|
Ferrosilite |
 |
Burnham C W, Ohashi Y, Hafner S S, Virgo D |
 |
American Mineralogist 56 (1971) 850-876 |
|
Cation distribution and atomic thermal vibrations in an iron-rich orthopyroxene |
|
_database_code_amcsd 0000247 |
|
18.405 9.0338 5.2390 90 90 90 Pbca |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
SiA .27194 .33944 .04905 .00022 .00158 .00366 -.00008 .00007 -.00012 |
|
SiB .47343 .33490 .79113 .00026 .00159 .00364 .00008 0 .00014 |
|
Fe1 .37566 .65424 .87451 .75 .00043 .00192 .00506 -.00001 -.00010 -.00012 |
|
Mg1 .37566 .65424 .87451 .25 .00043 .00192 .00506 -.00001 -.00010 -.00012 |
|
Fe2 .37795 .48456 .36682 .96 .00060 .00288 .00646 -.00012 -.00046 .00013 |
|
Ca2 .37795 .48456 .36682 .04 .00060 .00288 .00646 -.00012 -.00046 .00013 |
|
O1a .18427 .33889 .03899 .00022 .00194 .00567 0 .00010 -.00025 |
|
O2a .31130 .49661 .05755 .00047 .00157 .00513 -.00016 -.00010 -.00015 |
|
O3a .30229 .23575 -.18414 .00032 .00301 .00455 -.00004 .00004 -.00106 |
|
O1b .56154 .33620 .78991 .00024 .00227 .00662 0 -.00001 .00023 |
|
O2b .43335 .48202 .69459 .00053 .00203 .00612 .00025 .00041 .00051 |
|
O3b .44735 .20274 .58737 .00037 .00259 .00569 -.00014 .00017 -.00113 |
|
|
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|
| |
|
Hedenbergite |
|
Ohashi Y, Burnham C W, Finger L W |
|
American Mineralogist 60 (1975) 423-434 |
|
The effect of Ca-Fe substitution on the clinopyroxene crystal structure |
|
Fs65Wo35 |
|
_database_code_amcsd 0000457 |
|
9.812 9.049 5.233 90 105.3 90 C2/c |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Si .2901 .0910 .23700 .41 .0014 .0012 .0038 -.0002 .0011 -.0005 |
|
Fe 0 .9064 .25 .44 .0017 .0010 .0038 0 .0008 0 |
|
Fe1 0 .2908 .25 .3 1.31 .0025 .0074 .0050 0 .0001 0 |
|
Ca1 0 .2908 .25 .7 1.31 .0025 .0074 .0050 0 .0001 0 |
|
O1 .1207 .0895 .15260 .63 .0021 .0018 .0056 .0003 .0011 .0002 |
|
O2 .3658 .2448 .33170 1.10 .0039 .0023 .0134 -.0013 .0039 -.0022 |
|
O3 .3505 .0222 -.0055 .70 .0018 .0030 .0049 0 .0008 -.0014 |
|
|
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|
| |
|
Hedenbergite |
|
Ohashi Y, Burnham C W, Finger L W |
|
American Mineralogist 60 (1975) 423-434 |
|
The effect of Ca-Fe substitution on the clinopyroxene crystal structure |
|
Fs75Wo25 |
|
_database_code_amcsd 0000458 |
|
9.781 9.072 5.246 90 106.6 90 C2/c |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Fe1 0 .9047 .25 .80 .0018 .0019 .0103 -.0001 .0019 0 |
|
Fe2 0 .2747 .25 .5 1.85 .0019 .0024 .0091 0 .0012 0 |
|
Ca 0 .2747 .25 .5 1.85 .0026 .0100 .0105 0 -.0007 0 |
|
Si .2936 .0898 .24340 .75 .0026 .0100 .0105 0 -.0007 0 |
|
O1 .1207 .0893 .15170 .82 .0020 .0023 .0113 .0001 .0024 -.0025 |
|
O2 .3706 .2426 .34960 1.75 .0036 .0024 .0355 -.0006 .0070 -.0012 |
|
O3 .3520 .0255 -.0043 1.26 .0021 .0058 .0111 .0007 .0013 -.0029 |
|
|
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|
| |
|
Clinoferrosilite |
|
Ohashi Y, Burnham C W, Finger L W |
|
American Mineralogist 60 (1975) 423-434 |
|
The effect of Ca-Fe substitution on the clinopyroxene crystal structure |
|
Fs80Wo20 |
|
_database_code_amcsd 0000459 |
|
9.760 9.057 5.234 90 106.3 90 C2/c |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Fe1 0 .9050 .25 .64 .00100 .00154 .01059 0 .00111 0 |
