Szaibelyite
	Takeuchi Y, Kudoh Y
	American Mineralogist 60 (1975) 273-279
	Szaibelyite, Mq2(OH)[B2O4(OH)]: Crystal structure, pseudosymmetry, and
	polymorphism
	_database_code_amcsd 0000453
	12.577 10.393 3.139 90 95.9 90 P2_1/a
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Mg1 .5047 .1372 .2348 .0016 .0013 .0215 .0001 .0028 .0002
	Mg2 .4129 .4208 .7104 .0021 .0019 .0297 .0002 .0024 -.0014
	B1 .1372 .1680 .7598 .0028 .0019 .0383 -.0010 .0029 .0010
	B2 .3072 .0472 .6253 .0030 .0023 .0372 -.0005 .0033 .0014
	O1 .0762 .0616 .7804 .0026 .0023 .0302 .0002 .0024 .0015
	O2 .1012 .2908 .7750 .0029 .0022 .0379 -.0002 .0026 .0001
	O3 .2476 .1548 .7208 .0031 .0030 .0450 0 .0016 -.0018
	Oh4 .2481 .4485 .6078 .0034 .0025 .0379 .0000 .0019 .0043
	O5 .4134 .0434 .7155 .0027 .0021 .3000 -.0002 .0015 .0001
	Oh6 .4084 .2953 .2059 .0027 .0020 .0354 -.0004 .0020 .0006
	H1 .21 .39 .66
	H2 .33 .28 .10
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	Serandite
	Takeuchi Y, Kudoh Y, Yamanaka T
	American Mineralogist 61 (1976) 229-237
	Crystal chemistry of the serandite-pectolite series and related minerals
	_database_code_amcsd 0000499
	7.683 6.889 6.747 90.53 94.12 102.75 P-1
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Mn1 .8527 .5943 .1363 .84 .0031 .0034 .0029 .0007 .0005 .0003
	Ca1 .8527 .5943 .1363 .16 .0031 .0034 .0029 .0007 .0005 .0003
	Mn2 .8497 .0840 .1332 .98 .0030 .0038 .0030 .0011 .0003 -.0001
	Ca2 .8497 .0840 .1332 .02 .0030 .0038 .0030 .0011 .0003 -.0001
	Na .5574 .2548 .3518 .0046 .0096 .0073 .0012 .0011 -.0002
	Si1 .2166 .4025 .3414 .0027 .0025 .0029 .0008 -.0002 -.0002
	Si2 .2071 .9527 .3506 .0027 .0027 .0025 .0009 .0009 -.0002
	Si3 .4546 .7389 .1429 .0020 .0034 .0025 .0006 .0002 .0001
	O1 .6643 .7953 .1146 .0030 .0053 .0054 .0008 .0015 .0005
	O2 .3235 .7079 -.0568 .0034 .0053 .0040 .0006 -.0002 -.0002
	O3 .1809 .4952 .5534 .0065 .0048 .0044 .0030 .0010 -.0003
	O4 .1599 .8458 .5568 .0062 .0043 .0044 .0013 .0015 .0003
	O5 .0611 .3908 .1683 .0033 .0060 .0029 .0007 -.0002 .0003
	O6 .0531 .8930 .1727 .0035 .0056 .0041 .0015 -.0004 -.0007
	O7 .4077 .5331 .2739 .0035 .0049 .0048 .0010 .0000 .0021
	O8 .3974 .9052 .2880 .0033 .0047 .0057 .0016 .0001 -.0017
	O9 .2614 .1899 .3928 .0048 .0033 .0054 .0010 .0003 .0004
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	Ferrobustamite
	Yamanaka T, Sadanaga R, Takeuchi Y
	American Mineralogist 62 (1977) 1216-1224
	Structural variation in the ferrobustamite solid solution
	Wo82Fs18
	Note: the sample is from the Ofuku mine, Yamaguchi Prefecture, Japan
	_database_code_amcsd 0000607
	7.862 7.253 13.967 89.44 95.28 103.29 A-1
	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 .2006 .4175 .3775 .972 .417 .0021 .0025 .0006 .0004 .0001 .0000
	Fe1 .2006 .4175 .3775 .028 .417 .0021 .0025 .0006 .0004 .0001 .0000
	Ca2 .1988 .9329 .3757 .983 .536 .0023 .0027 .0007 .0004 .0001 .0000
	Fe2 .1988 .9329 .3757 .017 .536 .0023 .0027 .0007 .0004 .0001 .0000
	Ca3 .5 .25 .25 .035 .505 .0022 .0025 .0007 .0004 .0001 0
	Fe3 .5 .25 .25 .965 .505 .0022 .0025 .0007 .0004 .0001 0
	Ca4 .5 .75 .25 .986 .536 .0023 .0027 .0007 .0004 .0001 0
	Fe4 .5 .75 .25 .014 .536 .0023 .0027 .0007 .0004 .0001 0
	Si1 .1888 .3960 .6365 .355 .0015 .0018 .0005 .0003 .0001 .0000
	Si2 .1925 .9570 .6315 .631 .0018 .0021 .0005 .0003 .0001 .0000
	Si3 .3971 .7263 .5231 .349 .0015 .0018 .0005 .0003 .0001 .0000
	O1 .4292 .2346 .4026 .724 .0031 .0036 .0009 .0005 .0002 .0000
	O2 .4008 .7237 .4085 .579 .0025 .0029 .0007 .0004 .0001 .0000
	O3 .3177 .4808 .7315 .687 .0030 .0035 .0009 .0005 .0002 .0000
	O4 .3103 .9280 .7292 .900 .0039 .0045 .0012 .0007 .0002 .0000
	O5 .0150 .6213 .3556 .870 .0038 .0044 .0011 .0006 .0002 .0000
	O6 .0129 .1339 .3738 1.043 .0045 .0052 .0013 .0008 .0002 .0000
	O7 .2637 .5183 .5434 .772 .0033 .0039 .0010 .0006 .0002 .0000
	O8 .2787 .8838 .5400 .823 .0036 .0042 .0011 .0006 .0002 .0000
	O9 .2238 .1860 .6188 1.107 .0048 .0056 .0014 .0008 .0003 .0001
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	Chondrodite
	Fujino K, Takeuchi Y
	American Mineralogist 63 (1978) 535-543
	Crystal chemistry of titanian chondrodite and titanian clinohumite of
	high-pressure origin
	_database_code_amcsd 0000667
	4.727 10.318 7.9053 109.333 90 90 P2_1/b
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Mg1 .5 0 .5 .91 .00462 .00121 .00173 -.00004 .00044 .00004
	Fe1 .5 0 .5 .09 .00462 .00121 .00173 -.00004 .00044 .00004
	Mg2 .01538 .17316 .30648 .87 .00623 .00119 .00238 .00015 -.00005 .00052
	Fe2 .01538 .17316 .30648 .12 .00623 .00119 .00238 .00015 -.00005 .00052
	Ti2 .01538 .17316 .30648 .01 .00623 .00119 .00238 .00015 -.00005 .00052
	Mg3 .49525 .89343 .07466 .66 .00600 .00241 .00243 .00081 -.00091 -.00026
	Fe3 .49525 .89343 .07466 .13 .00600 .00241 .00243 .00081 -.00091 -.00026
	Ti3 .49525 .89343 .07466 .21 .00600 .00241 .00243 .00081 -.00091 -.00026
	Si .07499 .14380 .70431 .00351 .00109 .00179 -.00014 -.00016 .00033
	O1 .77728 .00071 .29554 .00493 .00103 .00247 -.00031 .00037 .00047
	O2 .72461 .24271 .12284 .00567 .00125 .00244 .00010 .00008 -.00013
	O3 .22378 .16998 .53152 .00504 .00158 .00200 .00023 .00059 .00076
	O4 .26619 .85625 .29560 .00339 .00156 .00256 -.00015 .00006 .00074
	OH .25658 .05534 .09607 .00991 .00210 .00316 .00000 .00158 .00009
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	Hydroxylclinohumite
	Fujino K, Takeuchi Y
	American Mineralogist 63 (1978) 535-543
	Crystal chemistry of titanian chondrodite and titanian clinohumite of
	high-pressure origin
	_database_code_amcsd 0000668
	4.745 10.283 13.699 101.00 90 90 P2_1/b
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Mg1c .5 0 .5 .88 .00428 .00144 .00064 -.00011 -.00008 .00024
	Fe1c .5 0 .5 .10 .00428 .00144 .00064 -.00011 -.00008 .00024
	Ti1c .5 0 .5 .02 .00428 .00144 .00064 -.00011 -.00008 .00024
	Mg1n .49665 .94603 .27464 .87 .00500 .00140 .00061 .00013 .00029 .00000
	Fe1n .49665 .94603 .27464 .11 .00500 .00140 .00061 .00013 .00029 .00000
	Ti1n .49665 .94603 .27464 .02 .00500 .00140 .00061 .00013 .00029 .00000
	Mg25 .01510 .13976 .16975 .87 .00621 .00119 .00070 -.00006 -.00003 .00019
	Fe25 .01510 .13976 .16975 .13 .00621 .00119 .00070 -.00006 -.00003 .00019
	Mg26 .51051 .25040 .38777 .87 .00618 .00098 .00067 -.00013 -.00018 .00009
	Fe26 .51051 .25040 .38777 .13 .00618 .00098 .00067 -.00013 -.00018 .00009
	Mg3 .49488 .88433 .04094 .67 .00631 .00249 .00077 .00109 -.00041 -.00023
	Fe3 .49488 .88433 .04094 .15 .00631 .00249 .00077 .00109 -.00041 -.00023
	Ti3 .49488 .88433 .04094 .18 .00631 .00249 .00077 .00109 -.00041 -.00023
	Si1 .07266 .06676 .38979 .00316 .00106 .00064 -.00011 -.00005 .00015
	Si2 .07556 .17647 .83515 .00390 .00107 .00055 .00009 .00003 .00014
	O1 .73273 .06454 .38817 .00421 .00148 .00069 .00013 .00024 .00016
	O2 .28065 .42061 .38784 .00570 .00112 .00068 .00009 .00016 .00022
	O3 .22140 .11282 .29420 .00524 .00130 .00079 -.00007 -.00010 .00032
	O4 .22022 .15850 .48640 .00482 .00145 .00066 .00015 -.00001 -.00011
	O5 .23521 .32327 .16313 .00489 .00137 .00064 .00008 .00002 .00022
	O6 .77724 .96806 .16339 .00537 .00098 .00073 .00039 .00016 .00013
	O7 .72257 .27891 .26139 .00599 .00149 .00069 .00004 -.00039 .00036
	O8 .72554 .22876 .06896 .00720 .00138 .00070 -.00021 .00051 -.00002
	O9 .25717 .04469 .05356 .01123 .00222 .00087 .00014 .00116 .00001
	H .06 .022 .027 .57
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	Wairakite
	Takeuchi Y, Mazzi F, Haga N, Galli E
	American Mineralogist 64 (1979) 993-1001
	The crystal structure of wairakite
	_database_code_amcsd 0000740
	13.692 13.643 13.560 90 90.5 90 I2/a
	atom x y z occ Biso
	Na11 .1318 .9997 .2561 .042 3.70
	Na12a .25 .1203 0 .034 2.20
	Na12b .75 .3763 0 .041 3.90
	Ca2 .0115 .2474 .1160 .899 1.79
	Na2 .0115 .2474 .1160 .059 1.79
	Si11a .1122 .1580 .4175 .93 0.48
	Al11a .1122 .1580 .4175 .07 0.48
	Si11b .8714 .3381 .4056 .95 0.54
	Al11b .8714 .3381 .4056 .05 0.54
	Si12a .4221 .1310 .1599 .95 0.52
	Al12a .4221 .1310 .1599 .05 0.52
	Si12b .5971 .3728 .1682 .95 0.61
	Al12b .5971 .3728 .1682 .05 0.61
	Si2a .1753 .4112 .1370 .16 0.54
	Al2a .1753 .4112 .1370 .84 0.54
	Si2b .8474 .0856 .1176 .16 0.53
	Al2b .8474 .0856 .1176 .84 0.53
	O11a .1099 .3484 .2274 1.25
	O11b .9095 .1464 .2139 1.20
	O12a .3834 .1376 .4660 1.16
	O12b .5983 .3501 .4791 1.02
	O21a .2029 .1165 .3575 1.54
	O21b .7763 .3999 .3796 1.45
	O22a .1282 .4626 .3863 1.41
	O22b .8355 .0357 .3548 1.34
	O31a .3976 .2243 .0891 1.53
