.182 90 100.26 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 .5 .0 .92 .0482 .043 .046 .055 0 .009 0 |
|
Na 0 .5 .0 .08 .0482 .043 .046 .055 0 .009 0 |
|
Mg1 0 0 .5 .54 .0205 .0165 .0181 .0272 0 .0053 0 |
|
Fe1 0 0 .5 .41 .0205 .0165 .0181 .0272 0 .0053 0 |
|
Ti1 0 0 .5 .03 .0205 .0165 .0181 .0272 0 .0053 0 |
|
Mn1 0 0 .5 .02 .0205 .0165 .0181 .0272 0 .0053 0 |
|
Mg2 0 .3333 .5 .54 .0228 .0174 .0225 .0286 0 .0042 0 |
|
Fe2 0 .3333 .5 .41 .0228 .0174 .0225 .0286 0 .0042 0 |
|
Ti2 0 .3333 .5 .03 .0228 .0174 .0225 .0286 0 .0042 0 |
|
Mn2 0 .3333 .5 .02 .0228 .0174 .0225 .0286 0 .0042 0 |
|
Si .0744 .1666 .2252 .745 .0203 .0169 .0194 .0247 .0000 .0037 .0001 |
|
Al .0744 .1666 .2252 .255 .0203 .0169 .0194 .0247 .0000 .0037 .0001 |
|
O1 .0330 0 .1668 .029 .035 .023 .026 0 .001 0 |
|
O2 .3154 .2391 .1670 .0308 .026 .036 .031 -.007 .007 -.003 |
|
O3 .1307 .1668 .3893 .0222 .020 .022 .025 .0000 .0042 .000 |
|
OH4 .1299 .5 .3958 .53 .027 .022 .025 .033 0 .005 0 |
|
F4 .1299 .5 .3958 .47 .027 .022 .025 .033 0 .005 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Russell R L, Guggenheim S |
|
The Canadian Mineralogist 37 (1999) 711-720 |
|
The crystal structures of near-end-member phlogopite at high temperatures |
|
and heat-treated Fe-rich phlogopite: The influence of the O,OH,F site |
|
Sample: heat-treated at 904 degrees C for 24 hours, Fe-rich phlogopite |
|
Locality: Silver Crater mine, Ontario, Canada |
|
_database_code_amcsd 0005598 |
|
5.3099 9.185 10.093 90 100.07 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 .5 .0 .92 .0327 .031 .029 .039 0 .007 0 |
|
Na 0 .5 .0 .04 .0327 .031 .029 .039 0 .007 0 |
|
Mg1 0 0 .5 .52 .0181 .0144 .0132 .028 0 .0058 0 |
|
Fe1 0 0 .5 .39 .0181 .0144 .0132 .028 0 .0058 0 |
|
Ti1 0 0 .5 .04 .0181 .0144 .0132 .028 0 .0058 0 |
|
Mn1 0 0 .5 .02 .0181 .0144 .0132 .028 0 .0058 0 |
|
Mg2 0 .3420 .5 .52 .0145 .0086 .0131 .0216 0 .0022 0 |
|
Fe2 0 .3420 .5 .39 .0145 .0086 .0131 .0216 0 .0022 0 |
|
Ti2 0 .3420 .5 .04 .0145 .0086 .0131 .0216 0 .0022 0 |
|
Mn2 0 .3420 .5 .02 .0145 .0086 .0131 .0216 0 .0022 0 |
|
Si .0734 .1674 .2232 .743 .0112 .0081 .0078 .0177 .0000 .0025 .0001 |
|
Al .0734 .1674 .2232 .251 .0112 .0081 .0078 .0177 .0000 .0025 .0001 |
|
Ti .0734 .1674 .2232 .006 .0112 .0081 .0078 .0177 .0000 .0025 .0001 |
|
O1 .0310 0 .1661 .020 .028 .011 .021 0 .003 0 |
|
O2 .3155 .2380 .1645 .0216 .016 .025 .024 -.005 .005 -.002 |
|
O3 .1295 .1694 .3896 .0128 .010 .011 .017 .001 .002 .001 |
|
OH4 .1359 .5 .4010 .53 .016 .014 .012 .023 0 .004 0 |
|
F4 .1359 .5 .4010 .47 .016 .014 .012 .023 0 .004 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Russell R L, Guggenheim S |
|
The Canadian Mineralogist 37 (1999) 711-720 |
|
The crystal structures of near-end-member phlogopite at high temperatures |
|
and heat-treated Fe-rich phlogopite: The influence of the O, OH, F site |
|
Sample: T = 20 deg C |
|
Locality: White Well, Australia |
|
_database_code_amcsd 0005599 |
|
5.3030 9.1805 10.2483 90 100.05 90 C2/m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 .5 .0 .82 .3409 .0355 .0381 0 .0056 0 |
|
Na 0 .5 .0 .115 .3409 .0355 .0381 0 .0056 0 |
|
Mg1 0 0 .5 .76 .0033 .0022 .0158 0 .0022 0 |
|
Al1 0 0 .5 .165 .0033 .0022 .0158 0 .0022 0 |
|
Fe1 0 0 .5 .04 .0033 .0022 .0158 0 .0022 0 |
|
Mg2 0 .3318 .5 .76 .0007 .0025 .0145 0 .0006 0 |
|
Al2 0 .3318 .5 .165 .0007 .0025 .0145 0 .0006 0 |
|
Fe2 0 .3318 .5 .04 .0007 .0025 .0145 0 .0006 0 |