|
Fe2 0 .2751 .25 .6 1.78 .00326 .01051 .01000 0 .00388 0 |
|
Ca 0 .2751 .25 .4 1.78 .00326 .01051 .01000 0 .00388 0 |
|
Si .2937 .0891 .2440 .65 .00065 .00166 .01088 .00021 .00049 -.00090 |
|
O1 .1214 .0893 .1535 .78 .00056 .00237 .01167 -.00035 .00172 -.00023 |
|
O2 .3712 .2417 .3480 1.53 .00180 .00251 .02750 .00086 -.00033 -.00482 |
|
O3 .3517 .0261 -.002 1.14 .00123 .00561 .01095 -.00126 .00084 -.00317 |
|
|
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|
| |
|
Clinoferrosilite |
|
Ohashi Y, Burnham C W, Finger L W |
|
American Mineralogist 60 (1975) 423-434 |
|
The effect of Ca-Fe substitution on the clinopyroxene crystal structure |
|
Fs85Wo15 |
|
_database_code_amcsd 0000460 |
|
9.779 9.088 5.258 90 107.39 90 P2_1/c |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
SiA .0461 .3387 .2569 .0012 .0028 .0083 .0003 .0009 -.0008 |
|
SiB .5455 .8373 .2436 .0021 .0014 .0078 -.0007 .0020 -.0007 |
|
Fe1 .2512 .6543 .2454 .0018 .0022 .0067 .0002 .0012 .0002 |
|
Fe2 .2534 .0182 .2443 .7 .0020 .0082 .0079 -.0001 -.0001 .0007 |
|
Ca2 .2534 .0182 .2443 .3 .0020 .0082 .0079 -.0001 -.0001 .0007 |
|
O1a .8729 .3407 .1601 .0013 .0021 .0048 .0000 -.0008 .0002 |
|
O2a .1182 .4948 .3423 .0055 .0041 .0232 .0001 .0076 -.0005 |
|
O3a .1002 .2299 .5172 .0006 .0106 .0193 .0012 .0001 .0105 |
|
O1b .3719 .8360 .1499 .0023 .0035 .0103 .0000 .0026 -.0010 |
|
O2b .6280 .9873 .3656 .0017 .0017 .0192 -.0019 .0027 -.0035 |
|
O3b .6038 .7192 .4983 .0026 .0056 .0098 -.0007 .0041 .0015 |
|
|
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|
| |
|
Diopside |
|
Finger L W, Ohashi Y |
|
American Mineralogist 61 (1976) 303-310 |
|
The thermal expansion of diopside to 800 C and a refinement of the crystal |
|
structure at 700 C |
|
T = 700 C |
|
_database_code_amcsd 0000517 |
|
9.804 9.030 5.275 90 105.98 90 C2/c |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca 0 .9067 .25 .00049 .00040 .00147 0 .00028 0 |
|
Mg 0 .3003 .25 .00082 .00043 .00208 0 .00007 0 |
|
Si .2864 .0923 .2299 .00032 .00030 .00137 -.00003 .00027 -.00040 |
|
O1 .1167 .0872 .1417 .00039 .00051 .00155 -.00011 .00025 -.00030 |
|
O2 .3617 .2460 .3166 .00070 .00040 .00220 -.00020 .00040 -.00030 |
|
O3 .3493 .0155 .9978 .00042 .00058 .00163 .00003 .00031 -.00028 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bustamite |
|
Ohashi Y, Finger L W |
|
American Mineralogist 63 (1978) 274-288 |
|
The role of octahedral cations in pyroxenoid crystal chemistry. I. Bustamite, |
|
wollastonite, and the pectolite-schizolite-serandite series |
|
sample Mn-BS, from Mitsuka, Gifu, Japan |
|
_database_code_amcsd 0000618 |
|
9.807 10.680 7.091 99.58 99.99 83.79 I-1 |
|
atom x y z occ Biso |
|
Mn1 .0241 .7713 .8227 .92 .96 |
|
Ca1 .0241 .7713 .8227 .08 .96 |
|
Mn2 .0225 .7753 .3387 .51 .93 |
|
Ca2 .0225 .7753 .3387 .49 .93 |
|
Mn3 0 .5 .5 .81 .73 |
|
Ca3 0 .5 .5 .19 .73 |
|
Ca4 0 .5 0 .83 .74 |
|
Mn4 0 .5 0 .17 .74 |
|
Si1 .2195 .9565 .6435 .54 |
|
Si2 .2223 .9517 .1967 .53 |
|
Si3 .2184 .1764 .9778 .52 |
|
Oa1 .1200 .5802 .7766 1.12 |
|
Oa2 .1141 .5767 .3174 1.21 |
|
Oa3 .1171 .3137 .4776 .82 |
|
Ob1 .1106 .8568 .6399 1.84 |