	O31b .6444 .2780 .1144 1.55
	O32a .4868 .3896 .1280 1.65
	O32b .5405 .1218 .1639 1.46
	Wat1 .1344 .1264 .1348 5.04
	Watb .8858 .3703 .1169 4.12
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	Penninite
	Joswig W, Fuess H, Rothbauer R, Takeuchi Y, Mason S A
	American Mineralogist 65 (1980) 349-352
	A neutron diffraction study of a one-layer triclinic chlorite (penninite)
	_database_code_amcsd 0000779
	5.3266 9.232 14.399 90. 97.16 90. 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)
	Mgt1 0 0 0 .800 0.0038 0.0051 0.0094 0.0015 0.0008 0.0006
	Fet1 0 0 0 .100 0.0038 0.0051 0.0094 0.0015 0.0008 0.0006
	Alt1 0 0 0 .100 0.0038 0.0051 0.0094 0.0015 0.0008 0.0006
	Mgt2 .0007 .3336 -.00004 .800 0.0061 0.0052 0.0069 -.0002 0.0002 -.0003
	Fet2 .0007 .3336 -.00004 .100 0.0061 0.0052 0.0069 -.0002 0.0002 -.0003
	Alt2 .0007 .3336 -.00004 .100 0.0061 0.0052 0.0069 -.0002 0.0002 -.0003
	Mgb1 .0004 .1667 .5 .875 0.0051 0.0041 0.0122 0.0001 0.0016 0.0009
	Alb1 .0004 .1667 .5 .125 0.0051 0.0041 0.0122 0.0001 0.0016 0.0009
	Mgb2 0 .5 .5 .750 0.0049 0.0051 0.0104 -.0001 0.0011 -.0004
	Alb2 0 .5 .5 .25 0.0049 0.0051 0.0104 -.0001 0.0011 -.0004
	Si1 .2310 .1672 .19170 .790 0.0042 0.0026 0.0073 0.0005 0.0020 0.0011
	Al1 .2310 .1672 .19170 .210 0.0042 0.0026 0.0073 0.0005 0.0020 0.0011
	Si2 .7314 .0007 .19170 .790 0.0044 0.0019 0.0072 -.0004 0.0012 -.0011
	Al2 .7314 .0007 .19170 .210 0.0044 0.0019 0.0072 -.0004 0.0012 -.0011
	O1 .1932 .1671 .07697 0.0053 0.0058 0.0064 -.0008 0.0006 -.0003
	O2 .6922 .0002 .07689 0.0059 0.0061 0.0066 0.0001 0.0015 0.0003
	O3 .2120 .3341 .23254 0.0209 0.0091 0.0119 0.0010 0.0040 -.0001
	O4 .5114 .1003 .23259 0.0143 0.0169 0.0110 0.0038 0.0008 -.0014
	O5 .0112 .0676 .23249 0.0135 0.0185 0.0107 -.0029 0.0013 0.0010
	O6 .6914 .3334 .07300 .990 0.0073 0.0061 0.0064 0.0015 0.0011 0.0004
	O7 .1465 -.0002 .43010 0.0164 0.0133 0.0075 0.0002 0.0009 0.0006
	O8 .1417 .33460 .43010 0.0170 0.0142 0.0074 0.0000 0.0018 -.0006
	O9 .6413 .16490 .43030 0.0104 0.0147 0.0090 0.0007 0.0001 -.0005
	H1 .7139 .3339 .1399 .930 0.0360 0.0364 0.0046 0.0017 -.0002 -.0005
	H2 .1193 .0054 .3632 0.0381 0.0384 0.0100 -.0014 0.0034 0.0002
	H3 .1303 .3353 .3629 0.0430 0.0380 0.0115 0.0000 0.0010 -.0001
	H4 .6143 .1594 .3635 0.0381 0.0383 0.0175 0.0041 0.0012 -.0011
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	Biotite
	Ohta T, Takeda H, Takeuchi Y
	American Mineralogist 67 (1982) 298-310
	Mica polytypism: Similarities in the crystal structures of coexisting 1M and
	2M(1) oxybiotite
	_database_code_amcsd 0000861
	5.3204 9.210 10.104 90 100.102 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)
	Mg1 0 0 .5 .624 .0040 .0012 .0033 0 .0012 0
	Fe1 0 0 .5 .190 .0040 .0012 .0033 0 .0012 0
	Al1 0 0 .5 .186 .0040 .0012 .0033 0 .0012 0
	Mg2 0 .34538 .5 .507 .0033 .00286 .00308 0 .00073 0
	Fe2 0 .34538 .5 .289 .0033 .00286 .00308 0 .00073 0
	Ti2 0 .34538 .5 .168 .0033 .00286 .00308 0 .00073 0
	Al2 0 .34538 .5 .036 .0033 .00286 .00308 0 .00073 0
	Si .0730 .16733 .22283 .71 .0045 .00158 .00313 .00004 .00087 .00001
	Al .0730 .16733 .22283 .266 .0045 .00158 .00313 .00004 .00087 .00001
	Fe .0730 .16733 .22283 .024 .0045 .00158 .00313 .00004 .00087 .00001
	K 0 .5 0 .0167 .0053 .0075 0 .0023 0
	O1 .0177 0 .1666 .0146 .0026 .0041 0 .0006 0
	O2 .3217 .2315 .1645 .0098 .0044 .0040 -.0019 .0017 -.0005
	O3 .1298 .1697 .3905 .0049 .0015 .0031 .0001 .0011 -.0001
	O4 .1335 .5 .4006 .0057 .0022 .0030 0 .0010 0
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	Biotite
	Ohta T, Takeda H, Takeuchi Y
	American Mineralogist 67 (1982) 298-310
	Mica polytypism: Similarities in the crystal structures of coexisting 1M and
	2M(1) oxybiotite
	Sample: in the 2M1 setting
	_database_code_amcsd 0000862
	5.3175 9.212 19.976 90 95.09 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)
	Mg1 .75 .25 0 .612 .0051 .0015 .00071 0 .00014 0
	Fe1 .75 .25 0 .200 .0051 .0015 .00071 0 .00014 0
	Al1 .75 .25 0 .188 .0051 .0015 .00071 0 .00014 0
	Mg2 .2321 .07750 -.00001 .513 .0077 .00186 .00068 .0016 0 .00009
	Fe2 .2321 .07750 -.00001 .296 .0077 .00186 .00068 .0016 0 .00009
	Ti2 .2321 .07750 -.00001 .168 .0077 .00186 .00068 .0016 0 .00009
	Al2 .2321 .07750 -.00001 .023 .0077 .00186 .00068 .0016 0 .00009
	Si1 .4624 .24902 .13850 .712 .0046 .0015 .00065 .0003 .00007 0
	Al1 .4624 .24902 .13850 .280 .0046 .0015 .00065 .0003 .00007 0
	Fe1 .4624 .24902 .13850 .008 .0046 .0015 .00065 .0003 .00007 0
	Si2 .9645 .4163 .13857 .708 .0049 .0017 .00063 .0003 .00003 .00004
	Al2 .9645 .4163 .13857 .264 .0049 .0017 .00063 .0003 .00003 .00004
	Fe2 .9645 .4163 .13857 .028 .0049 .0017 .00063 .0003 .00003 .00004
	K 0 .0832 .25 .0164 .0056 .00178 0 .00043 0
	O11 .7421 .3139 .1664 .0102 .0047 .00089 -.0016 .0001 .00015
	O21 .2416 .3512 .1677 .0103 .0045 .00088 .0024 -.0001 -.00032
	O22 .4352 .0822 .1675 .0163 .0028 .00085 -.0001 .0008 0
	O31 .4309 .2477 .05473 .0054 .0017 .00064 .0011 .0001 -.0001
	O32 .9392 .4172 .05466 .0053 .0018 .00060 .0014 0 -.0001
	O4 .9333 .0827 .04994 .0071 .0023 .00066 .0020 0 -.0003
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	Biotite
	Ohta T, Takeda H, Takeuchi Y
	American Mineralogist 67 (1982) 298-310
	Mica polytypism: Similarities in the crystal structures of coexisting 1M and
	2M(1) oxybiotite
	Sample: in the 2M1 setting
	_database_code_amcsd 0000863
	5.3183 9.211 10.105 90 100.09 90 C2/m
	atom x y z occ
	Mg1 -.00005 -.00005 .5000 .612
	Fe1 -.00005 -.00005 .5000 .200
	Al1 -.00005 -.00005 .5000 .188
	Mg2 .0001 .34513 .5000 .513
	Fe2 .0001 .34513 .5000 .296
	Ti2 .0001 .34513 .5000 .168
	Al2 .0001 .34513 .5000 .023
	Si1 .0732 .16733 .22299 .356
	Al1 .0732 .16733 .22299 .140
	Fe1 .0732 .16733 .22299 .004
	Si2 .0731 .16734 .22286 .354
	Al2 .0731 .16734 .22286 .132
	Fe2 .0731 .16734 .22286 .014
	K 0 .5 0
	O11 .0167 .0003 .1671
	O21 .3223 .2315 .1647
	O22 .3221 .2309 .1651
	O31 .1287 .1698 .3905
	O32 .1288 .1691 .3907
	O4 .1324 .4998 .4001
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	MgGeO3
	Yamanaka T, Hirano M, Takeuchi Y
	American Mineralogist 70 (1985) 365-374
	A high temperature transition in MgGeO3 from clinopyroxene (C2/c) type to
	orthopyroxene (Pbca) type
	_database_code_amcsd 0000976
	19.011 9.084 5.415 90 90 90 Pbca
	atom x y z Biso
	Mg1 .1237 .3647 .3565 2.66
	Mg2 .3776 .4874 .3532 2.97
	Ge1 .271 .345 .0422 1.56
	Ge2 .4729 .3387 .8035 1.74
	O1 .1771 .3347 .025 2.04
	O2 .3093 .515 .0437 3.04
	O3 .3069 .2141 .8324 3.32
	O4 .5667 .3415 .809 3.07
	O5 .4289 .4852 .6791 2.32
	O6 .4481 .1745 .629 1.08
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	MgGeO3
	Yamanaka T, Hirano M, Takeuchi Y
	American Mineralogist 70 (1985) 365-374
	A high temperature transition in MgGeO3 from clinopyroxene (C2/c) type to
	orthopyroxene (Pbca) type
	_database_code_amcsd 0000977
	18.829 8.952 5.347 90 90 90 Pbca
	atom x y z Biso
	Mg1 .1232 .344 .3503 .55
	Mg2 .3774 .489 .3443 .51
	Ge1 .2709 .3454 .0408 .35
	Ge2 .4722 .3393 .8055 .37
	O1 .1787 .3409 .0188 .37
	O2 .3119 .5132 .0382 .63
	O3 .3071 .2104 .8337 .8
	O4 .5636 .3362 .8147 .56
	O5 .4299 .4863 .6689 .6
	O6 .4455 .1794 .6259 .34
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	MgGeO3
	Yamanaka T, Hirano M, Takeuchi Y
	American Mineralogist 70 (1985) 365-374
	A high temperature transition in MgGeO3 from clinopyroxene (C2/c) type to
	orthopyroxene (Pbca) type
	T = 1023 K
	_database_code_amcsd 0000978
	9.706 9.040 5.202 90 101.6 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)
	Mg1 0 .9047 .25 .0057 .0057 .0155 0 .0003 0
	Mg2 0 .27 .25 .0068 .0058 .0128 0 .0001 0
	Ge .2993 .0944 .2127 .0035 .0046 .0129 -.0001 .0015 .0001
	O1 .1157 .0923 .1332 .0041 .0062 .0165 -.0012 .0011 -.0026
	O2 .3813 .2418 .3839 .0065 .0042 .0151 -.0013 .0004 -.0001
	O3 .3673 .068 .9091 .0060 .0075 .0181 -.0011 .0036 -.0030
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	MgGeO3
	Yamanaka T, Hirano M, Takeuchi Y
	American Mineralogist 70 (1985) 365-374
	A high temperature transition in MgGeO3 from clinopyroxene (C2/c) type to
	orthopyroxene (Pbca) type
	T = 893 K
	_database_code_amcsd 0000979
	9.686 9.024 5.192 90 101.4 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)
	Mg1 0 .9062 .25 .0052 .0045 .0156 0 -.0004 0
	Mg2 0 .2709 .25 .0061 .0049 .0167 0 -.0011 0
	Ge .2994 .0944 .2127 .0035 .0041 .0151 -.0001 -.0003 -.0001
	O1 .1166 .0906 .1319 .0038 .006 .0220 .0001 -.0009 -.0002
	O2 .3833 .2418 .3814 .0053 .0047 .0185 -.0014 -.0017 -.0017