|
Si .0759 .1668 .2282 .696 .0051 .0060 .0159 0 .0021 0 |
|
Al .0759 .1668 .2282 .304 .0051 .0060 .0159 0 .0021 0 |
|
O1 -.0001 0 .1713 .0165 .0152 .0215 0 .0019 0 |
|
O2 .3364 .2214 .1714 .0107 .0177 .0254 .0063 .0060 .0042 |
|
O3 .1317 .1677 .3925 .0061 .0059 .0176 .0002 .0012 .0003 |
|
OH4 .1309 .5 .3985 .966 .0166 .0175 .0292 0 .0020 0 |
|
F4 .1309 .5 .3985 .034 .0166 .0175 .0292 0 .0020 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Russell R L, Guggenheim S |
|
The Canadian Mineralogist 37 (1999) 711-720 |
|
The crystal structures of near-end-member phlogopite at high temperatures |
|
and heat-treated Fe-rich phlogopite: The influence of the O, OH, F site |
|
Sample: T = 300 deg C |
|
Locality: White Well, Australia |
|
_database_code_amcsd 0005600 |
|
5.3193 9.207 10.286 90 100.042 90 C2/m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 .5 .0 .82 .0705 .0792 .0535 0 .0067 0 |
|
Na 0 .5 .0 .115 .0705 .0792 .0535 0 .0067 0 |
|
Mg1 0 0 .5 .76 .0154 .0296 .0208 0 .0021 0 |
|
Al1 0 0 .5 .165 .0154 .0296 .0208 0 .0021 0 |
|
Fe1 0 0 .5 .04 .0154 .0296 .0208 0 .0021 0 |
|
Mg2 0 .3319 .5 .76 .0151 .0306 .0196 0 .0008 0 |
|
Al2 0 .3319 .5 .165 .0151 .0306 .0196 0 .0008 0 |
|
Fe2 0 .3319 .5 .04 .0151 .0306 .0196 0 .0008 0 |
|
Si .0769 .1669 .2290 .696 .0200 .0316 .0196 .0003 .0014 -.0004 |
|
Al .0769 .1669 .2290 .304 .0200 .0316 .0196 .0003 .0014 -.0004 |
|
O1 .0096 0 .1796 .0391 .0304 .0324 0 .0041 0 |
|
O2 .3318 .2251 .1730 .0311 .0413 .0332 -.0000 .0071 -.009 |
|
O3 .1314 .1675 .3934 .0220 .0332 .0213 .0032 .0014 .0000 |
|
OH4 .1311 .5 .3977 .966 .0331 .0451 .0375 0 .0016 0 |
|
F4 .1311 .5 .3977 .034 .0331 .0451 .0375 0 .0016 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Russell R L, Guggenheim S |
|
The Canadian Mineralogist 37 (1999) 711-720 |
|
The crystal structures of near-end-member phlogopite at high temperatures |
|
and heat-treated Fe-rich phlogopite: The influence of the O, OH, F site |
|
Sample: T = 450 deg C |
|
Locality: White Well, Australia |
|
_database_code_amcsd 0005601 |
|
5.3331 9.2316 10.3159 90 100.004 90 C2/m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 .5 .0 .82 .0865 .0923 .0689 0 .0133 0 |
|
Na 0 .5 .0 .115 .0865 .0923 .0689 0 .0133 0 |
|
Mg1 0 0 .5 .76 .0159 .0300 .0258 0 .0043 0 |
|
Al1 0 0 .5 .165 .0159 .0300 .0258 0 .0043 0 |
|
Fe1 0 0 .5 .04 .0159 .0300 .0258 0 .0043 0 |
|
Mg2 0 .3317 .5 .76 .0157 .0302 .0239 0 .0018 0 |
|
Al2 0 .3317 .5 .165 .0157 .0302 .0239 0 .0018 0 |
|
Fe2 0 .3317 .5 .04 .0157 .0302 .0239 0 .0018 0 |
|
Si .0768 .1668 .2296 .696 .0206 .0308 .0232 .0003 .0028 -.0001 |
|
Al .0768 .1668 .2296 .304 .0206 .0308 .0232 .0003 .0028 -.0001 |
|
O1 .0179 0 .1727 .0457 .0291 .0382 0 .0012 0 |
|
O2 .3373 .2289 .1733 .0319 .0429 .0398 -.0090 .0089 -.0078 |
|
O3 .1315 .1673 .3933 .0227 .0350 .0255 .0018 .0022 -.0011 |
|
OH4 .1320 .5 .3978 .966 .0359 .0473 .0461 0 .0046 0 |
|
F4 .1320 .5 .3978 .034 .0359 .0473 .0461 0 .0046 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Russell R L, Guggenheim S |
|
The Canadian Mineralogist 37 (1999) 711-720 |
|
The crystal structures of near-end-member phlogopite at high temperatures |
|
and heat-treated Fe-rich phlogopite: The influence of the O, OH, F site |
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Sample: T = 600 deg C |
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Locality: White Well, Australia |