|
Ob2 .1297 .8379 .1026 1.67 |
|
Ob3 .1085 .2977 .9846 .78 |
|
Oc1 .2111 .9799 .4241 2.45 |
|
Oc2 .1678 .0876 .1206 .99 |
|
Oc3 .1738 .0974 .7575 .97 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bustamite |
|
Ohashi Y, Finger L W |
|
American Mineralogist 63 (1978) 274-288 |
|
The role of octahedral cations in pyroxenoid crystal chemistry. I. Bustamite, |
|
wollastonite, and the pectolite-schizolite-serandite series |
|
sample BS, from Hijikuzu, Iwate, Japan |
|
_database_code_amcsd 0000619 |
|
9.864 10.790 7.139 99.53 99.71 83.83 I-1 |
|
atom x y z occ Biso |
|
Mn1 .0245 .7721 .8257 .87 .67 |
|
Ca1 .0245 .7721 .8257 .13 .67 |
|
Ca2 .0231 .7783 .3410 .93 .72 |
|
Mn2 .0231 .7783 .3410 .07 .72 |
|
Mn3 0 .5 .5 .55 |
|
Ca4 0 .5 0 .99 .65 |
|
Mn4 0 .5 0 .01 .65 |
|
Si1 .2226 .9566 .6473 .48 |
|
Si2 .2235 .9534 .1978 .50 |
|
Si3 .2201 .1757 .9801 .48 |
|
Oa1 .1178 .5803 .7757 .77 |
|
Oa2 .1139 .5730 .3170 .84 |
|
Oa3 .1164 .3135 .4744 .75 |
|
Ob1 .1133 .8587 .6491 1.18 |
|
Ob2 .1328 .8402 .1010 1.09 |
|
Ob3 .1095 .2961 .9849 .72 |
|
Oc1 .2105 .9787 .4259 1.46 |
|
Oc2 .1687 .0887 .1221 .81 |
|
Oc3 .1787 .0966 .7605 .80 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bustamite |
|
Ohashi Y, Finger L W |
|
American Mineralogist 63 (1978) 274-288 |
|
The role of octahedral cations in pyroxenoid crystal chemistry. I. Bustamite, |
|
wollastonite, and the pectolite-schizolite-serandite series |
|
sample Ca-BS, from Hijikuzu, Iwate, Japan |
|
_database_code_amcsd 0000620 |
|
9.994 10.946 7.231 99.30 100.56 83.29 I-1 |
|
atom x y z occ Biso |
|
Ca1 .0222 .7771 .8179 .93 .64 |
|
Mn1 .0222 .7771 .8179 .07 .64 |
|
Mn2 .0247 .7766 .3333 .05 .71 |
|
Ca2 .0247 .7766 .3333 .95 .71 |
|
Mn3 0 .5 .5 .88 .64 |
|
Ca3 0 .5 .5 .12 .64 |
|
Ca4 0 .5 0 .64 |
|
Si1 .2267 .9640 .6395 .51 |
|
Si2 .2296 .9573 .1983 .50 |
|
Si3 .2209 .1755 .9727 .51 |
|
Oa1 .1169 .5747 .7748 .86 |
|
Oa2 .1109 .5733 .3200 .77 |
|
Oa3 .1177 .3132 .4804 .72 |
|
Ob1 .1192 .8659 .6264 1.19 |
|
Ob2 .1353 .8483 .1135 .99 |
|
Ob3 .1084 .2925 .9772 .76 |
|
Oc1 .2280 .9927 .4257 1.26 |
|
Oc2 .1747 .0880 .1141 .81 |
|
Oc3 .1787 .0988 .7560 .83 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Wollastonite |
|
Ohashi Y, Finger L W |
|
American Mineralogist 63 (1978) 274-288 |
|
The role of octahedral cations in pyroxenoid crystal chemistry. I. Bustamite, |
|
wollastonite, and the pectolite-schizolite-serandite series |
|
sample Mn-WO, from Broken Hill, New South Wales, Australia |
|
_database_code_amcsd 0000621 |
|
10.121 11.070 7.312 99.51 100.51 83.43 C-1 |
|
atom x y z occ Biso |
|
Ca1 .0208 .7807 .0772 .95 .58 |
|
Mn1 .0208 .7807 .0772 .05 .58 |
|
Ca2 .0171 .7806 .5709 .97 .58 |
|
Mn2 .0171 .7806 .5709 .03 .58 |
|
Ca3 .0144 .4885 .2504 .96 .54 |
|
Mn3 .0144 .4885 .2504 .04 .54 |
|
Si1 .2265 .9583 .8877 .42 |
|
Si2 .2267 .9577 .4537 .44 |
|
Si3 .2264 .1707 .2236 .42 |
|
Oa1 .1163 .5797 .0381 .76 |
|
Oa2 .1169 .5814 .5611 .76 |
|
Oa3 .1149 .3141 .7307 .68 |
|
Ob1 .1239 .8584 .8745 .81 |
|
Ob2 .1230 .8577 .3669 .88 |
|
Ob3 .1152 .2864 .2267 .56 |
|
Oc1 .2211 .9963 .6785 1.02 |
|
Oc2 .1820 .0886 .3704 .70 |
|
Oc3 .1827 .0907 .0121 .73 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Wollastonite |