	O3 .3588 .0677 .9088 .0047 .0046 .0201 -.0016 .0010 -.0021
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	MgGeO3
	Yamanaka T, Hirano M, Takeuchi Y
	American Mineralogist 70 (1985) 365-374
	A high temperature transition in MgGeO3 from clinopyroxene (C2/c) type to
	orthopyroxene (Pbca) type
	T = 693 K
	_database_code_amcsd 0000980
	9.659 8.992 5.180 90 101.2 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)
	Mg1 0 .9062 .25 .0039 .0028 .0106 0 -.0002 0
	Mg2 0 .2705 .25 .0044 .0034 .0108 0 .0002 0
	Ge .2997 .0944 .2121 .0027 .0027 .0094 -.0001 .0001 -.0001
	O1 .1164 .0911 .1337 .0030 .0034 .0146 -.0003 -.0006 -.0002
	O2 .3831 .2421 .3817 .0043 .0036 .0098 -.0012 -.0021 -.0013
	O3 .3599 .0686 .905 .0029 .0033 .0144 -.0008 .0014 -.0017
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	MgGeO3
	Yamanaka T, Hirano M, Takeuchi Y
	American Mineralogist 70 (1985) 365-374
	A high temperature transition in MgGeO3 from clinopyroxene (C2/c) type to
	orthopyroxene (Pbca) type
	T = 483 K
	_database_code_amcsd 0000981
	9.640 8.978 5.173 90 101.1 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)
	Mg1 0 .9068 .25 .0030 .0028 .0102 0 -.0003 0
	Mg2 0 .2704 .25 .0035 .0031 .0110 0 -.0004 0
	Ge .2999 .0944 .2117 .0021 .0025 .0104 -.0001 -.0002 .0000
	O1 .1166 .0906 .1324 .0024 .0038 .0100 -.0001 -.0010 .0000
	O2 .3828 .2427 .3806 .0036 .0029 .0115 -.0011 -.0026 -.0012
	O3 .3601 .0682 .9057 .0025 .0027 .0145 -.0008 .0007 -.0017
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	MgGeO3
	Yamanaka T, Hirano M, Takeuchi Y
	American Mineralogist 70 (1985) 365-374
	A high temperature transition in MgGeO3 from clinopyroxene (C2/c) type to
	orthopyroxene (Pbca) type
	T = 293 K
	_database_code_amcsd 0000982
	9.605 8.940 5.160 90 100.9 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)
	Mg1 0 .9071 .25 .0012 .0012 .0050 0 -.0002 0
	Mg2 0 .27 .25 .0014 .0014 .0044 0 -.0005 0
	Ge .3002 .0945 .2108 .0009 .0010 .0039 -.0001 -.0007 .0000
	O1 .116 .0909 .1325 .0033 .0013 .0065 -.0001 -.0006 .0005
	O2 .3826 .2435 .3814 .0012 .0013 .0049 -.0005 -.0006 -.0001
	O3 .3601 .0688 .9034 .0016 .0014 .0040 -.0006 .0001 -.0008
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	Clintonite-1M
	Joswig W, Amthauer G, Takeuchi Y
	American Mineralogist 71 (1986) 1194-1197
	Neutron-diffraction and Mossbauer spectroscopic study of clintonite
	(xanthophyllite)
	_database_code_amcsd 0001045
	5.2037 9.0126 9.8145 90 100.26 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)
	Ca .5 .5 0 .0100 .0077 .0070 0 .0023 0
	Mg1 0 .5 .5 .73 .0034 .0037 .0072 0 .0012 0
	Al1 0 .5 .5 .22 .0034 .0037 .0072 0 .0012 0
	Fe1 0 .5 .5 .05 .0034 .0037 .0072 0 .0012 0
	Mg2 .5 .32982 .5 .77 .0048 .0047 .0073 0 .0014 0
	Al2 .5 .32982 .5 .23 .0048 .0047 .0073 0 .0014 0
	Ti2 .5 .32982 .5 .003 .0048 .0047 .0073 0 .0014 0
	Si3 .57049 .16705 .20976 .300 .0061 .0047 .0061 -.0004 .0012 .0001
	Al3 .57049 .16705 .20976 .673 .0061 .0047 .0061 -.0004 .0012 .0001
	Fe3 .57049 .16705 .20976 .027 .0061 .0047 .0061 -.0004 .0012 .0001
	O1 .42771 0 .15161 .0122 .0107 .0105 0 .0005 0
	O2 .86158 .18853 .15029 .0113 .0117 .0109 -.0012 .0031 -.0010
	O3 .63088 .16856 .38782 .0108 .0093 .0085 -.0001 .0016 .0005
	O4 .62827 .5 .39774 .0104 .0135 .0068 0 .0013 0
	H .5966 .5 .3001 .0516 .0607 .0099 0 .0025 0
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	Orthopinakiolite
	Takeuchi Y, Haga N, Kato T, Miura Y
	The Canadian Mineralogist 16 (1978) 475-485
	Orthopinakiolite, Me2.95O2[BO3]: its crystal structure
	and relationship to pinakiolite, Me2.90O2[BO3]
	Note: z-coordinate of O9 changed. y-coordinate of M7* changed.
	_database_code_amcsd 0005157
	18.357 12.591 6.068 90 90 90 Pnnm
	atom x y z occ Biso
	MnM1 0 0 0 .42
	MnM2 0 0 .5 .43
	MnM3 0 .5 0 .48
	MgM4 0 .5 .5 .54 2.4
	MnM4 0 .5 .5 .05 2.4
	MgM5 .11890 .1703 .2480 .918 .51
	MnM5 .11890 .1703 .2480 .082 .51
	MnM6 .12887 .3935 0 .49
	MnM7 .1064 .3973 .5 .448 .98
	MnM7* .144 .3861 .5 .26 4.8
	FeM7' .0646 .4043 .5 .292 3.3
	MnM8 .25289 .27535 0 .51
	MgM9 .2509 .2820 .5 .57 .79
	MnM9 .2509 .2820 .5 .43 .79
	MgM10 .37222 .1160 .2476 .733 .55
	MnM10 .37222 .1160 .2476 .12 .55
	FeM10 .37222 .1160 .2476 .147 .55
	MgM11 .37260 .3948 .2488 .775 .49
	MnM11 .37260 .3948 .2488 .078 .49
	FeM11 .37260 .3948 .2488 .147 .49
	B1 .9821 .2446 0 .40
	B2 .9816 .2471 .5 .84
	B3 .2367 .0318 0 .64
	B4 .2318 .0443 .5 .59
	O1 .0662 .0306 .2504 .71
	O2 .0564 .2416 0 .78
	O3 .0577 .2442 .5 .75
	O4 .0731 .4685 .2148 .81
	O5 .1947 .1234 0 .86
	O6 .1926 .1369 .5 .73
	O7 .1802 .3152 .2221 .87
	O8 .3125 .0407 0 .92
	O9 .3070 .0468 .5 .77
	O10 .3189 .2530 .2379 .84
	O11 .3038 .4466 0 .79
	O12 .2977 .4352 .5 .72
	O13 .4463 .1566 0 .85
	O14 .4445 .1595 .5 .67
	O15 .4443 .3471 0 .74
	O16 .4423 .3489 .5 .64
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	Manganpyrosmalite
	Kato T, Takeuchi Y
	The Canadian Mineralogist 21 (1983) 1-6
	The pyrosmalite group of minerals I. Structure refinement of
	Manganpyrosmalite
	Sample 1: Iron-rich manganpyrosmalite, Kyurazawa mine, Japan
	_database_code_amcsd 0005189
	13.391 13.391 7.139 90 90 120 P-3m1
	atom x y z occ Biso
	MnM1 0 0 0 .56 1.17
	FeM1 0 0 0 .44 1.17
	MnM2 .2549 0 0 .56 .84
	FeM2 .2549 0 0 .44 .84
	MnM3 .5 0 0 .56 .73
	FeM3 .5 0 0 .44 .73
	MnM4 .5026 .2513 .0222 .56 .64
	FeM4 .5026 .2513 .0222 .44 .64
	Si .4375 .1046 .6245 .97 .54
	Fe .4375 .1046 .6245 .03 .54
	O1 .3413 0 .5 1.11
	O2 .5640 .1280 .5582 .98
	O3 .4316 .2158 .5551 .87
	O4 .4199 .0841 .8491 .68
	Cl1 .1680 .0840 .7756 .55 2.09
	OH1 .1680 .0840 .7756 .45 2.09
	OH2 .3366 .1683 .1330 .91
	OH3 .5809 .1618 .1450 .89
	OH4 1/3 2/3 .1218 .40
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	Manganpyrosmalite
	Kato T, Takeuchi Y
	The Canadian Mineralogist 21 (1983) 1-6
	The pyrosmalite group of minerals I. Structure refinement of
	Manganpyrosmalite
	Note: sample 2
	Note: z-coordinate for AlM4 changed
	Locality: Kyurazawa mine, Japan
	_database_code_amcsd 0005190
	13.422 13.422 7.165 90 90 120 P-3m1
	atom x y z occ Biso
	MnM1 0 0 0 .75 1.29
	FeM1 0 0 0 .20 1.29
	MnM2 .2542 0 0 .75 .76
	FeM2 .2542 0 0 .20 .76
	MnM3 .5 0 0 .75 .51
	FeM3 .5 0 0 .20 .51
	MnM4 .5024 .2512 .0228 .75 .52
	FeM4 .5024 .2512 .0228 .20 .52
	Si .4369 .1036 .6241 .52
	O1 .3405 0 .5 1.41
	O2 .5644 .1288 .5574 1.20
	O3 .4302 .2151 .5553 1.05
	O4 .4200 .0839 .8486 .48
	Cl1 .1684 .0842 .7733 .49 2.21
	OH1 .1684 .0842 .7733 .51 2.21
	OH2 .3350 .1675 .1407 .46
	OH3 .5815 .1630 .1495 .40
	OH4 1/3 2/3 .1233 .52
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	Pyrosmalite-(Mn)
	Kato T, Takeuchi Y
	The Canadian Mineralogist 21 (1983) 1-6
	The pyrosmalite group of minerals I. Structure refinement of
	Manganpyrosmalite
	Sample 1: Iron-rich manganpyrosmalite, Kyurazawa mine, Japan
	_database_code_amcsd 0005191
	13.391 13.391 7.139 90 90 120 P-3m1
	atom x y z occ Biso
	MnM1 0 0 0 .56 1.17
	FeM1 0 0 0 .44 1.17
	MnM2 .2549 0 0 .56 .84
	FeM2 .2549 0 0 .44 .84
	MnM3 .5 0 0 .56 .73
	FeM3 .5 0 0 .44 .73
	MnM4 .5026 .2513 .0222 .56 .64
	FeM4 .5026 .2513 .0222 .44 .64
	Si .4375 .1046 .6245 .97 .54
	Fe .4375 .1046 .6245 .03 .54
	O1 .3413 0 .5 1.11
	O2 .5640 .1280 .5582 .98
	O3 .4316 .2158 .5551 .87
	O4 .4199 .0841 .8491 .68
	Cl1 .1680 .0840 .7756 .55 2.09
	OH1 .1680 .0840 .7756 .45 2.09
	OH2 .3366 .1683 .1330 .91
	OH3 .5809 .1618 .1450 .89
	OH4 1/3 2/3 .1218 .40
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	Pyrosmalite-(Mn)
	Kato T, Takeuchi Y
	The Canadian Mineralogist 21 (1983) 1-6
	The pyrosmalite group of minerals I. Structure refinement of
	Manganpyrosmalite
	Note: sample 2
	Note: z-coordinate for AlM4 changed
	Locality: Kyurazawa mine, Japan
	_database_code_amcsd 0005192
	13.422 13.422 7.165 90 90 120 P-3m1
	atom x y z occ Biso
	MnM1 0 0 0 .75 1.29
	FeM1 0 0 0 .20 1.29
	MnM2 .2542 0 0 .75 .76
	FeM2 .2542 0 0 .20 .76
	MnM3 .5 0 0 .75 .51
	FeM3 .5 0 0 .20 .51
	MnM4 .5024 .2512 .0228 .75 .52
	FeM4 .5024 .2512 .0228 .20 .52
	Si .4369 .1036 .6241 .52
	O1 .3405 0 .5 1.41
	O2 .5644 .1288 .5574 1.20
	O3 .4302 .2151 .5553 1.05
	O4 .4200 .0839 .8486 .48
	Cl1 .1684 .0842 .7733 .49 2.21
	OH1 .1684 .0842 .7733 .51 2.21
	OH2 .3350 .1675 .1407 .46
	OH3 .5815 .1630 .1495 .40
	OH4 1/3 2/3 .1233 .52
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	Hydroxylborite
	Takeuchi Y
	Acta Crystallographica 3 (1950) 208-210
	The structure of fluoborite
	Locality: Tallgruvan, Sweden
	_database_code_amcsd 0009139
