|
Brandholzite |
 |
Friedrich A, Wildner M, Tillmanns E, Merz P L |
 |
American Mineralogist 85 (2000) 593-599 |
|
Crystal chemistry of the new mineral brandholzite, Mg(H2O)6[Sb(OH)6]2, |
|
and of the synthetic analogues M(H2O)6[Sb(OH)6]2 (Me=Mg,Co) |
|
_database_code_amcsd 0002426 |
|
16.119 16.119 9.868 90 90 120 P3 |
|
atom x y z Uiso |
|
Sb1 0 0 0 .0109 |
|
Sb2 2/3 1/3 -.08211 .0107 |
|
Sb3 1/3 2/3 .00883 .0104 |
|
Sb4 0 0 .49757 .0103 |
|
Sb5 2/3 1/3 .42305 .0101 |
|
Sb6 1/3 2/3 .50490 .0100 |
|
Sb7 .32739 -.00737 .47077 .0113 |
|
Sb8 .66781 .00662 .45371 .0108 |
|
Mg1 .33825 .00882 -.03108 .0142 |
|
Mg2 .66274 -.00884 -.04466 .0149 |
|
H21 .528 .297 .555 .037 |
|
H22 .575 .185 .328 .037 |
|
H23 .271 .513 .607 .037 |
|
H24 .360 .806 .375 .037 |
|
H25 .286 .096 .356 .037 |
|
H26 .429 .149 .558 .037 |
|
H27 .474 .025 .349 .037 |
|
H28 .363 -.110 .597 .037 |
|
H29 .221 -.145 .358 .037 |
|
H30 .198 -.046 .595 .037 |
|
H31 .568 .050 .573 .037 |
|
H32 .704 .145 .308 .037 |
|
H33 .812 .116 .572 .037 |
|
H34 .769 -.042 .356 .037 |
|
H35 .643 -.134 .581 .037 |
|
H36 .514 -.096 .366 .037 |
|
H01 .017 .099 -.187 .037 |
|
H02 .101 .100 .181 .037 |
|
H03 .573 .239 -.263 .037 |
|
H04 .672 .239 .085 .037 |
|
H05 .329 .571 .196 .037 |
|
H06 .337 .771 -.182 .037 |
|
H071 .330 .150 -.122 .037 |
|
H072 .339 .118 -.222 .037 |
|
H081 .464 .169 .074 .037 |
|
H082 .433 .104 .178 .037 |
|
H091 .447 .010 -.228 .037 |
|
H092 .495 .090 -.153 .037 |
|
H101 .349 -.089 .169 .037 |
|
H102 .363 -.126 .040 .037 |
|
H111 .233 -.101 -.250 .037 |
|
H112 .205 -.146 -.131 .037 |
|
H121 .178 -.023 .051 .037 |
|
H122 .228 -.003 .170 .037 |
|
H131 .529 .012 .042 .037 |
|
H132 .568 .009 .153 .037 |
|
H141 .671 .106 -.229 .037 |
|
H142 .687 .154 -.114 .037 |
|
H151 .818 .060 .089 .037 |
|
H152 .765 .087 .156 .037 |
|
H161 .775 .009 -.244 .037 |
|
H162 .795 -.045 -.155 .037 |
|
H171 .576 -.162 .086 .037 |
|
H172 .654 -.109 .165 .037 |
|
H181 .500 -.136 -.158 .037 |
|
H182 .552 -.107 -.250 .037 |
|
H19 .033 .132 .372 .037 |
|
H20 .156 .096 .599 .037 |
|
O1 .0335 .1144 -.1107 .0176 |
|
O2 .1132 .0835 .1123 .0186 |
|
O3 .5822 .2204 -.1939 .0172 |
|
O4 .6962 .2494 .0283 .0170 |
|
O5 .3049 .5543 .1205 .0175 |
|
O6 .3635 .7805 -.1021 .0176 |
|
O7 .3147 .0983 -.1531 .0241 |
|
O8 .4311 .1157 .0942 .0277 |
|
O9 .4532 .0333 -.1505 .0204 |
|
O10 .3626 -.0845 .0861 .0208 |
|
O11 .2517 -.1062 -.1534 .0226 |
|
O12 .2227 -.0206 .0869 .0223 |
|
O13 .5762 .0190 .0784 .0233 |
|
O14 .6914 .1107 -.1570 .0207 |
|
O15 .7782 .0775 .0751 .0195 |
|
O16 .7547 -.0277 -.1709 .0218 |
|
O17 .6328 -.1266 .0706 .0231 |
|
O18 .5524 -.0982 -.1673 .0281 |
|
O19 .0648 .1141 .3770 .0157 |
|
O20 .1135 .0411 .6127 .0166 |
|
O21 .5522 .2693 .5424 .0154 |
|
O22 .6218 .2189 .3076 .0173 |
|
O23 .2648 .5522 .6189 .0174 |
|
O24 .3946 .7809 .3844 .0160 |
|
O25 .2607 .0407 .3524 .0193 |
|
O26 .3740 .1100 .5807 .0166 |
|
O27 .4435 .0564 .3556 .0163 |
|
O28 .3965 -.0510 .5901 .0182 |
|
O29 .2803 -.1236 .3575 .0183 |
|
O30 .2117 -.0734 .5860 .0173 |
|
O31 .6215 .0747 .5732 .0177 |
|
O32 .7343 .1190 .3335 .0164 |
|
O33 .7842 .0595 .5679 .0165 |
|
O34 .7100 -.0652 .3390 .0169 |
|
O35 .6074 -.1073 .5751 .0167 |
|
O36 .5500 -.0413 .3456 .0153 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Co(H2O)6[Sb(OH)6]2 |
| |
Friedrich A, Wildner M, Tillmanns E, Merz P L |
|
American Mineralogist 85 (2000) 593-599 |
|
Crystal chemistry of the new mineral brandholzite, Mg(H2O)6[Sb(OH)6]2, |
|
and of the synthetic analogues M(H2O)6[Sb(OH)6]2 (Me=Mg,Co) |
|
_database_code_amcsd 0002427 |
|
16.105 16.105 9.851 90 90 120 P3 |
|
atom x y z Uiso |
|
Sb1 0 0 0 .0107 |
|
Sb2 2/3 1/3 -.00850 .0116 |
|
Sb3 1/3 2/3 -.09218 .0118 |
|
Sb4 0 0 .49620 .0104 |
|
Sb5 2/3 1/3 .48833 .0119 |
|
Sb6 1/3 2/3 .41225 .0106 |
|
Sb7 .33208 .00551 .46350 .0125 |
|
Sb8 .66045 -.00523 .44466 .0100 |
|
Co1 .33755 -.00376 -.03589 .0165 |
|
Co2 .67454 .00358 -.05172 .0146 |
|
O1 .0295 .1136 -.1118 .0168 |
|
O2 .1115 .0847 .1127 .0183 |
|
O3 .7470 .2999 -.1210 .0196 |
|
O4 .7795 .4172 .1031 .0175 |
|
O5 .3625 .5827 .0196 .0189 |
|
O6 .3045 .7501 -.2062 .0205 |
|
O7 .3059 .0813 -.1649 .0222 |
|
O8 .4228 .1141 .0816 .0234 |
|
O9 .4526 .0231 -.1658 .0254 |
|
O10 .3565 -.0941 .0875 .0280 |
|
O11 .2466 -.1217 -.1602 .0210 |
|
O12 .2180 -.0302 .0812 .0206 |
|
O13 .5878 .0349 .0648 .0195 |
|
O14 .6962 .1165 -.1828 .0195 |
|
O15 .7944 .0933 .0617 .0248 |