|
Ohashi Y, Finger L W |
|
American Mineralogist 63 (1978) 274-288 |
|
The role of octahedral cations in pyroxenoid crystal chemistry. I. Bustamite, |
|
wollastonite, and the pectolite-schizolite-serandite series |
|
sample Fe-WO, from Scawt Hill, Antrim County, Ireland |
|
_database_code_amcsd 0000622 |
|
10.104 11.054 7.305 99.53 100.56 83.44 C-1 |
|
atom x y z occ Biso |
|
Ca1 .0212 .7800 .0772 .97 .71 |
|
Fe1 .0212 .7800 .0772 .03 .71 |
|
Ca2 .0180 .7803 .5712 .97 .73 |
|
Fe2 .0180 .7803 .5712 .03 .73 |
|
Ca3 .0137 .4889 .2504 .93 .67 |
|
Fe3 .0137 .4889 .2504 .07 .67 |
|
Si1 .2265 .9585 .8876 .53 |
|
Si2 .2266 .9576 .4540 .54 |
|
Si3 .2260 .1711 .2237 .52 |
|
Oa1 .1164 .5786 .0381 1.00 |
|
Oa2 .1168 .5807 .5612 .98 |
|
Oa3 .1149 .3142 .7305 .81 |
|
Ob1 .1248 .8577 .8750 1.05 |
|
Ob2 .1239 .8567 .3657 1.13 |
|
Ob3 .1147 .2874 .2271 .67 |
|
Oc1 .2201 .9955 .6780 1.29 |
|
Oc2 .1811 .0887 .3703 .85 |
|
Oc3 .1823 .0912 .0119 .84 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Serandite |
|
Ohashi Y, Finger L W |
|
American Mineralogist 63 (1978) 274-288 |
|
The role of octahedral cations in pyroxenoid crystal chemistry. I. Bustamite, |
|
wollastonite, and the pectolite-schizolite-serandite series |
|
sample SRN, from Rouma, Island of Los, Guinea |
|
_database_code_amcsd 0000623 |
|
9.909 10.667 6.913 99.10 100.51 82.49 C-1 |
|
atom x y z occ Biso |
|
Mn1 .0052 .6431 .9062 .66 .80 |
|
Ca1 .0052 .6431 .9062 .34 .80 |
|
Mn2 .0082 .6416 .4158 .96 |
|
Na3 .0462 .8977 .2473 1.58 |
|
Si1 .2216 .0616 .0963 .63 |
|
Si2 .2216 .0721 .5456 .64 |
|
Si3 .2017 .8446 .7597 .64 |
|
Oa1 .1157 .4464 .8901 .90 |
|
Oa2 .1132 .4406 .3969 .95 |
|
Oa3 .1346 .6892 .2133 .89 |
|
Ob1 .1336 .1831 .0016 1.06 |
|
Ob2 .1430 .1984 .6516 .93 |
|
Ob3 .1113 .7273 .7011 .99 |
|
Oc1 .1725 .0657 .3090 .88 |
|
Oc2 .1581 .9474 .5959 .92 |
|
Oc3 .1623 .9318 .9676 .99 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Pectolite |
|
Ohashi Y, Finger L W |
|
American Mineralogist 63 (1978) 274-288 |
|
The role of octahedral cations in pyroxenoid crystal chemistry. I. Bustamite, |
|
wollastonite, and the pectolite-schizolite-serandite series |
|
sample SCH, from Kangerdluarsuk, Julianehaab, Greenland |
|
_database_code_amcsd 0000624 |
|
10.059 10.880 6.978 98.84 100.58 82.64 C-1 |
|
atom x y z occ Biso |
|
Ca1 .0026 .6485 .9063 .87 .60 |
|
Mn1 .0026 .6485 .9063 .13 .60 |
|
Ca2 .0068 .6418 .4152 .36 .70 |
|
Mn2 .0068 .6418 .4152 .64 .70 |
|
Na3 .0480 .8965 .2543 1.52 |
|
Si1 .2223 .0583 .0935 .63 |
|
Si2 .2221 .0708 .5403 .69 |
|
Si3 .2029 .8462 .7543 .67 |
|
Oa1 .1168 .4446 .8847 .94 |
|
Oa2 .1160 .4415 .4036 1.06 |
|
Oa3 .1362 .6905 .2216 .96 |
|
Ob1 .1359 .1734 -.0088 .89 |
|
Ob2 .1473 .1954 .6472 1.15 |
|
Ob3 .1112 .7335 .6957 1.02 |
|
Oc1 .1725 .0634 .3039 .90 |
|
Oc2 .1594 .9498 .5962 .93 |
|
Oc3 .1703 .9270 .9664 1.02 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Santaclaraite |
|
Ohashi Y, Finger L W |
|
American Mineralogist 66 (1981) 154-168 |
|
The crystal structure of santaclaraite, CaMn4[Si5O14(OH)](OH)*H2O: The role of |
|
hydrogen atoms in the pyroxenoid structure |
|