	9.06 9.06 3.06 90 90 120 P6_3/m
	atom x y z occ
	Mg .381 .038 .25
	B 2/3 1/3 .75
	O .537 .156 .75
	OH .310 .218 .25 .71
	F .310 .218 .25 .29
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	Dmisteinbergite
	Takeuchi Y, Donnay G
	Acta Crystallographica 12 (1959) 465-470
	The crystal structure of hexagonal CaAl2Si2O8
	_database_code_amcsd 0009229
	5.10 5.10 14.72 90 90 120 P6_3/mcm
	atom x y z occ
	Ca 0 0 0
	Al 1/3 2/3 .1375 .5
	Si 1/3 2/3 .1375 .5
	O1 1/3 2/3 .25
	O2 .37 0 .1
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	Clintonite
	Takeuchi Y, Sadanaga R
	Acta Crystallographica 12 (1959) 945-946
	The crystal structure of xanthophyllite
	Locality: Chichibu mine, Japan
	_database_code_amcsd 0009236
	5.19 9.00 9.74 90 100.1 90 C2/m
	atom x y z occ
	Ca .5 .5 0
	Mg .5 .328 .5
	Al1 0 .5 .5
	Al2 .556 .172 .205 .75
	Si2 .556 .172 .205 .25
	O1 .419 0 .14
	O2 .841 .185 .14
	O3 .602 .161 .383
	OH .632 .5 .398
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	Lillianite
	Takagi J, Takeuchi Y
	Acta Crystallographica B28 (1972) 649-651
	The crystal structure of lillianite
	Locality: Tsubakihara mine, Gifu Prefecture, Japan
	_database_code_amcsd 0018399
	13.5350 20.451 4.104 90 90 90 Bbmm
	atom x y z occ Biso
	PbM1 .0896 .1338 .5 .5 1.58
	BiM1 .0896 .1338 .5 .5 1.58
	PbM2 .3635 .0495 .5 .5 1.19
	BiM2 .3635 .0495 .5 .5 1.19
	PbM3 .3239 .25 0 3.02
	S1 .2386 .0956 0 2.02
	S2 .0 0 .5 2.16
	S3 .1822 .25 .5 1.62
	S4 .4561 .1630 .5 1.42
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	Ca8.5NaAl6O18
	Nishi F, Takeuchi Y
	Acta Crystallographica B31 (1975) 1169-1173
	The Al6O18 rings of tetrahedra in the structure of Ca8.5NaAl6O18
	_database_code_amcsd 0017813
	10.875 10.859 15.105 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)
	Ca1 .00268 .00196 .51825 .5 .00129 .00103 .00222 .00020 .00007 .00000
	Ca2 -.00394 .01771 .23927 .00204 .00129 .00058 .00036 .00005 -.00002
	Ca3 .00928 .26744 .13313 .00163 .00179 .00054 .00020 -.00012 .00041
	Ca4 .25648 .27066 .25278 .00451 .00131 .00068 .00051 -.00087 .00012
	Ca5 .26267 .24622 .49832 .75 .00256 .00228 .00091 .00002 .00009 -.00006
	Na5 .26267 .24622 .49832 .25 .00256 .00228 .00091 .00002 .00009 -.00006
	Na 0 0 0 .5 .00359 .00928 .00290 -.00388 -.00170 .00456
	Al1 -.00482 -.21407 .11603 .00109 .00093 .00030 -.00021 -.00012 -.00004
	Al2 .23755 -.00327 .11292 .00103 .00142 .00080 -.00035 .00000 .00006
	Al3 .24208 .00543 -.10861 .00084 .00088 .00033 -.00016 -.00004 -.00036
	O1 -.14416 -.13388 .10911 .00265 .00295 .00246 .00138 -.00080 -.00032
	O2 .11066 -.10125 .12634 .00350 .00462 .00164 -.00256 .00079 -.00116
	O3 .28698 -.02208 .00229 .00214 .00274 .00057 -.00071 .00029 .00027
	O4 -.00730 -.28562 .21778 .00794 .00197 .00061 .00061 -.00002 -.00003
	O5 .01956 -.29335 .01724 .00525 .00204 .00060 -.00037 .00034 -.00019
	O6 .35529 -.07220 .17361 .00248 .00216 .00119 .00025 -.00113 -.00039
	O7 .18863 .14794 .13240 .00231 .00267 .00161 .00168 -.00091 -.00029
	O8 .16233 -.12774 -.14188 .00252 .00145 .00139 -.00042 -.00004 -.00069
	O9 .37170 .06610 -.15970 .00228 .00124 .00117 -.00088 .00012 .00030
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	Fayalite
	Fujino K, Sasaki S, Takeuchi Y, Sadanaga R
	Acta Crystallographica B37 (1981) 513-518
	X-ray determination of electron distributions in forsterite, fayalite
	and tephroite
	_cod_database_code 1000064
	_database_code_amcsd 0009731
	4.8195 10.4788 6.0873 90 90 90 Pbnm
	atom x y z
	Fe1 0 0 0
	Fe2 .98598 .28026 .25
	Si .43122 .09765 .25
	O1 .76814 .09217 .25
	O2 .20895 .45365 .25
	O3 .28897 .16563 .03643
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	Combeite
	Ohsato H, Maki I, Takeuchi Y
	Acta Crystallographica C41 (1985) 1575-1577
	Structure of Na2CaSi2O6
	Locality: synthetic high-temperature form
	_database_code_amcsd 0010016
	10.500 10.500 13.184 90 90 120 R-3m
	atom x y z occ Biso
	Na1 0 0 .2485 .705 1.04
	Ca1 0 0 .2485 .295 1.04
	Na2 .5 0 0 .972 2.69
	Na3 .5 0 .5 .501 1.34
	Ca3 .5 0 .5 .499 1.34
	Ca4 0 0 0 .81
	Si .1502 -.1502 .5636 .58
	O1 .2533 .0131 .5147 .5 2.81
	O2 .1161 -.1161 .6734 2.68
	O3 .2373 -.2373 .5510 2.62
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	Combeite
	Ohsato H, Takeuchi Y, Maki I
	Acta Crystallographica C42 (1986) 934-937
	Structure of Na4Ca4[Si6O18]
	Locality: synthetic low-temperature form
	_database_code_amcsd 0010031
	10.464 10.464 13.168 90 90 120 P3_121
	atom x y z occ Biso
	Na1 .3086 .9830 .5892 .42 .59
	Ca1 .3086 .9830 .5892 .29 .59
	Nal' .2821 .9704 .6151 .17 2.6
	Cal' .2821 .9704 .6151 .12 2.6
	Na2 .5041 .3380 .6642 1.69
	Ca31 .5262 .3704 .1558 .59 1.56
	Na31 .5262 .3704 .1558 .41 1.56
	Ca32 .8203 0 5/6 .76
	Ca4 .3039 0 1/3 .59
	Sil .1986 .1526 .7780 .46
	Si2 .4996 .3234 .8958 .54
	Si3 .6243 .1485 .7635 .50
	O11 .1671 0 5/6 1.4
	O12 .5555 0 5/6 1.6
	O13 .3442 .2842 .8382 .90
	O14 .5849 .2643 .8199 1.05
	O21 .2468 .1535 .6622 1.09
	O22 .4782 .2472 .0032 1.22
	O23 .5513 .1104 .6540 1.38
	O31 .0652 .1853 .7949 .79
	O32 .5965 .4991 .8880 1.38
	O33 .7990 .2184 .7763 1.07
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	Na2CaGe2O6
	Nishi F, Takeuchi Y
	Acta Crystallographica C46 (1990) 544-546
	Structure of sodium calcium germanate Na2CaGe2O6
	_database_code_amcsd 0010123
	10.788 10.788 13.460 90 90 120 R-3m
	atom x y z occ Biso
	Ge .15040 -.15040 .56698 1.22
	CaM1 0 0 .2473 .35 1.93
	NaM1 0 0 .2473 .65 1.93
	CaM2 .5 0 0 .1 4.03
	NaM2 .5 0 0 .9 4.03
	CaM3 .5 0 .5 .39 2.38
	NaM3 .5 0 .5 .61 2.38
	CaM4 0 0 0 .84 2.41
	NaM4 0 0 0 .16 2.41
	O1 .2783 .0235 .5267 .5 3.0
	O2 .0826 -.1451 .6799 .5 2.0
	O3 .2697 -.2129 .5525 .5 2.7
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	Hutchinsonite
	Takeuchi Y, Ghose S, Nowacki W
	Zeitschrift fur Kristallographie 121 (1965) 321-348
	The crystal structure of hutchinsonite, (Tl,Pb)2As5S9
	Locality: Lengenbach, Binnatal, Valais, Switzerland
	_database_code_amcsd 0010621
	10.81 35.36 8.16 90 90 90 Pbca
	atom x y z occ Biso
	Pb1 .3581 .2469 .1056 .5 1.92
	Tl1 .3581 .2469 .1056 .5 1.92
	Pb2 .3361 .1223 .6351 .5 2.85
	Tl2 .3361 .1223 .6351 .5 2.85
	As1 .1081 .1948 .7040 1.84
	As2 .0994 .1848 .1261 2.00
	As3 .4362 .1153 .1344 1.86
	As4 .1364 .0480 .2151 1.94
	As5 .3814 .0288 .9545 1.91
	S1 .3934 .1899 .3644 1.82
	S2 .4090 .1906 .8628 1.61
	S3 .1123 .2540 .3704 1.46
	S4 .1289 .1377 .3247 1.64
	S5 .1128 .1466 .8953 1.55
	S6 .3878 .0151 .6838 2.27
	S7 .1942 .0573 .9521 2.41
	S8 .4390 .0672 .3275 1.99
	S9 .0086 .0799 .5859 1.70
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	Wallisite
	Takeuchi Y, Ohmasa M
	Zeitschrift fur Kristallographie 127 (1968) 349-365
	The crystal structure of wallisite, PbTlCuAs2S5,
	the Cu analogue of hatchite PbTlAgAs2S5
	Locality: Lengenbach quarry, Binnatal, Switzerland
	_database_code_amcsd 0010669
	9.215 8.524 7.980 55.983 62.500 69.400 P-1
	atom x y z occ Biso
	Pb1 .4034 .7518 .3053 .5 2.61
	Tl1 .4034 .7518 .3053 .5 2.61
	Pb2 .1248 .3088 .4189 .5 4.15
	Tl2 .1248 .3088 .4189 .5 4.15
	Cu .0846 .1168 .0508 3.35
	As1 .1910 .5436 .8876 2.25
	As2 .3632 .9058 .7645 2.34
	S1 .4538 .6253 .7363 1.68
	S2 .2406 .3672 .7337 2.09
	S3 .4206 .1260 .1485 2.26
	S4 .0745 .8267 .6736 2.05
	S5 .1686 .8057 .0965 1.70
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	Seligmannite
	Takeuchi Y, Haga N
	Zeitschrift fur Kristallographie 130 (1969) 254-260
	On the crystal structures of seligmannite, PbCuAsS3, and related minerals
	_database_code_amcsd 0010700
	8.081 8.747 7.636 90 90 90 Pn2_1m
	atom x y z Biso
	Pb1 .0762 0 0 .97
	Pb2 .5558 .1923 .5 .78
	Cu .2786 .4287 .2419 .18
	As1 .0716 .0773 .5 .20
	As2 .5068 .1570 0 .20
	S1 .2555 .2761 0 .10
	S2 .2257 .2960 .5 .10
	S3 .1012 .6475 .2351 .10
	S4 .5601 .4970 .2631 .10
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	Bournonite
	Edenharter A, Nowacki W, Takeuchi Y
	Zeitschrift fur Kristallographie 131 (1970) 397-417
	Verfeinerung der kristallstruktur von bournonit [SbS3)2|Cu(IV)2PB(VII)Pb(VIII)]
	und von seligmannit [(AsS3)2)|Cu(IV)2Pb(VII)PB(VIII)]
	Locality: Kanton Graubunden
	_database_code_amcsd 0010713
	8.153 8.692 7.793 90 90 90 Pn2_1m
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Pbl .07380 .99050 0 .00621 .00552 .00595 .00010 0 0
	Pb2 .55709 .17696 .5 .00670 .00489 .00553 .00016 0 0
	Sbl .07050 .04091 .5 .00671 .00346 .00549 -.00043 0 0
	Sb2 .50655 .14958 0 .00732 .00611 .00621 .00007 0 0
	Cu .27597 .42275 .24384 .00816 .00680 .00623 .00018 -.00057 -.00105