|
O16 .7633 -.0207 -.1787 .0291 |
|
O17 .6451 -.1129 .0692 .0219 |
|
O18 .5535 -.0855 -.1688 .0180 |
|
O19 .0617 .1145 .3751 .0147 |
|
O20 .1146 .0457 .6099 .0172 |
|
O21 .7810 .3748 .6027 .0175 |
|
O22 .7155 .2681 .3667 .0160 |
|
O23 .2184 .6033 .5322 .0163 |
|
O24 .4479 .7357 .2973 .0175 |
|
O25 .2631 .0532 .3474 .0165 |
|
O26 .3816 .1210 .5767 .0166 |
|
O27 .4469 .0718 .3425 .0176 |
|
O28 .4038 -.0409 .5705 .0171 |
|
O29 .2805 -.1100 .3451 .0162 |
|
O30 .2189 -.0640 .5804 .0174 |
|
O31 .6077 .0577 .5575 .0170 |
|
O32 .7320 .1078 .3270 .0161 |
|
O33 .7746 .0488 .5639 .0181 |
|
O34 .7092 -.0744 .3336 .0162 |
|
O35 .5929 -.1200 .5623 .0180 |
|
O36 .5478 -.0516 .3216 .0168 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Henritermierite |
|
Armbruster T, Kohler T, Libowitzky E, Friedrich A, Miletich R, |
|
Kunz M, Medenbach O, Gutzmer J |
|
American Mineralogist 86 (2001) 147-158 |
|
Structure, compressibility, hydrogen bonding, and dehydration of the tetragonal |
|
Mn3+ hydrogarnet, henritermierite |
|
Sample: T = 100 K |
|
_database_code_amcsd 0002619 |
|
12.468 12.468 11.894 90 90 90 *I4_1/acd |
|
.5 .25 .125 |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .967 .00299 .00320 .00265 .00041 -.00043 -.00043 |
|
Al1 0 0 0 .033 .00299 .00320 .00265 .00041 -.00043 -.00043 |
|
Ca1 .36177 0 .25 .0034 .0041 .0042 0 0 -.00074 |
|
Ca2 0 .25 .125 .00454 .00454 .0043 -.0011 0 0 |
|
Si1 .11595 0 .25 .0027 .0037 .0030 0 0 -.0004 |
|
O1 .29522 .71857 .09654 .0057 .0045 .0034 -.0005 .0002 -.0008 |
|
O2 .15985 .55463 .05400 .0047 .0050 .0049 -.0011 .0007 .0008 |
|
O3 .4427 .3601 .0219 .954 .0058 .0054 .0052 -.0006 .0013 -.0003 |
|
Si2 .5 .25 .125 .044 .4 |
|
H3 .432 .350 .083 .95 2.1 |
|
O3a .454 .347 .030 .044 .79 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Henritermierite |
|
Armbruster T, Kohler T, Libowitzky E, Friedrich A, Miletich R, |
|
Kunz M, Medenbach O, Gutzmer J |
|
American Mineralogist 86 (2001) 147-158 |
|
Structure, compressibility, hydrogen bonding, and dehydration of the tetragonal |
|
Mn3+ hydrogarnet, henritermierite |
|
Sample: T = 293 K |
|
_database_code_amcsd 0002620 |
|
12.489 12.489 11.909 90 90 90 *I4_1/acd |
|
.5 .25 .125 |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .967 .00571 .00572 .00478 .00100 -.00063 -.00075 |
|
Al1 0 0 0 .033 .00571 .00572 .00478 .00100 -.00063 -.00075 |
|
Ca1 .36180 0 .25 .00605 .00740 .00775 0 0 -.00111 |
|
Ca2 0 .25 .125 .00918 .00918 .0072 -.00300 0 0 |
|
Si1 .11599 0 .25 .0045 .0057 .0046 0 0 -.00035 |
|
O1 .29485 .71842 .09651 .0094 .0070 .0056 -.0009 .0003 -.0011 |
|
O2 .15990 .55480 .05381 .0071 .0085 .0074 -.0018 .0008 .0012 |
|
O3 .44271 .36023 .02146 .947 .0093 .0071 .0083 -.0014 .0022 -.0007 |
|
Si2 .5 .25 .125 .047 .6 |
|
H3 .433 .354 .080 .95 4.6 |
|
O3a .456 .346 .036 .044 .79 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Henritermierite |
|
Armbruster T, Kohler T, Libowitzky E, Friedrich A, Miletich R, |
|
Kunz M, Medenbach O, Gutzmer J |
|
American Mineralogist 86 (2001) 147-158 |
|
Structure, compressibility, hydrogen bonding, and dehydration of the tetragonal |
|
Mn3+ hydrogarnet, henritermierite |
|
Sample: P = 8.6 GPa |
|
_database_code_amcsd 0002621 |
|
12.1577 12.1577 11.6919 90 90 90 *I4_1/acd |
|
.5 .25 .125 |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mn1 0 0 0 .00133 .00149 .00164 .00018 -.00015 .00009 |
|
Ca1 .36427 0 .25 .00149 .00172 .00190 0 0 .00009 |
|
Ca2 0 .25 .125 .00172 .00172 .00173 -.00090 0 0 |
|
Si1 .11789 0 .25 .947 .74 |
|
O1 .29942 .71776 .09575 .91 |
|
O2 .15909 .55218 .05617 .86 |
|
O3 .44546 .35596 .02735 .76 |
|
Si2 .5 .25 .125 .047 .8 |
|
H3 .433 .354 .08 .95 5.0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Henritermierite |
|
Armbruster T, Kohler T, Libowitzky E, Friedrich A, Miletich R, |
|
Kunz M, Medenbach O, Gutzmer J |
|
American Mineralogist 86 (2001) 147-158 |
|
Structure, compressibility, hydrogen bonding, and dehydration of the tetragonal |
|
Mn hydrogarnet, henritermierite |
|
Sample: T = 293 K after heating to 800 K |
|
_database_code_amcsd 0002622 |
|
12.1225 12.1225 12.1225 90 90 90 Ia-3d |
|
atom x y z occ Biso |
|
Mn1 0 0 0 1.33 |
|
Mn2 .312 .062 3/8 .044 .79 |
|
Ca 0 .25 .125 1.42 |
|
Si1 3/8 0 .25 .81 .9 |
|
O .4627 -.0487 .1540 2.0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hydroxylclinohumite |
| |
Friedrich A, Lager G A, Kunz M, Chakoumakos B C, Smyth J R, Schultz A J |