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_database_code_amcsd 0005602 |
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5.342 9.238 10.357 90 99.99 90 C2/m |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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K 0 .5 .0 .82 .0918 .1054 .0864 0 .0154 0 |
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Na 0 .5 .0 .115 .0918 .1054 .0864 0 .0154 0 |
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Mg1 0 0 .5 .76 .0151 .0212 .0333 0 .0067 0 |
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Al1 0 0 .5 .165 .0151 .0212 .0333 0 .0067 0 |
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Fe1 0 0 .5 .04 .0151 .0212 .0333 0 .0067 0 |
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Mg2 0 .3317 .5 .76 .0131 .0207 .0312 0 .0045 0 |
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Al2 0 .3317 .5 .165 .0131 .0207 .0312 0 .0045 0 |
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Fe2 0 .3317 .5 .04 .0131 .0207 .0312 0 .0045 0 |
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Si .0711 .1667 .2307 .696 .0162 .0230 .0316 -.0004 .0054 .0003 |
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Al .0711 .1667 .2307 .304 .0162 .0230 .0316 -.0004 .0054 .0003 |
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O1 .0238 0 .1731 .0449 .0223 .0452 0 .0004 0 |
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O2 .3254 .2334 .1732 .0263 .0417 .0501 -.0182 .0110 -.0027 |
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O3 .1312 .1673 .3928 .0212 .0323 .0314 -.0010 .0046 -.0013 |
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OH4 .1312 .5 .3976 .966 .0367 .0502 .0600 0 .0076 0 |
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F4 .1312 .5 .3976 .034 .0367 .0502 .0600 0 .0076 0 |
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| Download AMC data (View Text File)
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Ferrokinoshitalite |
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Guggenheim S, Frimmel H E |
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The Canadian Mineralogist 37 (1999) 1445-1452 |
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Ferrokinoshitalite, a new species of brittle mica from the |
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Broken Hill Mine, South Africa: Structural and mineralogical |
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characterization |
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Locality: Broken Hill Mine, South Africa |
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_database_code_amcsd 0005634 |
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5.389 9.337 10.054 90 100.53 90 C2/m |
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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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Ba 0 .5 0 .56 .0140 .00386 .00671 0 .0038 0 |
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K 0 .5 0 .39 .0140 .00386 .00671 0 .0038 0 |
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Na 0 .5 0 .05 .0140 .00386 .00671 0 .0038 0 |
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Fe1 0 0 .5 .65 .0070 .0013 .0034 0 .0028 0 |
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Mg1 0 0 .5 .26 .0070 .0013 .0034 0 .0028 0 |
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Mn1 0 0 .5 .03 .0070 .0013 .0034 0 .0028 0 |
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Ti1 0 0 .5 .06 .0070 .0013 .0034 0 .0028 0 |