	S1 .23995 .27917 0 .00768 .00369 .00568 .00082 0 0
	S2 .23187 .28860 .5 .00598 .00337 .00534 .00017 0 0
	S3 .10572 .63870 .23753 .00501 .00617 .00491 .00071 .00036 .00135
	S4 .56333 .48165 .26830 .00717 .00594 .00527 -.00035 .00010 .00025
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	Seligmannite
	Edenharter A, Nowacki W, Takeuchi Y
	Zeitschrift fur Kristallographie 131 (1970) 397-417
	Verfeinerung der kristallstruktur von bournonit [SbS3)2|Cu(IV)2PB(VII)Pb(VIII)]
	und von seligmannit [(AsS3)2)|Cu(IV)2Pb(VII)PB(VIII)]
	Locality: Lengenbach, Binnatal, Switzerland
	_database_code_amcsd 0010715
	8.076 8.737 7.634 90 90 90 Pn2_1m
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Pbl .07903 .00610 0 .00406 .00488 .00684 -.00019 0 0
	Pb2 .55368 .19272 .5 .00465 .00469 .00543 .00016 0 0
	Asl .06319 .07360 .5 .00353 .00347 .00508 -.00056 0 0
	As2 .49593 .15737 0 .00324 .00428 .00496 -.00030 0 0
	Cu .27430 .42756 .24108 .00711 .00612 .00746 .00035 -.00063 -.00098
	S1 .24854 .27905 0 .00492 .00451 .00546 -.00001 0 0
	S2 .22196 .29237 .5 .00362 .00374 .00559 -.00039 0 0
	S3 .10420 .64340 .22935 .00493 .00485 .00627 .00119 .00020 .00025
	S4 .55870 .49398 .27527 .00544 .00489 .00529 -.00029 -.00062 -.00009
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	Staurolite
	Takeuchi Y, Aikawa N, Yamamoto T
	Zeitschrift fur Kristallographie 136 (1972) 1-22
	The hydrogen locations and chemical composition of staurolite
	Note: this paper uses Smith's structure (Am Min 53 (1968) 1139-1155)
	and adds the hydrogen locations to it
	_database_code_amcsd 0010731
	7.879 16.635 5.664 90 90.0 90 C2/m
	atom x y z occ Biso
	Fe .39281 0 .24815 .586 1.01
	Al .39281 0 .24815 .293 1.01
	Ti .39281 0 .24815 .037 1.01
	Si .13414 .16612 .24902 .928 .25
	Al .13414 .16612 .24902 .063 .25
	Al1A .5 .17511 0 .926 .29
	Mg1A .5 .17511 0 .049 .29
	Al1B .5 .17477 .5 .929 .31
	Mg1B .5 .17477 .5 .049 .31
	Al2 .26356 .41042 .25122 .933 .36
	Mg2 .26356 .41042 .25122 .049 .36
	Al3A 0 0 0 .278 .43
	Fe3A 0 0 0 .137 .43
	Al3B 0 0 .5 .189 .41
	Fe3B 0 0 .5 .093 .41
	Fe1 .5 0 0 .054 .40
	Mn1 .5 0 0 .026 .40
	Fe2 .5 0 .5 .026 .40
	Mn2 .5 0 .5 .012 .40
	O1A .23274 0 .96313 .68
	O1B .23438 0 .53428 .69
	O2A .25569 .16153 .01527 .49
	O2B .25519 .16127 .48391 .49
	O3 .00143 .08917 .24702 .59
	O4 .02156 .24925 .24925 .45
	O5 .52741 .10004 .24944 .42
	H1 .1218 0 .072
	H2 .1218 0 .424
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	Serandite
	Takeuchi Y, Kudoh Y, Haga N
	Zeitschrift fur Kristallographie 138 (1973) 313-336
	The interpretation of partial Patterson functions and its application
	to structure analyses of serandite Mn2NaHSi3O9 and banalsite BaNa2Al4Si4O16
	Locality: Tanohata mine, Japan
	_database_code_amcsd 0010758
	7.683 6.889 6.747 90.53 94.12 102.75 P-1
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Mn1 .8527 .5943 .1363 .0028 .0030 .0026 .0006 .0005 .0003
	Mn2 .8496 .0840 .1332 .0022 .0029 .0021 .0009 .0003 -.0001
	Na1 .5573 .2547 .3518 .0038 .0086 .0063 .0010 .0010 -.0002
	Si1 .2166 .4025 .3414 .0019 .0015 .0019 .0006 -.0003 -.0002
	Si2 .2071 .9526 .3506 .0019 .0018 .0015 .0007 .0001 -.0002
	Si3 .4545 .7388 .1430 .0013 .0024 .0015 .0003 .0002 .0002
	O1 .6641 .7953 .1147 .0022 .0042 .0045 .0007 .0014 .0005
	O2 .3236 .7097 .9431 .0027 .0043 .0030 .0005 -.0002 -.0003
	OH3 .1809 .4954 .5533 .0057 .0037 .0034 .0029 .0009 -.0002
	O4 .1599 .8457 .5567 .0055 .0032 .0033 .0012 .0014 .0000
	O5 .0609 .3905 .1684 .0025 .0048 .0021 .0006 -.0002 .0003
	O6 .0530 .8932 .1727 .0027 .0046 .0029 .0013 -.0006 -.0007
	O7 .4077 .5332 .2738 .0027 .0038 .0037 .0008 .0000 .0018
	O8 .3973 .9052 .2879 .0024 .0035 .0048 .0013 -.0001 -.0018
	O9 .2613 .1900 .3928 .0038 .0026 .0041 .0008 .0001 .0002
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	Banalsite
	Takeuchi Y, Kudoh Y, Haga N
	Zeitschrift fur Kristallographie 138 (1973) 313-336
	The interpretation of partial Patterson functions and its application to
	structure analyses of serandite Mn2NaHSi3O9 and banalsite BaNa2Al4Si4O16
	_database_code_amcsd 0010759
	8.496 9.983 16.755 90 90 90 Ibam
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ba 0 0 .25 .00345 .00167 .00069 0 0 0
	Na .0422 .1745 .5 .00475 .00267 .00141 .00057 0 0
	Al1 .2283 .4429 .4067 .5 .00210 .00101 .00029 -.00038 .00007 -.00005
	Si1 .2283 .4429 .4067 .5 .00210 .00101 .00029 -.00038 .00007 -.00005
	Al2 .0754 .3095 .1586 .5 .00254 .00206 .00062 -.00021 .00013 -.00003
	Si2 .0754 .3095 .1586 .5 .00254 .00206 .00062 -.00021 .00013 -.00003
	O1 .2143 .0153 0 .00265 .00418 .00056 .00020 0 0
	O2 0 .2928 .25 .00542 .00262 .00089 0 -.00032 0
	O3 .1255 .1532 .1287 .00255 .00129 .00139 .00116 .00037 -.00006
	O4 .0618 .3534 .4082 .00546 .00163 .00081 -.00054 .00031 -.00032
	O5 .2238 .4213 .1535 .00214 .00293 .00107 -.00125 .00029 .00020
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	Cu4Bi4S9
	Takeuchi Y, Ozawa T
	Zeitschrift fur Kristallographie 141 (1975) 217-232
	The structure of Cu4Bi4S9 and its relation to the structures of covellite,
	CuS and bismuthinite, Bi2S3
	_database_code_amcsd 0010774
	11.589 32.05 3.951 90 90 90 Pbnm
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Cu1 .3832 .1359 .75 3.2 .00537 .00098 .05672 -.00022 0 0
	Cu2 .3363 .1911 .25 3.7 .00579 .00126 .06569 -.00062 0 0
	Cu3 .4247 .3042 .25 3.2 .00610 .00082 .05304 -.00007 0 0
	Cu4 .3936 .4827 .25 7.2 .02290 .00109 .12522 .00037 0 0
	Bi1 .36697 .02775 .75 2.2 .00418 .00060 .03737 .00007 0 0
	Bi2 .09953 .09028 .25 2.3 .00407 .00062 .03774 -.00005 0 0
	Bi3 .13895 .27871 .25 2.1 .00387 .00056 .03496 .00003 0 0
	Bi4 .23286 .39072 .75 2.1 .00404 .00055 .03538 .00010 0 0
	S1 .1327 .0205 .75 1.8 .00347 .00045 .03039 -.00018 0 0
	S2 .3254 .0987 .25 1.2 .00233 .00032 .02069 .00022 0 0
	S3 .0926 .1543 .75 1.7 .00310 .00046 .02669 .00004 0 0
	S4 .2424 .1909 .75 1.3 .00221 .00037 .02268 -.00018 0 0
	S5 .4851 .2351 .25 1.3 .00279 .00033 .02390 -.00021 0 0
	S6 .3158 .3143 .75 1.4 .00306 .00032 .02389 -.00003 0 0
	S7 .0747 .3564 .25 1.8 .00282 .00058 .03278 .00037 0 0
	S8 .3882 .4125 .25 1.3 .00162 .00055 .02477 .00023 0 0
	S9 .1195 .4708 .25 1.5 .00134 .00078 .02953 -.00021 0 0
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	Stannoidite
	Kudoh Y, Takeuchi Y
	Zeitschrift fur Kristallographie 144 (1976) 145-160
	The superstructure of stannoidite
	Locality: Konjo mine, Japan
	_database_code_amcsd 0010783
	10.767 5.411 16.118 90 90 90 I222
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Zn1 0 0 0 .85 .0030 .013 .0006 0 0 0
	Fe1 0 0 0 .15 .0030 .013 .0006 0 0 0
	Cu2 .5 0 0 .0047 .014 .0013 0 0 0
	Cu3 0 0 .5 .0034 .019 .0011 0 0 0
	Cu4 .2511 0 .5 .0031 .012 .0010 0 0 .0007
	Fe5 0 0 .3298 .0027 .008 .0006 -.0010 0 0
	Sn6 0 .5 .1693 .0014 .002 .0004 .0001 0 0
	Cu7 .2465 .0107 .1695 .0039 .012 .0015 -.0007 -.0002 .0008
	S1 .1308 .2443 .0826 .0028 .007 .0008 -.0021 .0002 -.0014
	S2 .3792 .7558 .0801 .0024 .009 .0007 .0027 .0001 -.0015
	S3 .1294 .7488 .2546 .0021 .006 .0008 -.0031 .0003 -.0002
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	Clinoptilolite-Ca
	Koyama K, Takeuchi Y
	Zeitschrift fur Kristallographie 145 (1977) 216-239
	Clinoptilolite: The distribution of potassium atoms
	and its role in thermal stability
	Locality: Kuruma Pass, Fukushima Prefecture, Japan
	Note: z(Wat7) corrected
	_database_code_amcsd 0010792
	17.6600 17.963 7.400 90 116.47 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Na1 .1427 0 .667 .36 .0042 .0012 .0259 0 .0033 0
	Ca1 .1427 0 .667 .24 .0042 .0012 .0259 0 .0033 0
	Na2 .0392 .5 .208 .20 .0012 .0022 .0322 0 .0011 0
	Ca2 .0392 .5 .208 .26 .0012 .0022 .0322 0 .0011 0
	K3 .2562 .5 .084 .37 .0038 .0005 .0257 0 .0051 0
	Mg4 0 0 .5 .04 18.6
	Si1 .1792 .1695 .0942 .80 .00042 .00121 .0120 -.00003 .0010 .0003
	Al1 .1792 .1695 .0942 .20 .00042 .00121 .0120 -.00003 .0010 .0003
	Si2 .2122 .4107 .5029 .58 .00083 .00089 .0126 .0 .0015 .0002
	Al2 .2122 .4107 .5029 .42 .00083 .00089 .0126 .0 .0015 .0002
	Si3 .2084 .1911 .7145 .91 .00063 .00100 .0113 .00004 .0013 .0
	Al3 .2084 .1911 .7145 .09 .00063 .00100 .0113 .00004 .0013 .0
	Si4 .0656 .2986 .4134 .94 .00050 .00109 .0102 -.00012 .0008 -.0001
	Al4 .0656 .2986 .4134 .06 .00050 .00109 .0102 -.00012 .0008 -.0001
	Si5 0 .2156 0 .86 .00060 .00111 .0114 0 .0012 0
	Al5 0 .2156 0 .14 .00060 .00111 .0114 0 .0012 0
	O1 .1975 .5 .4564 .0029 .0014 .0185 0 .0030 0
	O2 .2329 .1224 .6109 .0026 .0020 .0203 -.0001 .0047 -.0019
	O3 .1835 .1560 .8810 .0028 .0020 .0169 -.0003 .0040 .0001