|
American Mineralogist 86 (2001) 981-989 |
|
Temperature-dependent single-crystal neutron diffraction study of natural |
|
chondrodite and clinohumite |
|
Sample from Val Malenco, Italy at T = 295 K |
|
_database_code_amcsd 0002660 |
|
4.7344 10.286 13.713 101.042 90 90 P2_1/b |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg(1)c .5 0 .5 .89 .0077 .0063 .0105 .0067 .00006 .00042 .0026 |
|
Fe(1)c .5 0 .5 .11 .0077 .0063 .0105 .0067 .00006 .00042 .0026 |
|
Mg(1)n .4965 .9459 .27458 .89 .0080 .0040 .0119 .0078 .00017 .00093 .0008 |
|
Fe(1)n .4965 .9459 .27458 .11 .0080 .0040 .0119 .0078 .00017 .00093 .0008 |
|
Mg(2)5 .0137 .1399 .16997 .92 .0078 .0065 .0095 .0081 .00007 .00027 .0029 |
|
Fe(2)5 .0137 .1399 .16997 .08 .0078 .0065 .0095 .0081 .00007 .00027 .0029 |
|
Mg(2)6 .5103 .2504 .38774 .91 .0078 .0065 .0084 .0087 .00043 .00029 .0018 |
|
Fe(2)6 .5103 .2504 .38774 .09 .0078 .0065 .0084 .0087 .00043 .00029 .0018 |
|
Mg(3) .4894 .8763 .0436 .65 .0066 .0059 .0065 .0091 .0020 .0005 .0052 |
|
Fe(3) .4894 .8763 .0436 .12 .0066 .0059 .0065 .0091 .0020 .0005 .0052 |
|
Ti(3) .4894 .8763 .0436 .227 .0066 .0059 .0065 .0091 .0020 .0005 .0052 |
|
Si1 .0730 .0666 .3899 .0062 .0027 .0092 .0070 .0005 .0005 .0022 |
|
Si2 .0757 .1765 .8349 .0063 .0031 .0085 .0074 .0002 .0005 .0013 |
|
O1,1 .7332 .0644 .3883 .0082 .0051 .0108 .0087 .0002 .0002 .0015 |
|
O1,2 .2805 .4204 .38773 .0073 .0048 .0086 .0089 .0001 .0001 .0025 |
|
O1,3 .2220 .1129 .29424 .0080 .0048 .0115 .0086 .0000 .0007 .0039 |
|
O1,4 .2205 .1588 .48682 .0083 .0064 .0099 .0081 .0001 .0001 .0006 |
|
O2,1 .2355 .3233 .16345 .0078 .0037 .0109 .0092 .0004 .0004 .0028 |
|
O2,2 .7774 .9680 .16351 .0082 .0061 .0091 .0100 .0004 .0002 .0028 |
|
O2,3 .7234 .2792 .2614 .0087 .0061 .0113 .0097 .0002 .0002 .0045 |
|
O2,4 .7245 .2285 .0692 .0090 .0068 .0111 .0084 .0003 .0013 .0001 |
|
O(H) .2569 .0448 .0534 .0133 .0123 .0141 .0129 .0000 .0040 .0006 |
|
H .081 .0124 .0115 .46 .0207 .0166 .0235 .0209 .0038 .0064 .0004 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hydroxylclinohumite |
| |
Friedrich A, Lager G A, Kunz M, Chakoumakos B C, Smyth J R, Schultz A J |
|
American Mineralogist 86 (2001) 981-989 |
|
Temperature-dependent single-crystal neutron diffraction study of natural |
|
chondrodite and clinohumite |
|
Sample: from Val Malenco, Italy at T = 100 K |
|
_database_code_amcsd 0002661 |
|
4.7282 10.273 13.702 101.004 90 90 P2_1/b |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg(1)c .5 0 .5 .91 .0047 .0024 .0073 .0046 .0010 .0009 .0015 |
|
Fe(1)c .5 0 .5 .09 .0047 .0024 .0073 .0046 .0010 .0009 .0015 |
|
Mg(1)n .4961 .9458 .2747 .89 .0053 .0036 .0081 .0044 .0000 .0001 .0013 |
|
Fe(1)n .4961 .9458 .2747 .11 .0053 .0036 .0081 .0044 .0000 .0001 .0013 |
|
Mg(2)5 .0139 .1400 .1699 .92 .0052 .0039 .0064 .0055 .0001 .0002 .0015 |
|
Fe(2)5 .0139 .1400 .1699 .08 .0052 .0039 .0064 .0055 .0001 .0002 .0015 |
|
Mg(2)6 .5097 .2501 .3880 .91 .0055 .0028 .0075 .0060 .0008 .0002 .0010 |
|
Fe(2)6 .5097 .2501 .3880 .09 .0055 .0028 .0075 .0060 .0008 .0002 .0010 |
|
Mg(3) .4890 .8766 .0436 .65 .0040 .0048 .0025 .0053 .0013 .0007 .0019 |
|
Fe(3) .4890 .8766 .0436 .13 .0040 .0048 .0025 .0053 .0013 .0007 .0019 |
|
Ti(3) .4890 .8766 .0436 .227 .0040 .0048 .0025 .0053 .0013 .0007 .0019 |
|
Si1 .0736 .0673 .3900 .0049 .0026 .0070 .0052 .0008 .0000 .0013 |
|
Si2 .0760 .1764 .8351 .0048 .0027 .0070 .0044 .0003 .0001 .0002 |
|
O1,1 .7322 .0645 .3882 .0057 .0027 .0090 .0053 .0002 .0000 .0015 |
|
O1,2 .2801 .4203 .3879 .0063 .0048 .0069 .0075 .0004 .0010 .0020 |
|
O1,3 .2224 .1126 .2941 .0061 .0041 .0088 .0055 .0003 .0007 .0016 |
|
O1,4 .2212 .1585 .4866 .0060 .0032 .0085 .0060 .0009 .0003 .0005 |
|
O2,1 .2352 .3237 .1634 .0064 .0031 .0093 .0068 .0005 .0003 .0017 |
|
O2,2 .7769 .9683 .1632 .0061 .0043 .0081 .0063 .0000 .0002 .0020 |
|
O2,3 .7233 .2791 .2616 .0064 .0034 .0096 .0070 .0001 .0002 .0036 |
|
O2,4 .7256 .2281 .0691 .0068 .0056 .0079 .0068 .0001 .0018 .0005 |
|
O(H) .2562 .0450 .0534 .0108 .0102 .0115 .0098 .0005 .0032 .0005 |
|
H .082 .0114 .0110 .48 .0196 .0125 .0204 .0239 .0037 .0055 .0018 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hydroxylclinohumite |
| |
Friedrich A, Lager G A, Kunz M, Chakoumakos B C, Smyth J R, Schultz A J |
|
American Mineralogist 86 (2001) 981-989 |
|
Temperature-dependent single-crystal neutron diffraction study of natural |