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Fe2 0 .3331 .5 .65 .0055 .00202 .00324 0 .0012 0 |
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Mg2 0 .3331 .5 .26 .0055 .00202 .00324 0 .0012 0 |
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Mn2 0 .3331 .5 .03 .0055 .00202 .00324 0 .0012 0 |
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Ti2 0 .3331 .5 .06 .0055 .00202 .00324 0 .0012 0 |
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Si .0745 .1664 .2199 .61 .0076 .00193 .00303 -.0000 .0017 -.0002 |
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Al .0745 .1664 .2199 .39 .0076 .00193 .00303 -.0000 .0017 -.0002 |
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O1 .0333 0 .1578 .027 .0034 .0027 0 .001 0 |
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O2 .3134 .2400 .1586 .0160 .0064 .0039 -.008 .0028 -.0010 |
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O3 .1319 .1659 .3883 .0099 .0030 .0036 -.0000 .0026 -.0005 |
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OH .1229 .5 .3871 .68 .010 .0028 .0063 0 .004 0 |
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F .1229 .5 .3871 .32 .010 .0028 .0063 0 .004 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Guidottiite |
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Wahle M W, Bujnowski T J, Guggenheim S, Kogure T |
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Clays and Clay Minerals 58 (2010) 364-376 |
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Guidottiite, the Mn-analogue of cronstedtite: A new serpentine-group |
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mineral from South Africa |
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Locality: N'chwaning 2 mine, Kalahari manganese field, South Africa |
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_database_code_amcsd 0018323 |
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5.5472 5.5472 14.296 90 90 120 P6_3 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MnM1 .6670 -.0008 .2375 .618 .0139 .0138 .0138 .0141 .0070 .0001 .0003 |
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Fe3+M1 .6670 -.0008 .2375 .203 .0139 .0138 .0138 .0141 .0070 .0001 .0003 |
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MgM1 .6670 -.0008 .2375 .179 .0139 .0138 .0138 .0141 .0070 .0001 .0003 |
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SiT1 0 0 .0382 .322 .0090 .0086 .0086 .0097 .0043 0 0 |
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Fe3+T1 0 0 .0382 .678 .0090 .0086 .0086 .0097 .0043 0 0 |
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SiT2 1/3 2/3 .0366 .631 .0095 .0088 .0088 .011 .0044 0 0 |
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Fe3+T2 1/3 2/3 .0366 .369 .0095 .0088 .0088 .011 .0044 0 0 |
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O1 .191 .332 0 .0190 |
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O4 0 0 .1570 .0067 .0096 .0096 .001 .0048 0 0 |
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O5 1/3 2/3 .1577 .0073 .0074 .0074 .007 .0037 0 0 |
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OH1 2/3 1/3 .1592 .0052 .0068 .0068 .002 .0034 0 0 |
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OH2 .335 .001 .3081 .0087 .010 .013 .002 .005 .002 .001 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure
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