	O4 .2357 .1056 .2489 .0022 .0021 .0148 .0011 .0021 .0022
	O5 0 .3214 .5 .0031 .0024 .0222 0 .0065 0
	O6 .0815 .1614 .0588 .0008 .0016 .0212 .0001 .0022 .0004
	O7 .1273 .2331 .5461 .0025 .0024 .0174 .0009 .0005 .0025
	O8 .0117 .2688 .1854 .0018 .0024 .0111 .0 -.0003 -.0026
	O9 .2126 .2525 .1837 .0014 .0019 .0200 -.0006 .0022 -.0017
	O10 .1160 .3720 .4108 .0015 .0018 .0233 -.0008 .0021 -.0003
	Wat1 .218 .5 -.005 .75 4.4
	Wat2 .087 0 .897 .45 8.8
	Wat3 .0787 .4198 .964 8.1
	Wat4 0 .5 .5 7.0
	Wat5 0 .088 .5 .74 16.4
	Wat6 .083 0 .267 .91 17.7
	Wat7 .094 0 .740 .34 17.5
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	Clinoptilolite-Ca
	Koyama K, Takeuchi Y
	Zeitschrift fur Kristallographie 145 (1977) 216-239
	Clinoptilolite: The distribution of potassium atoms
	and its role in thermal stability
	Locality: Agoura, California, USA
	Note: z(O3) corrected
	_database_code_amcsd 0010793
	17.6620 17.911 7.407 90 116.40 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Na1 .1428 0 .667 .36 .0083 .0015 .0358 0 .0079 0
	Ca1 .1428 0 .667 .06 .0083 .0015 .0358 0 .0079 0
	Na2 .0393 .5 .210 .10 .0020 .0019 .0235 0 .0015 0
	Ca2 .0393 .5 .210 .25 .0020 .0019 .0235 0 .0015 0
	K3 .2413 .5 .049 .44 .0085 .0019 .0395 0 .0138 0
	Mg4 0 0 .5 .10 1.1
	Si1 .17906 .16943 .0963 .83 .00106 .00103 .0060 .00001 .00160 .00032
	Al1 .17906 .16943 .0963 .17 .00106 .00103 .0060 .00001 .00160 .00032
	Si2 .21334 .41099 .5040 .69 .00126 .00073 .0070 .00003 .00162 .00008
	Al2 .21334 .41099 .5040 .31 .00126 .00073 .0070 .00003 .00162 .00008
	Si3 .20846 .19034 .7153 .87 .00122 .00087 .0055 .00007 .00176 .00005
	Al3 .20846 .19034 .7153 .13 .00122 .00087 .0055 .00007 .00176 .00005
	Si4 .06623 .29837 .4148 .89 .00108 .00100 .0061 -.00015 .00152 -.00002
	Al4 .06623 .29837 .4148 .11 .00108 .00100 .0061 -.00015 .00152 -.00002
	Si5 0 .21651 0 .90 .00113 .00101 .0058 0 .0014 0
	Al5 0 .21651 0 .10 .00113 .00101 .0058 0 .0014 0
	O1 .1959 .5 .4574 .0032 .0011 .0146 0 .0031 0
	O2 .2336 .1204 .6144 .0032 .0018 .0165 .0 .0054 -.0012
	O3 .1850 .1551 .8859 .0041 .0019 .0133 -.0002 .0055 .0002
	O4 .2333 .1041 .2509 .0027 .0020 .0092 .0008 .0018 .0005
	O5 0 .3232 .5 .0030 .0024 .0169 0 .0056 0
	O6 .0808 .1627 .0555 .0014 .0015 .0152 .0 .0024 .0001
	O7 .1268 .2317 .5492 .0030 .0021 .0159 .0010 .0017 .0024
	O8 .0122 .2702 .1856 .0022 .0023 .0103 .0001 .0011 -.0021
	O9 .2123 .2520 .1860 .0017 .0016 .0178 -.0006 .0025 -.0018
	O10 .1188 .3718 .4148 .0022 .0016 .0176 -.0006 .0030 -.0001
	Wat1 .211 .5 -.033 .38 6.2
	Wat2 .084 0 .888 .44 14.6
	Wat3 .0777 .4206 .964 9.5
	Wat4 0 .5 .5 7.4
	Wat5 0 .095 .5 .76 22.1
	Wat6 .073 0 .249 .83 19.1
	Wat7 .096 0 .756 .42 10.2
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	Hatrurite
	Nishi F, Takeuchi Y
	Zeitschrift fur Kristallographie 168 (1984) 197-212
	The rhombohedral structure of tricalcium silicate at 1200 C
	Locality: synthetic
	Sample: T = 1200 C
	Note: cannot reconcile reported structure with reported bond lengths
	_database_code_amcsd 0010872
	7.135 7.135 25.586 90 90 120 R3m
	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 .488 -.488 -.001 5.8 .0301 .0301 .0033 .0175 -.0010 .0010
	Ca2 .826 -.826 .111 7.3 .0244 .0244 .0050 .0062 .0014 -.0014
	Ca3 .509 -.509 .225 4.0 .0277 .0277 .0015 .0165 -.0005 .0005
	Si1 0 0 0 2.4 .0099 .0099 .0012 .0050 0 0
	Si2 0 0 .213 5.5 .0157 .0157 .0039 .0079 0 0
	Si3 0 0 .784 3.0 .0087 .0087 .0021 .0044 0 0
	O1 0 0 .385 3
	O2 0 0 .504 13
	O3 0 0 .627 1
	OU14 .057 -.057 .057 1/3 36
	OU15 -.130 .130 .007 1/3 11
	OU16 .223 .148 -.032 1/3 11
	OU24 .016 -.016 .276 .10 1
	OU25 -.128 .128 .199 .10 1
	OU26 .241 .130 .188 .10 1
	OD21 .032 -.032 .152 .23 1
	OD22 -.131 .131 .219 .23 1
	OD23 .234 .137 .241 .23 1
	OU34 -.032 .032 .845 1/3 5
	OU35 .131 -.131 .778 1/3 22
	OU36 .137 .234 .756 1/3 22
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	Forsterite
	Kudoh Y, Takeuchi Y
	Zeitschrift fur Kristallographie 171 (1985) 291-302
	The crystal structure of forsterite Mg2SiO4 under high pressure up to 149 kb
	Sample: P = 31 kbar
	_database_code_amcsd 0010928
	4.724 10.077 5.942 90 90 90 Pbnm
	atom x y z Biso
	Mg1 0 0 0 .30
	Mg2 .9894 .2739 .25 .12
	Si .4258 .0971 .25 .10
	O1 .7656 .0883 .25 .35
	O2 .2153 .4481 .25 .35
	O3 .2781 .1639 .0322 .32
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	Forsterite
	Kudoh Y, Takeuchi Y
	Zeitschrift fur Kristallographie 171 (1985) 291-302
	The crystal structure of forsterite Mg2SiO4 under high pressure up to 149 kb
	Sample: P = 47 kbar
	_database_code_amcsd 0010929
	4.716 10.031 5.901 90 90 90 Pbnm
	atom x y z Biso
	Mg1 0 0 0 .28
	Mg2 .9920 .2776 .25 .08
	Si .4263 .0939 .25 .05
	O1 .7667 .0910 .25 .37
	O2 .2222 .4471 .25 .25
	O3 .2785 .1634 .0329 .22
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	Forsterite
	Kudoh Y, Takeuchi Y
	Zeitschrift fur Kristallographie 171 (1985) 291-302
	The crystal structure of forsterite Mg2SiO4 under high pressure up to 149 kb
	Sample: P = 53 kbar
	_database_code_amcsd 0010930
	4.709 10.010 5.896 90 90 90 Pbnm
	atom x y z Biso
	Mg1 0 0 0 .18
	Mg2 .9913 .2773 .25 .20
	Si .4268 .0941 .25 .06
	O1 .7660 .0915 .25 .24
	O2 .2209 .4476 .25 .18
	O3 .2766 .1628 .0319 .25
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	Forsterite
	Kudoh Y, Takeuchi Y
	Zeitschrift fur Kristallographie 171 (1985) 291-302
	The crystal structure of forsterite Mg2SiO4 under high pressure up to 149 kb
	Sample: P = 79 kbar
	_database_code_amcsd 0010931
	4.688 9.933 5.861 90 90 90 Pbnm
	atom x y z Biso
	Mg1 0 0 0 .38
	Mg2 .9929 .2762 .25 .14
	Si .4261 .0945 .25 .01
	O1 .7670 .0919 .25 .48
	O2 .2224 .4479 .25 .44
	O3 .2777 .1637 .0336 .12
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	Forsterite
	Kudoh Y, Takeuchi Y
	Zeitschrift fur Kristallographie 171 (1985) 291-302
	The crystal structure of forsterite Mg2SiO4 under high pressure up to 149 kb
	Sample: P = 86 kbar
	_database_code_amcsd 0010932
	4.685 9.913 5.845 90 90 90 Pbnm
	atom x y z Biso
	Mg1 0 0 0 .40
	Mg2 .9903 .2768 .25 .18
	Si .4278 .0945 .25 .01
	O1 .7680 .0913 .25 .21
	O2 .2189 .4476 .25 .45
	O3 .2771 .1646 .0336 .05
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	Forsterite
	Kudoh Y, Takeuchi Y
	Zeitschrift fur Kristallographie 171 (1985) 291-302
	The crystal structure of forsterite Mg2SiO4 under high pressure up to 149 kb
	Sample: P = 111 kbar
	_database_code_amcsd 0010933
	4.668 9.852 5.836 90 90 90 Pbnm
	atom x y z Biso
	Mg1 0 0 0 .45
	Mg2 .9945 .2741 .25 .20
	Si .4316 .0942 .25 .0
	O1 .7715 .0908 .25 .07
	O2 .2131 .4506 .25 .12
	O3 .2862 .1644 .0322 .22
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	Forsterite
	Kudoh Y, Takeuchi Y
	Zeitschrift fur Kristallographie 171 (1985) 291-302
	The crystal structure of forsterite Mg2SiO4 under high pressure up to 149 kb
	Sample: P = 149 kbar
	_database_code_amcsd 0010934
	4.651 9.770 5.744 90 90 90 Pbnm
	atom x y z Biso
	Mg 0 0 0 .0
	Mg .9915 .2768 .25 .2
	Si .4288 .0958 .25 .0
	O1 .7574 .0834 .25 .0
	O2 .2056 .4499 .25 .3
	O3 .2737 .1708 .0413 .6
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	Hatrurite
	Nishi F, Takeuchi Y, Maki I
	Zeitschrift fur Kristallographie 172 (1985) 297-314
	Tricalcium silicate Ca3O[SiO4]: The monoclinic superstructure
	Locality: synthetic
	_database_code_amcsd 0010938
	33.083 7.027 18.499 90 94.12 90 Cm
	atom x y z occ Biso
	Ca1A .0075 0 .0090 .5 4.0
	Ca1B .0024 0 .0056 .5 4.0
	Ca2A .6672 0 .1751 .5 .1
	Ca2B .6673 0 .1741 .5 .1
	Ca3A .3240 0 .3330 .5 1.0
	Ca3B .3193 0 .3307 .5 1.0
	Ca4A .0020 0 .5044 .5 .4
	Ca4B -.0133 0 .4971 .5 .4
	Ca5A .6640 0 .6714 .5 .6
	Ca5B .6632 0 .6697 .5 .6
	Ca6A .3428 0 .8352 .5 1.6
	Ca6B .3301 0 .8213 .5 1.6
	Ca7A .5973 0 -.0611 .5 .2
	Ca7B .5911 0 -.0691 .5 .2
	Ca8A .2611 0 .0952 .5 2.5
	Ca8B .2568 0 .0864 .5 2.5
	Ca9A -.0801 0 .2667 .5 1.3
	Ca9B -.0810 0 .2644 .5 1.3
	Ca10A .5874 0 .4390 .5 .9
	Ca10B .5856 0 .4369 .5 .9
	Ca11A .2575 0 .5989 .5 .2
	Ca11B .2561 0 .5976 .5 .2
	Ca12A -.0742 0 .7698 .5 .6
	Ca12B -.0743 0 .7689 .5 .6
	Ca13A .7356 0 -.1037 .5 .3
	Ca13B .7413 0 -.0957 .5 .3
	Ca14A .4000 0 .0792 .5 3.9
	Ca14B .3982 0 .0706 .5 3.9
	Ca15A .0651 0 .2486 .5 .9
	Ca15B .0628 0 .2445 .5 .9
	Ca16A .7286 0 .4010 .5 1.8
	Ca16B .7272 0 .4042 .5 1.8
	Ca17A .4004 0 .5711 .5 1.4
	Ca17B .3984 0 .5675 .5 1.4
	Ca18A .0694 0 .7491 .5 1.5
	Ca18B .0647 0 .7349 .5 1.5
	Ca19A -.0846 .2988 -.0926 .5 1.0
	Ca19B -.0793 .2677 -.0789 .5 1.0
	Ca20A .5799 .3018 .0844 .5 1.6