|
chondrodite and clinohumite |
|
Sample: from Val Malenco, Italy at T = 20 K |
|
_database_code_amcsd 0002662 |
|
4.7313 10.274 13.695 101.029 90 90 P2_1/b |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg(1)c .5 0 .5 .91 .0044 .0026 .0068 .0042 .0003 .0001 .0017 |
|
Fe(1)c .5 0 .5 .09 .0044 .0026 .0068 .0042 .0003 .0001 .0017 |
|
Mg(1)n .4966 .9457 .2747 .89 .0045 .0013 .0070 .0050 .0002 .0002 .0008 |
|
Fe(1)n .4966 .9457 .2747 .11 .0045 .0013 .0070 .0050 .0002 .0002 .0008 |
|
Mg(2)5 .0145 .1403 .1700 .92 .0046 .0024 .0065 .0054 .0001 .0007 .0024 |
|
Fe(2)5 .0145 .1403 .1700 .08 .0046 .0024 .0065 .0054 .0001 .0007 .0024 |
|
Mg(2)6 .5095 .2495 .3879 .93 .0044 .0021 .0060 .0052 .0002 .0004 .0013 |
|
Fe(2)6 .5095 .2495 .3879 .07 .0044 .0021 .0060 .0052 .0002 .0004 .0013 |
|
Mg(3) .4890 .8766 .0437 .65 .0035 .0025 .0031 .0062 .0027 .0007 .0039 |
|
Fe(3) .4890 .8766 .0437 .13 .0035 .0025 .0031 .0062 .0027 .0007 .0039 |
|
Ti(3) .4890 .8766 .0437 .227 .0035 .0025 .0031 .0062 .0027 .0007 .0039 |
|
Si1 .0736 .0670 .3900 .0046 .0025 .0064 .0055 .0001 .0005 .0024 |
|
Si2 .0751 .1765 .8351 .0043 .0011 .0070 .0048 .0004 .0005 .0009 |
|
O1,1 .7323 .0643 .3882 .0054 .0024 .0073 .0064 .0002 .0003 .0009 |
|
O1,2 .2806 .4202 .3880 .0053 .0043 .0056 .0065 .0006 .0001 .0023 |
|
O1,3 .2221 .1127 .2941 .0061 .0033 .0085 .0066 .0005 .0003 .0019 |
|
O1,4 .2212 .1588 .4866 .0055 .0036 .0072 .0054 .0005 .0004 .0005 |
|
O2,1 .2350 .3234 .1633 .0055 .0015 .0078 .0079 .0013 .0005 .0027 |
|
O2,2 .7768 .9688 .1633 .0057 .0030 .0072 .0072 .0000 .0000 .0019 |
|
O2,3 .7236 .2792 .2615 .0058 .0027 .0086 .0072 .0004 .0002 .0043 |
|
O2,4 .7253 .2286 .0690 .0063 .0045 .0066 .0075 .0001 .0011 .0007 |
|
O(H) .2563 .0450 .0534 .0107 .0095 .0121 .0103 .0005 .0034 .0011 |
|
H1 .083 .0126 .0114 .47 .0188 .0154 .0213 .0191 .0020 .0083 .0018 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Clinohumite |
|
Friedrich A, Lager G A, Kunz M, Chakoumakos B C, Smyth J R, Schultz A J |
|
American Mineralogist 86 (2001) 981-989 |
|
Temperature-dependent single-crystal neutron diffraction study of natural |
|
chondrodite and clinohumite |
|
Sample: from Kukh-i-Lal, Pamir, Tadjikistan at T = 295 K |
|
_database_code_amcsd 0002663 |
|
4.7404 10.2380 13.651 100.909 90 90 P2_1/b |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg(1)c .5 0 .5 .0059 .0052 .0077 .0054 .00010 .00006 .00267 |
|
Mg(1)n .4973 .9463 .27416 .0059 .0052 .0070 .0049 .00019 .00026 .00003 |
|
Mg(2)5 .0109 .1401 .16985 .0061 .0065 .0058 .0065 .00013 .00016 .00221 |
|
Mg(2)6 .5085 .2502 .38824 .0058 .0058 .0054 .0064 .00012 .00021 .00126 |
|
Mg(3) .4921 .8764 .0434 .896 .0048 .0055 .0046 .0049 .0002 .0009 .0023 |
|
Ti(3) .4921 .8764 .0434 .104 .0048 .0055 .0046 .0049 .0002 .0009 .0023 |
|
Si1 .0730 .0664 .3896 .0042 .0036 .0049 .0041 .0001 .0009 .0010 |
|
Si2 .0764 .1769 .8352 .0038 .0024 .0048 .0042 .0002 .0001 .0006 |
|
O1,1 .7331 .0643 .38799 .0054 .0039 .0069 .0056 .00029 .00057 .00150 |
|
O1,2 .2785 .41952 .38773 .0056 .0056 .0049 .0065 .00066 .00038 .00158 |
|
O1,3 .2227 .1122 .29331 .0058 .0058 .0070 .0052 .00027 .00033 .00256 |
|
O1,4 .2217 .1586 .48644 .0058 .0052 .0066 .0052 .00084 .00002 .00007 |
|
O2,1 .2358 .3229 .16276 .0054 .0034 .0067 .0065 .00008 .00010 .00176 |
|
O2,2 .7778 .96863 .16281 .0061 .0068 .0052 .0064 .00020 .00016 .00126 |
|
O2,3 .7244 .2797 .26225 .0060 .0057 .0073 .0056 .00012 .00023 .00294 |
|
O2,4 .7274 .2274 .06980 .0061 .0057 .0064 .0056 .00004 .00120 .00032 |
|
O(H) .2616 .0458 .05494 .44 .0082 .0090 .0076 .0085 .00085 .00340 .00188 |
|
H .088 .0120 .0116 .40 .0209 .0164 .0240 .0203 .0042 .0060 .0017 |
|
F .2616 .0458 .05495 .54 .0082 .0090 .0076 .0085 .00085 .0034 .00188 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Clinohumite |
|
Friedrich A, Lager G A, Kunz M, Chakoumakos B C, Smyth J R, Schultz A J |
|
American Mineralogist 86 (2001) 981-989 |
|
Temperature-dependent single-crystal neutron diffraction study of natural |
|
chondrodite and clinohumite |
|
Sample: from Kukh-i-Lal, Pamir, Tadjikistan at T = 100 K |
|
_database_code_amcsd 0002664 |
|
4.7366 10.226 13.636 100.904 90 90 P2_1/b |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg(1)c .5 0 .5 .0033 .0027 .0049 .0028 .00000 .0002 .00201 |
|
Mg(1)n .4971 .9462 .27420 .0031 .0025 .0043 .0025 .00004 .0001 .00054 |
|
Mg(2)5 .0107 .1403 .16975 .0036 .0039 .0035 .0038 .00030 .0002 .00191 |