Note: gamma angle revised according to Am Min 66 (1981) 1281 |
|
_database_code_amcsd 0000807 |
|
10.273 11.910 12.001 105.77 110.64 89.13 I-1 |
|
atom x y z occ Biso |
|
Mn1 .01041 .03761 .87646 0.64 |
|
Mn2 .00534 .11316 .62112 0.52 |
|
Mn3 .02109 .83376 .63081 .99 0.62 |
|
Ca3 .02109 .83376 .63081 .01 0.62 |
|
Mn4 .00166 .24218 .11853 .95 0.56 |
|
Mg4 .00166 .24218 .11853 .05 0.56 |
|
Ca5 .01957 .31307 .86949 .91 0.70 |
|
Mn5 .01957 .31307 .86949 .09 0.70 |
|
Si1 .2092 .5836 .5776 0.41 |
|
Si2 .2203 .6605 .3564 0.44 |
|
Si3 .2256 .4693 .1212 0.40 |
|
Si4 .2101 .5305 .8810 0.40 |
|
Si5 .1953 .3531 .6409 0.39 |
|
OA1 .1270 .8910 .8386 0.66 |
|
OA2 .1115 .8140 .0865 0.65 |
|
OA3 .1071 .0210 .3269 0.62 |
|
OA4 .1222 .9548 .5760 0.60 |
|
OA5 .1366 .1528 .8169 0.56 |
|
OhB1 .1204 .6740 .6437 0.74 |
|
OB2 .1316 .7672 .3327 0.73 |
|
OB3 .1536 .3399 .0887 0.70 |
|
OB4 .1363 .6393 .8435 0.87 |
|
OB5 .1068 .2307 .5620 0.62 |
|
OC1 .1740 .5938 .4398 0.72 |
|
OC2 .1683 .5646 .2155 0.68 |
|
OC3 .1602 .5011 .9873 0.63 |
|
OC4 .1549 .4076 .7663 0.63 |
|
OC5 .1575 .4485 .5603 0.67 |
|
OhD1 .1041 .0863 .0802 0.75 |
|
OWD2 .1293 .2764 .3267 0.90 |
|
H1 .101 .655 .702 |
|
H2 .181 .089 .116 |
|
H3 .218 .248 .362 |
|
H4 .137 .335 .406 |
|
|
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|
| |
|
Clinoenstatite |
|
Ohashi Y |
| |
Physics and Chemistry of Minerals 10 (1984) 217-229 |
|
Polysynthetically-twinned structures of enstatite and wollastonite |
|
Sample: CLEN |
|
_database_code_amcsd 0007357 |
|
9.606 8.8131 5.170 90 108.35 90 P2_1/c |
|
atom x y z Biso |
|
MgM1 .25111 .65330 .2177 .41 |
|
MgM2 .25581 .01312 .2146 .55 |
|
SiA .04331 .34088 .29449 .29 |
|
SiB .55339 .83718 .23007 .30 |
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O1A .8667 .3396 .1851 .37 |
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O2A .1228 .5009 .3218 .46 |
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O3A .1066 .2795 .6153 .47 |
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O1B .3762 .8399 .1247 .39 |
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O2B .6340 .9825 .3891 .49 |
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O3B .6053 .6942 .4540 .43 |
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Enstatite |
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Ohashi Y |
| |
Physics and Chemistry of Minerals 10 (1984) 217-229 |
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Polysynthetically-twinned structures of enstatite and wollastonite |
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Sample: OREN |
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_database_code_amcsd 0007358 |
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18.225 8.8128 5.180 90 90 90 Pbca |
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atom x y z Biso |
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MgM1 .37584 .65383 .8660 .37 |
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MgM2 .37677 .48687 .3589 .57 |
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SiA .27173 .34155 .0505 .28 |
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SiB .47353 .33739 .7980 .27 |
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O1A .18343 .3398 .0347 .38 |