	Ca20B .5850 .2058 .1013 .5 1.6
	Ca21A .2411 .2447 .2470 .5 .2
	Ca21B .2459 .2559 .2501 .5 .2
	Ca22A -.0941 .2566 .4130 .5 .2
	Ca22B -.0885 .2550 .4273 .5 .2
	Ca23A .5744 .2726 .5851 .5 .8
	Ca23B .5784 .2399 .5943 .5 .8
	Ca24A .2435 .2491 .7443 .5 .5
	Ca24B .2468 .2347 .7554 .5 .5
	Ca25A .0052 .2343 -.1598 .5 .1
	Ca25B .0051 .2338 -.1501 .5 .1
	Ca26A .6704 .2318 .0073 .5 .2
	Ca26B .6771 .2306 .0144 .5 .2
	Ca27A .3354 .2257 .1731 .5 .3
	Ca27B .3365 .2385 .1853 .5 .3
	Ca28A -.0047 .2281 .3417 .5 .2
	Ca28B .0018 .2540 .3490 .5 .2
	Ca29A .6630 .2288 .5097 .5 .9
	Ca29B .6688 .2292 .5147 .5 .9
	Ca30A .3350 .2592 .6750 .5 .7
	Ca30B .3360 .2165 .6827 .5 .7
	Ca31A .8294 .2577 -.0192 .5 1.2
	Ca31B .8306 .2893 -.0026 .5 1.2
	Ca32A .4840 .2722 .1583 .5 1.8
	Ca32B .4905 .2303 .1584 .5 1.8
	Ca33A .1468 .2503 .3304 .5 1.4
	Ca33B .1562 .2900 .3320 .5 1.4
	Ca34A .8167 .2762 .4875 .5 .6
	Ca34B .8224 .2520 .4918 .5 .6
	Ca35A .4941 .2854 .6505 .5 .9
	Ca35B .4893 .2759 .6649 .5 .9
	Ca36A .1569 .2749 .8198 .5 .1
	Ca36B .1643 .2675 .8283 .5 .1
	Si1 .0833 0 .4288 2.1
	Si2 .2384 0 -.0838 .3
	Si3 .4292 0 .7460 1.5
	Si4 .5699 0 .7506 .2
	Si5 -.0943 0 .0741 .1
	Si6 -.1015 0 .5918 1.5
	Si7 .0966 0 -.0851 .5
	Si8 .1637 0 .1591 1.0
	Si9 .1628 0 .6629 .3
	Si10 .2340 0 .4118 3.8
	Si11 .4214 0 .2509 1.5
	Si12 .5008 0 .0039 .7
	Si13 .4975 0 .5004 2.5
	Si14 .5682 0 .2442 .3
	Si15 .7600 0 .0882 .2
	Si16 .7563 0 .5803 .2
	Si17 -.1748 0 .3338 .4
	Si18 -.1693 0 -.1575 .2
	O1A .990 0 .245 .5 4.2
	O1B .988 0 .245 .5 4.2
	O2A .038 0 .119 .5 3.8
	O2B .052 0 .124 .5 3.8
	O3A .030 0 .599 .5 2.8
	O3B .038 0 .610 .5 2.8
	O4A -.004 0 .753 .5 1.0
	O4B -.005 0 .754 .5 1.0
	O5A .372 0 -.077 .5 2.8
	O5B .373 0 -.047 .5 2.8
	O6A .329 0 .075 .5 4.1
	O6B .331 0 .077 .5 4.1
	O7A .289 0 .211 .5 2.7
	O7B .289 0 .223 .5 2.7
	O8A .362 0 .441 .5 .8
	O8B .362 0 .442 .5 .8
	O9A .325 0 .583 .5 .1
	O9B .334 0 .595 .5 .1
	O10A .282 0 .724 .5 1.4
	O10B .293 0 .732 .5 1.4
	O11A .666 0 -.093 .5 .5
	O11B .675 0 -.081 .5 .5
	O12A .627 0 .049 .5 1.5
	O12B .634 0 .067 .5 1.5
	O13A .706 0 .285 .5 2.6
	O13B .704 0 .290 .5 2.6
	O14A .648 0 .421 .5 2.1
	O14B .655 0 .414 .5 2.1
	O15A .608 0 .564 .5 1.5
	O15B .622 0 .567 .5 1.5
	O16A .705 0 .763 .5 1.4
	O16B .709 0 .771 .5 1.4
	O17A .949 0 .376 .5 1.5
	O17B .957 0 .401 .5 1.5
	O18A .960 0 .897 .5 .8
	O18B .965 0 .907 .5 .8
	OD11 .111 0 .357 8.1
	OD12 .035 0 .408 4.2
	OD13 .096 .187 .474 3.2
	OU24 .215 0 -.011 .5
	OU25 .286 0 -.063 2.9
	OU26 .226 .184 -.133 2.1
	OD31 .450 0 .668 1.7
	OD32 .379 0 .730 2.3
	OD33 .443 .183 .791 1.6
	OU44 .549 0 .830 2.1
	OU45 .616 0 .767 1.5
	OU46 .555 .188 .704 2.0
	OU54 -.118 0 .149 1.5
	OU55 -.044 0 .093 1.2
	OU56 -.107 .187 .027 2.7
	OU64 -.123 0 .669 4.7
	OU65 -.054 0 .608 3.8
	OU66 -.117 .186 .542 2.3
	OD71 .119 0 -.161 .68 .7
	OD72 .048 0 -.103 .68 1.6
	OD73 .110 .189 -.038 .68 3.9
	OU74 .074 0 -.009 .32 4.0
	OU75 .055 0 -.138 .32 2.0
	OU76 .125 .189 -.073 .32 1.9
	OG81 .141 .050 .080 .5 3.5
	OG82 .134 -.123 .208 .5 3.5
	OG83 .205 -.123 .151 .5 3.5
	OG84 .176 .197 .202 .5 3.5
	OD91 .185 0 .587 .59 1.3
	OD92 .114 0 .645 .59 1.3
	OD93 .176 .189 .710 .59 1.3
	OU94 .140 0 .739 .32 1.3
	OU95 .212 0 .681 .32 1.3
	OU96 .141 .189 .627 .32 1.3
	OG91 .140 .050 .584 .045 1.3
	OG92 .133 -.123 .712 .045 1.3
	OG93 .204 -.123 .655 .045 1.3
	OG94 .175 .197 .706 .045 1.3
	OD101 .255 0 .335 .59 11.0
	OD102 .268 0 .480 .59 2.7
	OD103 .206 .189 .415 .59 2.
	OU104 .212 0 .487 .41 6.
	OU105 .283 0 .430 .41 2.
	OU106 .221 .189 .365 .41 3.
	OD111 .444 0 .175 .57 5.
	OD112 .372 0 .233 .57 3.
	OD113 .435 .189 .298 .57 3.
	OU114 .399 0 .327 .43 5.
	OU115 .382 0 .193 .43 5.
	OU116 .450 .189 .257 .43 2.3
	OU124 .478 0 .080 .43 6.
	OU125 .550 0 .022 .43 6.
	OU126 .487 .189 -.043 .43 6.
	OG121 .478 .050 -.075 .285 6.
	OG122 .466 -.123 .040 .285 6.
	OG123 .542 -.123 -.004 .285 6.
	OG124 .513 .197 .047 .285 6.
	OD131 .520 0 .425 .37 3.4
	OD132 .448 0 .483 .37 3.4
	OD133 .511 .189 .547 .37 3.4
	OG131 .520 .050 .580 .315 3.4
	OG132 .526 -.128 .451 .315 3.4
	OG133 .456 -.123 .508 .315 3.4
	OG134 .481 .197 .463 .315 3.4
	OD141 .591 0 .169 .37 16.
	OD142 .602 0 .312 .37 12.
	OD143 .540 .189 .248 .37 2.4
	OU144 .546 0 .320 .63 12.
	OU145 .617 0 .262 .63 6.
	OU146 .555 .189 .197 .63 16.
	OD151 .782 0 .013 .22 11.
	OD152 .711 0 .070 .22 4.
	OD153 .773 .189 .135 .22 2.
	OU154 .738 0 .164 .78 6.
	OU155 .726 0 .020 .78 2.4
	OU156 .788 .189 .085 .78 3.3
	OD161 .778 0 .505 .93 0.4
	OD162 .707 0 .565 .93 0.5
	OD163 .769 .191 .626 .93 1.4
	OU164 .734 0 .656 .07 0.8
	OU165 .717 0 .522 .07 0.8
	OU166 .787 .180 .594 .07 0.8
	OU174 -.197 0 .409 .07 4.6
	OU175 -.126 0 .352 .07 4.6
	OU176 -.188 .189 .287 .07 4.6
	OG171 -.197 .050 .255 .2325 4.6
	OG172 -.204 -.123 .383 .2325 4.6
	OG173 -.134 -.123 .326 .2325 4.6
	OG174 -.163 .197 .377 .2325 4.6
	OG175 -.152 .050 .413 .2325 4.6
	OG176 -.145 -.123 .285 .2325 4.6
	OG177 -.216 -.123 .342 .2325 4.6
	OG178 -.187 .197 .291 .2325 4.6
	OU184 -.192 0 -.082 .78 2.0
	OU185 -.120 0 -.140 .78 2.0
	OU186 -.183 .189 -.204 .78 2.0
	OG181 -.192 .050 -.237 .11 2.0
	OG182 -.199 -.123 -.108 .11 2.0
	OG183 -.128 -.123 -.165 .11 2.0
	OG184 -.158 .210 -.125 .11 2.0
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	Covellite
	Takeuchi Y, Kudoh Y, Sato G
	Zeitschrift fur Kristallographie 173 (1985) 119-128
	The crystal structure of covellite CuS
	under high pressure up to 33 kbar
	Locality: Kosaka mine, Akita Prefecture, Japan
	Sample: P = 1 kbar
	_database_code_amcsd 0010940
	3.796 3.796 16.382 90 90 120 P6_3/mmc
	atom x y z Biso
	Cu1 1/3 2/3 .75 2.90
	Cu2 1/3 2/3 .10724 1.20
	S1 1/3 2/3 .25 1.70
	S2 0 0 .0637 .84
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	Covellite
	Takeuchi Y, Kudoh Y, Sato G
	Zeitschrift fur Kristallographie 173 (1985) 119-128
	The crystal structure of covellite CuS
	under high pressure up to 33 kbar
	Locality: Kosaka mine, Akita Prefecture, Japan
	Sample: P = 12 kbar
	_database_code_amcsd 0010941
	3.768 3.768 16.27 90 90 120 P6_3/mmc
	atom x y z Biso
	Cu1 1/3 2/3 .75 5.9
	Cu2 1/3 2/3 .1107 .9
	S1 1/3 2/3 .25 6
	S2 0 0 .066 1.4
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	Covellite
	Takeuchi Y, Kudoh Y, Sato G
	Zeitschrift fur Kristallographie 173 (1985) 119-128
	The crystal structure of covellite CuS
	under high pressure up to 33 kbar
	Locality: Kosaka mine, Akita Prefecture, Japan
	Sample: P = 18 kbar
	_database_code_amcsd 0010942
	3.760 3.760 16.20 90 90 120 P6_3/mmc
	atom x y z Biso
	Cu1 1/3 2/3 .75 5.4
	Cu2 1/3 2/3 .1111 .8
	S1 1/3 2/3 .25 1.4
	S2 0 0 .069 2.0
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	Covellite
	Takeuchi Y, Kudoh Y, Sato G
	Zeitschrift fur Kristallographie 173 (1985) 119-128
	The crystal structure of covellite CuS
	under high pressure up to 33 kbar
	Locality: Kosaka mine, Akita Prefecture, Japan
	Sample: P = 21 kbar
	_database_code_amcsd 0010943
	3.757 3.757 16.19 90 90 120 P6_3/mmc
	atom x y z Biso
	Cu1 1/3 2/3 .75 2.9
	Cu2 1/3 2/3 .1197 .32
	S1 1/3 2/3 .25 .7
	S2 0 0 .069 2.8
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	Covellite
	Takeuchi Y, Kudoh Y, Sato G
	Zeitschrift fur Kristallographie 173 (1985) 119-128
	The crystal structure of covellite CuS
	under high pressure up to 33 kbar
	Locality: Kosaka mine, Akita Prefecture, Japan
	Sample: P = 33 kbar
	_database_code_amcsd 0010944
	3.729 3.729 16.11 90 90 120 P6_3/mmc
	atom x y z Biso
	Cu1 1/3 2/3 .75 5
	Cu2 1/3 2/3 .123 .4
	S1 1/3 2/3 .25 1
	S2 0 0 .076 1
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	Danburite
	Sugiyama K, Takeuchi Y
	Zeitschrift fur Kristallographie 173 (1985) 293-304
	Unusual thermal expansion of a B-O bond in the structure of danburite CaB2Si2O8
	Locality: Toroku mine, Miyazaki Prefecture, Japan
	Note: AnisoB's from ICSD
	Sample: T = 25 C
	_database_code_amcsd 0010946
	8.037 8.757 7.7218 90 90 90 Pnam
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ca .38555 .07648 .25 .514 .00231 .00156 .00195 .00006 0 0
	B .2589 .4192 .4206 .426 .00175 .00149 .00153 -.00005 -.00002 -.00006
	Si .05333 .19250 -.05574 .295 .00134 .00092 .00107 -.00002 .00002 -.00004
	O1 .19291 .06797 -.00324 .599 .00248 .00138 .00307 .00070 -.00073 -.00044
	O2 .12632 .36496 -.04233 .498 .00222 .00123 .00229 -.00040 -.00076 .00008
	O3 .39965 .31351 .07820 .490 .00179 .00188 .00181 .00045 .00049 .00020
	O4 .5137 .6640 .25 .610 .00294 .00269 .00103 .00070 0 0
	O5 .1838 .4282 .25 .590 .00177 .00324 .00134 .00051 0 0