|
Mg(2)6 .5084 .2497 .38817 .0035 .0035 .0041 .0029 .00083 .0004 .00099 |
|
Mg(3) .4921 .8768 .0435 .886 .0016 .0026 .0009 .0022 .00104 .0001 .00237 |
|
Ti(3) .4921 .8768 .0435 .114 .0016 .0026 .0009 .0022 .00104 .0001 .00237 |
|
Si1 .0737 .0663 .3894 .0020 .0007 .0034 .0020 .0001 .0003 .0009 |
|
Si2 .0758 .1767 .8350 .0027 .0032 .0035 .0012 .0001 .0002 .0000 |
|
O1,1 .7338 .0642 .38791 .0031 .0028 .0037 .0030 .00010 .00003 .00144 |
|
O1,2 .2782 .4193 .38780 .0034 .0035 .0035 .0035 .00054 .00031 .00105 |
|
O1,3 .2231 .1122 .29322 .0033 .0037 .0035 .0029 .00030 .00079 .00089 |
|
O1,4 .2222 .1586 .48660 .0036 .0035 .0039 .0035 .00003 .00015 .00108 |
|
O2,1 .2347 .3228 .16275 .0031 .0022 .0038 .0034 .00008 .00061 .00094 |
|
O2,2 .7771 .9689 .16261 .0034 .0040 .0030 .0035 .00003 .00006 .00105 |
|
O2,3 .7251 .2797 .26241 .0036 .0043 .0040 .0028 .00011 .00076 .00148 |
|
O2,4 .7285 .2270 .06971 .0035 .0037 .0044 .0024 .00038 .00043 .00033 |
|
O(H) .2620 .0459 .05503 .52 .0064 .0078 .0059 .0057 .00043 .00309 .00113 |
|
H .088 .0118 .0118 .41 .0190 .0157 .0199 .0193 .0025 .0072 .0025 |
|
F .2620 .0459 .05503 .49 .0064 .0078 .0059 .0057 .0004 .0031 .0011 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Clinohumite |
|
Friedrich A, Lager G A, Kunz M, Chakoumakos B C, Smyth J R, Schultz A J |
|
American Mineralogist 86 (2001) 981-989 |
|
Temperature-dependent single-crystal neutron diffraction study of natural |
|
chondrodite and clinohumite |
|
Sample: from Kukh-i-Lal, Pamir, Tadjikistan at T = 20 K |
|
_database_code_amcsd 0002665 |
|
4.7362 10.226 13.635 100.904 90 90 P2_1/b |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg(1)c .5 0 .5 .0031 .0024 .0041 .0032 .00042 .00049 .00148 |
|
Mg(1)n .4974 .9463 .27424 .0032 .0030 .0043 .0023 .00023 .00047 .00058 |
|
Mg(2)5 .0108 .1403 .16970 .0035 .0038 .0037 .0031 .00091 .00021 .00117 |
|
Mg(2)6 .5086 .2495 .38812 .0033 .0036 .0032 .0033 .00044 .00057 .00115 |
|
Mg(3) .4925 .8764 .0436 .892 .0020 .0027 .0015 .0024 .0004 .0005 .0021 |
|
Ti(3) .4925 .8764 .0436 .108 .0020 .0027 .0015 .0024 .0004 .0005 .0021 |
|
Si1 .0735 .0663 .3892 .0022 .0018 .0030 .0022 .0003 .0006 .0014 |
|
Si2 .0756 .1766 .8350 .0023 .0025 .0027 .0017 .0002 .0000 .0004 |
|
O1,1 .7329 .0642 .38787 .0031 .0026 .0042 .0028 .00029 .0009 .00108 |
|
O1,2 .2785 .4193 .38777 .0035 .0037 .0040 .0032 .00015 .0002 .00142 |
|
O1,3 .2235 .1121 .29319 .0034 .0036 .0044 .0027 .00025 .0000 .00140 |
|
O1,4 .2227 .1586 .48637 .0037 .0045 .0037 .0029 .00040 .0005 .00037 |
|
O2,1 .2357 .3229 .16281 .0032 .0022 .0042 .0035 .00019 .0003 .00114 |
|
O2,2 .7777 .9688 .16277 .0033 .0041 .0030 .0031 .00019 .0003 .00095 |
|
O2,3 .7249 .2796 .26237 .0033 .0039 .0045 .0018 .00023 .0002 .00131 |
|
O2,4 .7279 .2271 .06967 .0034 .0033 .0035 .0033 .00010 .0004 .00001 |
|
O(H) .2613 .0461 .05508 .52 .0060 .0077 .0051 .0054 .00047 .0028 .00094 |
|
H .088 .0118 .0122 .42 .0205 .0140 .0245 .0216 .0031 .0058 .0002 |
|
F .2613 .0461 .05508 .49 .0060 .0077 .0051 .0054 .0005 .0028 .00094 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Chondrodite |
|
Friedrich A, Lager G A, Kunz M, Chakoumakos B C, Smyth J R, Schultz A J |
|
American Mineralogist 86 (2001) 981-989 |
|
Temperature-dependent single-crystal neutron diffraction study of natural |
|
chondrodite and clinohumite |
|
Sample from Tilley Foster Mine, Brewster, NY at T = 295 K |
|
_database_code_amcsd 0002666 |
|
4.7401 10.2843 7.8831 109.097 90 90 P2_1/b |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg(1) .5 0 .5 .880 .0089 .00643 .00867 .01003 .00046 .00028 .00184 |
|
Fe(1) .5 0 .5 .120 .0089 .00643 .00867 .01003 .00046 .00028 .00184 |
|
Mg(2) .0104 .17356 .3072 .0078 .00628 .00694 .01029 .00027 .00016 .00299 |
|
Mg(3) .4921 .88631 .0792 .0088 .00784 .00850 .00961 .00005 .00039 .00289 |
|
Si1 .0760 .1442 .7040 .0067 .0034 .0073 .0089 .00003 .00029 .00250 |
|
O1 .7792 .00099 .2941 .0086 .00734 .00758 .01077 .00008 .00016 .00323 |
|
O2 .7268 .24079 .1251 .0087 .00645 .00786 .00997 .00016 .00067 .00112 |
|
O3 .2238 .16899 .5286 .0090 .00687 .01006 .00995 .00029 .00020 .00414 |
|
O4 .2646 .85471 .2946 .0086 .00505 .00926 .01092 .00008 .00002 .00306 |
|
O(H) .2593 .05668 .0988 .430 .0114 .01050 .00973 .01374 .00166 .00327 .00402 |
|
H .0895 .0138 .0190 .430 .0269 .0145 .0304 .0280 .0045 .0067 .0029 |
|