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O2A .31106 .5023 .0433 .47 |
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O3A .30322 .2227 .8311 .46 |
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O1B .56243 .3402 .8001 .39 |
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O2B .43258 .4827 .6895 .46 |
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O3B .44742 .1952 .6039 .41 |
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|
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Wollastonite |
|
Ohashi Y |
| |
Physics and Chemistry of Minerals 10 (1984) 217-229 |
|
Polysynthetically-twinned structures of enstatite and wollastonite |
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Sample: WO1T |
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_database_code_amcsd 0007359 |
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7.9258 7.3202 7.0653 90.055 95.217 103.426 P-1 |
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atom x y z |
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CaM1 .19831 .42266 .76060 |
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CaM2 .20241 .92919 .76401 |
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CaM3 .50333 .75040 .52691 |
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Si1 .1851 .3875 .2684 |
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Si2 .1849 .9542 .2691 |
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Si3 .3973 .7236 .0561 |
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OA1 .3034 .4616 .4628 |
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OA2 .3014 .9385 .4641 |
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OA3 .5705 .7688 .1988 |
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OB1 .9832 .3739 .2655 |
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OB2 .9819 .8677 .2648 |
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OB3 .4018 .7266 .8296 |
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OC1 .2183 .1785 .2254 |
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OC2 .2713 .8704 .0938 |
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OC3 .2735 .5126 .0931 |
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|
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| |
|
Wollastonite |
|
Ohashi Y |
| |
Physics and Chemistry of Minerals 10 (1984) 217-229 |
|
Polysynthetically-twinned structures of enstatite and wollastonite |
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Sample: WO2M |
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_database_code_amcsd 0007360 |
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15.424 7.324 7.0692 90 95.371 90 P2_1/a |
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atom x y z |
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CaM1 .40056 .6248 .7389 |
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CaM2 .39880 .1191 .7362 |
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CaM3 .24837 .3744 .9736 |
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Si1 .4075 .6584 .2311 |
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Si2 .4077 .0927 .2311 |