F .2593 .05668 .0988 .570 .0114 .01050 .00973 .01374 .00166 .00327 .00402 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Chondrodite |
|
Friedrich A, Lager G A, Kunz M, Chakoumakos B C, Smyth J R, Schultz A J |
|
American Mineralogist 86 (2001) 981-989 |
|
Temperature-dependent single-crystal neutron diffraction study of natural |
|
chondrodite and clinohumite |
|
Sample: from Tilley Foster Mine, Brewster, NY at T = 100 K |
|
_database_code_amcsd 0002667 |
|
4.7345 10.2674 7.8716 109.060 90 90 P2_1/b |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg(1) .5 0 .5 .89 .0060 .00568 .00538 .00548 .00019 .00001 .00048 |
|
Fe(1) .5 0 .5 .11 .0060 .00568 .00538 .00548 .00019 .00001 .00048 |
|
Mg(2) .0102 .17377 .3069 .0054 .00476 .00497 .00568 .00002 .00031 .00114 |
|
Mg(3) .4924 .88658 .0794 .0066 .00622 .00624 .00638 .00012 .00012 .00154 |
|
Si1 .0758 .1442 .7041 .0054 .0039 .0055 .0055 .00010 .00007 .00091 |
|
O1 .7788 .00120 .2940 .0066 .00635 .00599 .00680 .00004 .00018 .00169 |
|
O2 .7272 .24065 .1252 .0066 .00572 .00582 .00642 .00004 .00060 .00024 |
|
O3 .2239 .16886 .5284 .0069 .00614 .00737 .00642 .00020 .00008 .00218 |
|
O4 .2649 .85492 .2948 .0066 .00475 .00695 .00683 .00023 .00004 .00147 |
|
O(H) .2590 .05679 .0987 .432 .0086 .00875 .00748 .00862 .00091 .00240 .00207 |
|
H .0885 .0135 .0194 .432 .0218 .0118 .0258 .0215 .0035 .0052 .0027 |
|
F .2590 .05679 .0987 .568 .0086 .00875 .00748 .00862 .00091 .00240 .00207 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Chondrodite |
|
Friedrich A, Lager G A, Kunz M, Chakoumakos B C, Smyth J R, Schultz A J |
|
American Mineralogist 86 (2001) 981-989 |
|
Temperature-dependent single-crystal neutron diffraction study of natural |
|
chondrodite and clinohumite |
|
Sample from Tilley Foster Mine, Brewster, NY at T = 10 K |
|
_database_code_amcsd 0002668 |
|
4.7321 10.2641 7.8673 109.052 90 90 P2_1/b |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg(1) .5 0 .5 .89 .0055 .00398 .00584 .00492 .00006 .00005 .00021 |
|
Fe(1) .5 0 .5 .11 .0055 .00398 .00584 .00492 .00006 .00005 .00021 |
|
Mg(2) .0102 .17382 .3069 .0050 .00345 .00476 .00582 .00036 .00030 .00095 |
|
Mg(3) .4925 .88651 .0795 .0060 .00501 .00612 .00599 .00044 .00038 .00127 |
|
Si1 .0761 .1443 .7041 .0048 .0034 .0050 .0052 .00021 .00025 .00094 |
|
O1 .7789 .00113 .2939 .0061 .00528 .00586 .00650 .00000 .00001 .00153 |
|
O2 .7273 .24056 .1251 .0061 .00456 .00592 .00612 .00040 .00068 .00024 |
|
O3 .2241 .16887 .5284 .0063 .00483 .00708 .00617 .00011 .00018 .00195 |
|
O4 .2651 .85480 .2947 .0063 .00425 .00684 .00668 .00023 .00027 .00143 |
|
O(H) .2590 .05677 .0987 .422 .0080 .00788 .00694 .00832 .00094 .00235 .00185 |
|
H .0896 .0139 .0192 .422 .0201 .0100 .0232 .0200 .0029 .0034 .0003 |
|
F .2590 .05677 .0987 .578 .0080 .00788 .00694 .0083 .00094 .00235 .00185 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Chondrodite |
|
Friedrich A, Lager G A, Ulmer P, Kunz M, Marshall W G |
|
American Mineralogist 87 (2002) 931-939 |
|
High-pressure single-crystal X-ray and powder neutron study of |
|
F,OH/OD-chondrodite: Compressibility, structure, and hydrogen bonding |
|
Sample: P = 0.0001 GPa, X-ray |
|
_database_code_amcsd 0002860 |
|
4.7328 10.2765 7.8760 109.081 90 90 P2_1/b |
|
atom x y z occ Uiso |
|
MgM1 1/2 0 1/2 .90 .009 |
|
FeM1 1/2 0 1/2 .10 .009 |
|
MgM2 .0115 .1731 .3076 .008 |
|
MgM3 .4922 .8868 .0783 .010 |
|
Si .0773 .1432 .7051 .0085 |
|
O1 .782 -.001 .295 .013 |
|
O2 .727 .243 .125 .011 |
|
O3 .223 .165 .532 .013 |
|
O4 .266 .852 .296 .013 |
|
OH5 .261 .056 .100 .42 .014 |
|
F5 .261 .056 .100 .58 .014 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Chondrodite |
|
Friedrich A, Lager G A, Ulmer P, Kunz M, Marshall W G |
|
American Mineralogist 87 (2002) 931-939 |
|
High-pressure single-crystal X-ray and powder neutron study of |
|
F,OH/OD-chondrodite: Compressibility, structure, and hydrogen bonding |
|
Sample: P = 4.952 GPa, X-ray |
|
_database_code_amcsd 0002861 |
|
4.6881 10.1222 7.7660 108.989 90 90 P2_1/b |
|
atom x y z occ Uiso |
|
MgM1 1/2 0 1/2 .90 .010 |
|
FeM1 1/2 0 1/2 .10 .010 |
|
MgM2 .0097 .1746 .3054 .008 |
|
MgM3 .4917 .8871 .0791 .009 |
|
Si .0760 .1441 .7045 .008 |
|
O1 .780 .000 .2936 .014 |
|
O2 .729 .241 .125 .011 |
|
O3 .225 .167 .5286 .014 |
|
O4 .2678 .854 .293 .013 |
|
OH5 .2581 .057 .0985 .42 .014 |
|
F5 .2581 .057 .0985 .58 .014 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Chondrodite |