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Si3 .3014 .3761 .4438 |
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OA1 .3485 .6121 .0366 |
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OA2 .3493 .1329 .0369 |
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OA3 .2147 .3712 .3011 |
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OB1 .5083 .6157 .2335 |
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OB2 .5090 .1218 .2367 |
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OB3 .2991 .3703 .6708 |
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OC1 .3914 .8761 .2753 |
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OC2 .3639 .1970 .4053 |
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OC3 .3637 .5550 .4056 |
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|
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Wollastonite-1A |
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Ohashi Y, Finger L W |
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Carnegie Institution of Washington: Yearbook 75 (1976) 746-753 |
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Stepwise cation ordering in bustamite and disordering in wollastonite |
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_database_code_amcsd 0012176 |
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10.104 11.054 7.305 99.53 100.56 83.44 C-1 |
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atom x y z occ Biso |
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Ca1 .0212 .2800 .0772 .97 .71 |
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Mn1 .0212 .2800 .0772 .03 .71 |
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Ca2 .0180 .2803 .5712 .97 .73 |
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Mn2 .0180 .2803 .5712 .03 .73 |
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Ca3 .9863 .0111 .7497 .465 .67 |
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Mn3 .9863 .0111 .7497 .035 .67 |
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Ca4 0 0 .5 .67 |
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Si1 .2265 .4585 .8876 .53 |
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Si2 .2266 .4576 .4540 .54 |
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Si3 .2260 .6711 .2237 .52 |
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O1 .1164 .0786 .0381 1.00 |
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O2 .1168 .0807 .5612 .98 |
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O3 .1147 .7874 .2271 .67 |
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O4 .1149 .8142 .7305 .81 |
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O5 .1235 .3577 .8750 1.05 |
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O6 .1239 .3567 .3657 1.13 |
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O7 .2201 .4955 .6780 1.29 |
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O8 .1811 .5887 .3703 .85 |
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O9 .1823 .5912 .0119 84 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
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| |
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