|
Friedrich A, Lager G A, Ulmer P, Kunz M, Marshall W G |
|
American Mineralogist 87 (2002) 931-939 |
|
High-pressure single-crystal X-ray and powder neutron study of |
|
F,OH/OD-chondrodite: Compressibility, structure, and hydrogen bonding |
|
Sample: P = 9.550 GPa, X-ray |
|
_database_code_amcsd 0002862 |
|
4.65459 10.0033 7.6828 108.939 90 90 P2_1/b |
|
atom x y z occ Uiso |
|
MgM1 1/2 0 1/2 .90 .010 |
|
FeM1 1/2 0 1/2 .10 .010 |
|
MgM2 .0106 .1748 .3054 .009 |
|
MgM3 .4924 .8885 .0800 .010 |
|
Si .0754 .1444 .7038 .010 |
|
O1 .778 .001 .296 .014 |
|
O2 .7306 .239 .123 .010 |
|
O3 .228 .169 .526 .013 |
|
O4 .2694 .853 .295 .013 |
|
OH5 .2581 .056 .0983 .42 .015 |
|
F5 .2581 .056 .0983 .58 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Chondrodite |
|
Friedrich A, Lager G A, Ulmer P, Kunz M, Marshall W G |
|
American Mineralogist 87 (2002) 931-939 |
|
High-pressure single-crystal X-ray and powder neutron study of |
|
F,OH/OD-chondrodite: Compressibility, structure, and hydrogen bonding |
|
Sample: P = 1.26 GPa, Neutron |
|
_database_code_amcsd 0002863 |
|
4.7179 10.2247 7.8290 109.01 90 90 P2_1/b |
|
atom x y z occ Uiso |
|
MgM1 1/2 0 1/2 .0025 |
|
MgM2 .013 .1748 .306 .0025 |
|
MgM3 .495 .8870 .0796 .0025 |
|
Si .0772 .1417 .703 .006 |
|
O1 .775 .0017 .297 .0049 |
|
O2 .732 .2419 .124 .0049 |
|
O3 .225 .1681 .528 .0049 |
|
O4 .267 .8570 .296 .0049 |
|
O5 .263 .058 .103 .45 .008 |
|
F5 .263 .058 .103 .55 .008 |
|
D .108 .022 .019 .45 .040 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Chondrodite |
|
Friedrich A, Lager G A, Ulmer P, Kunz M, Marshall W G |
|
American Mineralogist 87 (2002) 931-939 |
|
High-pressure single-crystal X-ray and powder neutron study of |
|
F,OH/OD-chondrodite: Compressibility, structure, and hydrogen bonding |
|
Sample: P = 2.89 GPa, Neutron |
|
_database_code_amcsd 0002864 |
|
4.7024 10.1742 7.7938 109.00 90 90 P2_1/b |
|
atom x y z occ Uiso |
|
MgM1 1/2 0 1/2 .0034 |
|
MgM2 .010 .1748 .305 .0034 |
|
MgM3 .501 .8860 .079 .0034 |
|
Si .0767 .1410 .706 .004 |
|
O1 .774 .0034 .299 .0063 |
|
O2 .729 .2394 .124 .0063 |
|
O3 .223 .1695 .530 .0063 |
|
O4 .266 .8578 .300 .0063 |
|
O5 .263 .059 .106 .45 .002 |
|
F5 .263 .059 .106 .55 .002 |
|
D .103 .022 .020 .45 .030 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Chondrodite |
|
Friedrich A, Lager G A, Ulmer P, Kunz M, Marshall W G |
|
American Mineralogist 87 (2002) 931-939 |
|
High-pressure single-crystal X-ray and powder neutron study of |
|
F,OH/OD-chondrodite: Compressibility, structure, and hydrogen bonding |
|
Sample: P = 3.87 GPa, Neutron |
|
_database_code_amcsd 0002865 |
|
4.6939 10.1458 7.7722 108.98 90 90 P2_1/b |
|
atom x y z occ Uiso |
|
MgM1 1/2 0 1/2 .0013 |
|
MgM2 .011 .1746 .3050 .0013 |
|
MgM3 .493 .8858 .0786 .0013 |
|
Si .0769 .1407 .704 .003 |
|
O1 .771 .0022 .295 .0052 |
|
O2 .731 .2413 .124 .0052 |
|
O3 .227 .1685 .5278 .0052 |
|
O4 .2676 .8565 .297 .0052 |
|
O5 .262 .059 .103 .45 .006 |
|
F5 .262 .059 .103 .55 .006 |
|
D .099 .021 .024 .45 .031 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Chondrodite |
|
Friedrich A, Lager G A, Ulmer P, Kunz M, Marshall W G |
|
American Mineralogist 87 (2002) 931-939 |
|
High-pressure single-crystal X-ray and powder neutron study of |
|
F,OH/OD-chondrodite: Compressibility, structure, and hydrogen bonding |
|
Sample: P = 5.27 GPa, Neutron |
|
_database_code_amcsd 0002866 |
|
4.6827 10.1055 7.7449 108.98 90 90 P2_1/b |
|
atom x y z occ Uiso |
|
MgM1 1/2 0 1/2 .0022 |
|
MgM2 .011 .1750 .303 .0022 |
|
MgM3 .494 .8864 .0781 .0022 |
|
Si .0775 .1409 .702 .001 |
|
O1 .773 .0022 .296 .0052 |
|
O2 .729 .2411 .123 .0052 |
|
O3 .227 .1692 .525 .0052 |
|
O4 .268 .8565 .296 .0052 |
|
O5 .264 .0572 .101 .45 .002 |
|
F5 .264 .0572 .101 .55 .002 |
|
D .105 .015 .024 .45 .038 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Chondrodite |
|
Friedrich A, Lager G A, Ulmer P, Kunz M, Marshall W G |
|
American Mineralogist 87 (2002) 931-939 |
|
High-pressure single-crystal X-ray and powder neutron study of |
|
F,OH/OD-chondrodite: Compressibility, structure, and hydrogen bonding |
|
Sample: P = 7.04 GPa, Neutron |
|
_database_code_amcsd 0002867 |
|
4.6688 10.0589 7.7127 108.98 90 90 P2_1/b |
|
atom x y z occ Uiso |
|
Mg1 1/2 0 1/2 .0007 |
|
Mg2 .012 .1746 .304 .0007 |
|
Mg3 .497 .8878 .0787 .0007 |
|
Si .0770 .1419 .705 .001 |
|
O1 .774 .0028 .294 .0030 |
|
O2 .735 .2391 .123 .0030 |
|
O3 .225 .1696 .525 .0030 |
|
O4 .268 .8565 .295 .0030 |
|
O5 .261 .057 .100 .45 .006 |
|
F5 .261 .057 .100 .55 .006 |
|
D .102 .021 .027 .45 .037 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Co(H2O)6[Sb(OH)6]2 |
| |
Friedrich A, Mazzi F, Wildner M, Tillmanns E |
|
American Mineralogist 88 (2003) 462-463 |
|
Isotypism of Co(H2O)6[Sb(OH)6]2 with brandholzite and bottinoite |
|
_database_code_amcsd 0002989 |
|
16.105 16.105 9.851 90 90 120 P3 |
|
atom x y z Uiso |
|
Sb1 0 0 .00000 .0116 |
|
Sb2 2/3 1/3 -.08368 .0118 |
|
Sb3 1/3 2/3 .00850 .0107 |
|
Co1 .33709 .00798 -.02739 .0165 |
|
Co2 .66237 -.00787 -.04322 .0146 |
|
O1 .0334 .1138 -.1125 .0196 |
|
O2 .1128 .0839 .1116 .0175 |
|
O3 .5832 .2211 -.1977 .0205 |
|
O4 .6958 .2494 .0281 .0189 |
|
O5 .3035 .5522 .1212 .0183 |
|
O6 .3628 .7803 -.1033 .0168 |
|
O7 .3102 .0962 -.1573 .0254 |
|
O8 .4274 .1173 .0960 .0280 |
|
O9 .4550 .0350 -.1517 .0210 |
|
O10 .3635 -.0851 .0897 .0206 |
|
O11 .2520 -.1087 -.1564 .0222 |
|
O12 .2193 -.0246 .0901 .0234 |
|
O13 .5753 .0216 .0777 .0219 |
|
O14 .6943 .1132 -.1603 .0180 |
|
O15 .7804 .0789 .0733 .0195 |
|
O16 .7536 -.0295 -.1743 .0195 |
|
O17 .6322 -.1277 .0702 .0248 |
|
O18 .5493 -.0966 -.1702 .0291 |
|
Sb4 0 0 .49683 .0119 |
|
Sb5 2/3 1/3 .42075 .0106 |
|
Sb6 1/3 2/3 .50470 .0104 |
|
Sb7 .32782 -.00676 .47200 .0125 |
|
Sb8 .66765 .00622 .45316 .0100 |
|
O19 .0652 .1141 .3752 .0160 |
|
O20 .1143 .0415 .6112 .0175 |
|
O21 .5517 .2670 .5407 .0163 |
|
O22 .6211 .2188 .3058 .0175 |
|
O23 .2644 .5521 .6184 .0172 |
|
O24 .3950 .7812 .3836 .0147 |
|
O25 .2615 .0418 .3510 .0176 |
|
O26 .3742 .1114 .5790 .0171 |
|
O27 .4433 .0572 .3536 .0162 |
|
O28 .3973 -.0504 .5889 .0174 |
|
O29 .2801 -.1234 .3559 .0165 |
|
O30 .2123 -.0727 .5852 .0166 |
|
O31 .6204 .0738 .5708 .0180 |
|
O32 .7339 .1189 .3301 .0168 |
|
O33 .7833 .0590 .5660 .0170 |
|
O34 .7091 -.0653 .3355 .0161 |
|
O35 .6075 -.1079 .5724 .0181 |
|
O36 .5497 -.0425 .3421 .0162 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diaspore |
|
Friedrich A, Wilson D J, Haussuhl E, Winkler B, Morgenroth W, Refson K, Milman V |
| |
Physics and Chemistry of Minerals 34 (2007) 145-157 |
|
High-pressure properties of diaspore, AlO(OH) |
|
Sample: p = 2.0 GPa |
|
_database_code_amcsd 0009052 |
|
4.374 9.39 2.833 90 90 90 Pbnm |
|
atom x y z Uiso |
|
Al .0452 .8558 .25 .002 |
|
O1 .7104 .1994 .25 .002 |
|
O2 .199 .0536 .25 .003 |
|
H .40 .10 .25 .03 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diaspore |
|
Friedrich A, Wilson D J, Haussuhl E, Winkler B, Morgenroth W, Refson K, Milman V |
| |
Physics and Chemistry of Minerals 34 (2007) 145-157 |
|
High-pressure properties of diaspore, AlO(OH) |
|
Sample: p = 3.41 GPa |
|
_database_code_amcsd 0009053 |
|
4.354 9.369 2.8281 90 90 90 Pbnm |
|
atom x y z Uiso |
|
Al .0448 .8568 .25 .009 |
|
O1 .709 .200 .25 .009 |
|
O2 .200 .055 .25 .008 |
|
H .39 .10 .25 .03 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diaspore |
|
Friedrich A, Wilson D J, Haussuhl E, Winkler B, Morgenroth W, Refson K, Milman V |
| |
Physics and Chemistry of Minerals 34 (2007) 145-157 |
|
High-pressure properties of diaspore, AlO(OH) |
|
Sample: p = 4.89 GPa |
|
_database_code_amcsd 0009054 |
|
4.335 9.34 2.820 90 90 90 Pbnm |
|
atom x y z Uiso |
|
Al .0451 .8563 .25 .004 |
|
O1 .7080 .198 .25 .004 |
|
O2 .2010 .053 .25 .004 |
|
H .39 .10 .25 .05 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diaspore |
|
Friedrich A, Wilson D J, Haussuhl E, Winkler B, Morgenroth W, Refson K, Milman V |
| |
Physics and Chemistry of Minerals 34 (2007) 145-157 |
|
High-pressure properties of diaspore, AlO(OH) |
|
Sample: p = 5.71 GPa |
|
_database_code_amcsd 0009055 |
|
4.328 9.336 2.818 90 90 90 Pbnm |
|
atom x y z Uiso |
|
Al .0452 .8568 .25 .003 |
|
O1 .7080 .198 .25 .003 |
|
O2 .2008 .054 .25 .004 |
|
H .38 .11 .25 .09 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diaspore |
|
Friedrich A, Wilson D J, Haussuhl E, Winkler B, Morgenroth W, Refson K, Milman V |
| |
Physics and Chemistry of Minerals 34 (2007) 145-157 |
|
High-pressure properties of diaspore, AlO(OH) |
|
Sample: p = 7.1 GPa |
|
_database_code_amcsd 0009056 |
|
4.315 9.32 2.812 90 90 90 Pbnm |
|
atom x y z Uiso |
|
Al .0447 .8572 .25 .003 |
|
O1 .7069 .1975 .25 .004 |
|
O2 .2005 .0535 .25 .004 |
|
H .35 .12 .25 .03 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