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	Danburite
	Sugiyama K, Takeuchi Y
	Zeitschrift fur Kristallographie 173 (1985) 293-304
	Unusual thermal expansion of a B-O-bond in the structure of danburite CaB2Si2O8
	Locality: Toroku mine, Miyazaki Prefecture, Japan
	Note: AnisoB's from ICSD
	Sample: T = 208 C
	_database_code_amcsd 0010947
	8.046 8.765 7.734 90 90 90 Pnam
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ca .38657 .07657 .25 1.066 .00453 .00305 .00454 -.00010 0 0
	B .2593 .4190 .4206 .835 .0035 .0025 .0035 -.0001 .0001 -.0002
	Si .05381 .19252 -.05598 .638 .00292 .00177 .00257 -.00005 .00001 -.00006
	O1 .1930 .0679 -.0038 1.154 .0044 .0028 .0061 .0012 -.0012 -.0006
	O2 .1266 .3649 -.0417 1.012 .0046 .0023 .0048 -.0007 -.0015 .0003
	O3 .4006 .3138 .0779 .950 .0035 .0032 .0040 .0007 .00079 .0005
	O4 .5125 .6651 .25 1.129 .0051 .0046 .0028 .0012 0 0
	O5 .1849 .4274 .25 1.116 .0029 .0058 .0034 .0009 0 0
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	Danburite
	Sugiyama K, Takeuchi Y
	Zeitschrift fur Kristallographie 173 (1985) 293-304
	Unusual thermal expansion of a B-O-bond in the structure of danburite CaB2Si2O8
	Locality: Toroku mine, Miyazaki Prefecture, Japan
	Note: AnisoB's from ICSD
	Sample: T = 407 C
	_database_code_amcsd 0010948
	8.061 8.777 7.745 90 90 90 Pnam
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ca .38733 .07669 .25 1.336 .00565 .00386 .0056 -.00015 0 0
	B .2599 .4190 .4206 .943 .0037 .0029 .0041 .0000 .0002 -.0001
	Si .05432 .19252 -.05619 .714 .00307 .00205 .00296 -.00009 .00005 -.00005
	O1 .1935 .0683 -.0045 1.405 .0058 .0030 .0075 .0016 -.0013 -.0009
	O2 .1270 .3646 -.0413 1.159 .0048 .0026 .0060 -.0009 -.0018 .0005
	O3 .4016 .3143 .0776 1.125 .0039 .0039 .0048 .0008 .0008 .0008
	O4 .5117 .6658 .25 1.389 .0066 .0054 .0032 .0018 0 0
	O5 .1857 .4270 .25 1.341 .0042 .0070 .0032 .0014 0 0
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	Danburite
	Sugiyama K, Takeuchi Y
	Zeitschrift fur Kristallographie 173 (1985) 293-304
	Unusual thermal expansion of a B-O-bond in the structure of danburite CaB2Si2O8
	Locality: Toroku mine, Miyazaki Prefecture, Japan
	Note: AnisoB's from ICSD
	Sample: T = 618 C
	_database_code_amcsd 0010949
	8.078 8.786 7.762 90 90 90 Pnam
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ca .3881 .0767 .25 1.726 .0074 .0050 .0071 -.00022 0 0
	B .2608 .4189 .4203 1.098 .0047 .0035 .0040 -.0001 .0000 .0000
	Si .05489 .19258 -.05643 .899 .0040 .00254 .0036 -.00006 .00008 -.00004
	O1 .1938 .0681 -.0052 1.759 .0069 .0037 .0096 .0019 -.0017 -.0010
	O2 .1273 .3646 -.0412 1.483 .0064 .0032 .0074 -.0013 -.0024 .0004
	O3 .4024 .3145 .0773 1.432 .0052 .0052 .0055 .0012 .0015 .0009
	O4 .5116 .6666 .25 1.787 .0084 .0072 .0040 .0024 0 0
	O5 .1865 .4259 .25 1.747 .0053 .0095 .0039 .0015 0 0
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	Danburite
	Sugiyama K, Takeuchi Y
	Zeitschrift fur Kristallographie 173 (1985) 293-304
	Unusual thermal expansion of a B-O-bond in the structure of danburite CaB2Si2O8
	Locality: Toroku mine, Miyazaki Prefecture, Japan
	Note: AnisoB's from ICSD
	Note: x(B) corrected to match reported bond lengths
	Sample: T = 817 C
	_database_code_amcsd 0010950
	8.092 8.796 7.7768 90 90 90 Pnam
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ca .3889 .0768 .25 2.127 .0092 .0062 .0085 -.0003 0 0
	B .2614 .4191 .4200 1.302 .0052 .0044 .0048 -.0002 .0001 .0001
	Si .05545 .19272 -.05656 1.057 .0046 .00314 .0041 -.00014 .00007 -.00020
	O1 .1942 .0681 -.0055 2.128 .0084 .0048 .0111 .0025 -.0022 -.0013
	O2 .1279 .3642 -.0410 1.802 .0078 .0041 .0087 -.0015 -.0030 .0004
	O3 .4031 .3150 .0768 1.704 .0061 .0065 .0061 .0016 .0014 .0008
	O4 .5108 .6678 .25 2.165 .0103 .0091 .0040 .0021 0 0
	O5 .1878 .4256 .25 2.054 .0062 .0117 .0038 .0019 0 0
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	Danburite
	Sugiyama K, Takeuchi Y
	Zeitschrift fur Kristallographie 173 (1985) 293-304
	Unusual thermal expansion of a B-O-bond in the structure of danburite CaB2Si2O8
	Locality: Toroku mine, Miyazaki Prefecture, Japan
	Note: AnisoB's from ICSD
	Sample: T = 910 C
	_database_code_amcsd 0010951
	8.101 8.801 7.786 90 90 90 Pnam
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ca .3892 .0768 .25 2.328 .0099 .0066 .0097 -.0003 0 0
	B .2619 .4186 .4197 1.412 .0056 .0042 .0061 -.0003 -.0001 -.0003
	Si .05564 .19260 -.05649 1.167 .0050 .00322 .0049 -.00008 -.00007 -.00021
	O1 .1944 .0684 -.0061 2.324 .0095 .0048 .0124 .0026 -.0023 -.0016
	O2 .1281 .3641 -.0404 1.920 .0087 .0039 .0093 -.0015 -.0031 .0005
	O3 .4032 .3151 .0766 1.882 .0067 .0066 .0066 .0017 .0019 .0008
	O4 .5102 .6676 .25 2.299 .0112 .0089 .0050 .0024 0 0
	O5 .1882 .4250 .25 2.205 .0068 .0116 .0051 .0019 0 0
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	Helvine
	Kudoh Y, Takeuchi Y
	Zeitschrift fur Kristallographie 173 (1985) 305-312
	The effect of pressure on helvite Mn8S2[Be6Si6O24]
	Locality: Schwarzenberg, Saxony
	Sample: P = 14 kbar
	_database_code_amcsd 0010952
	8.261 8.261 8.261 90 90 90 P-43n
	atom x y z Biso
	Mn .1680 .1680 .1680 .03
	Be .5 0 .25 9.60
	Si 0 .5 .25 .04
	O .1414 .1400 .4151 .38
	S .5 .5 .5 7.25
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	Helvine
	Kudoh Y, Takeuchi Y
	Zeitschrift fur Kristallographie 173 (1985) 305-312
	The effect of pressure on helvite Mn8S2[Be6Si6O24]
	Locality: Schwarzenberg, Saxony
	Sample: P = 27 kbar
	_database_code_amcsd 0010953
	8.223 8.223 8.223 90 90 90 P-43n
	atom x y z Biso
	Mn .1703 .1703 .1703 .66
	Be .5 0 .25 7.70
	Si 0 .5 .25 .48
	O .1399 .1405 .4134 .68
	S .5 .5 .5 2.0
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	Helvine
	Kudoh Y, Takeuchi Y
	Zeitschrift fur Kristallographie 173 (1985) 305-312
	The effect of pressure on helvite Mn8S2[Be6Si6O24]
	Locality: Schwarzenberg, Saxony
	Sample: P = 36 kbar
	_database_code_amcsd 0010954
	8.214 8.214 8.214 90 90 90 P-43n
	atom x y z Biso
	Mn .1702 .1702 .1702 .82
	Be .5 0 .25 3.0
	Si 0 .5 .25 .32
	O .1399 .1422 .4156 .38
	S .5 .5 .5 2.5
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	Helvine
	Kudoh Y, Takeuchi Y
	Zeitschrift fur Kristallographie 173 (1985) 305-312
	The effect of pressure on helvite Mn8S2[Be6Si6O24]
	Locality: Schwarzenberg, Saxony
	Sample: P = 40 kbar
	_database_code_amcsd 0010955
	8.203 8.203 8.203 90 90 90 P-43n
	atom x y z Biso
	Mn .1708 .1708 .1708 .87
	Be .5 0 .25 5.80
	Si 0 .5 .25 .61
	O .1382 .140 .4147 .58
	S .5 .5 .5 3.1
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	Helvine
	Kudoh Y, Takeuchi Y
	Zeitschrift fur Kristallographie 173 (1985) 305-312
	The effect of pressure on helvite Mn8S2[Be6Si6O24]
	Locality: Schwarzenberg, Saxony
	Sample: P = 45 kbar
	_database_code_amcsd 0010956
	8.190 8.190 8.190 90 90 90 P-43n
	atom x y z Biso
	Mn .1700 .1700 .1700 .77
	Be .5 0 .25 4.00
	Si 0 .5 .25 .47
	O .1387 .1402 .4137 .71
	S .5 .5 .5 3.1
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	Hutchinsonite
	Matsushita Y, Takeuchi Y
	Zeitschrift fur Kristallographie 209 (1994) 475-478
	Refinement of the crystal structure of hutchinsonite, TlPbAs5S9
	_database_code_amcsd 0011062
	10.786 35.3890 8.141 90 90 90 Pbca
	atom x y z occ Biso
	PbM1 .36090 .24688 .10582 1.04
	TlM2 .33847 .12202 .63384 1.82
	As1 .1110 .19488 .7045 .74
	As2 .1021 .18479 .1262 .9449 .66
	Sb2 .1021 .18479 .1262 .0551 .66
	As3 .4347 .11605 .1331 .8368 .75
	Sb3 .4347 .11605 .1331 .1632 .75
	As4 .1367 .04815 .2161 .96
	As5 .3823 .02875 .9544 .79
	S1 .3975 .1893 .3648 .9
	S2 .4119 .1906 .8637 1.0
	S3 .1150 .25409 .3696 .8
	S4 .1303 .1374 .3237 1.0
	S5 .1156 .14665 .8960 1.0
	S6 .3876 .0150 .6853 1.5
	S7 .1949 .0570 .9529 1.8
	S8 .4372 .0670 .3267 1.1
	S9 .0076 .0796 .5851 1.2
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	Forsterite
	Takeuchi Y, Yamanaka T, Haga N, Hirano M
	Materials Science of the Earth's Interior, edited by Sunagawa 1984 (1984) 191-231
	High-temperature crystallography of olivines and spinels
	T = 25 degree C
	_database_code_amcsd 0014393
	4.7503 10.187 5.9771 90 90 90 Pbnm
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Mg1 0 0 0 .53 .0063 .00164 .0025 -.00014 -.0004 -.00033
	Mg2 .9916 .27750 .25 .53 .0070 .00123 .0032 .00006 0 0
	Si .4266 .09413 .25 .37 .0042 .00106 .0021 .00004 0 0
	O1 .7664 .0914 .25 .52 .0047 .00169 .0030 .0001 0 0
	O2 .2215 .4472 .25 .49 .0064 .00113 .0030 .0001 0 0
	O3 .2778 .1631 .0332 .54 .0066 .00154 .0026 .0000 -.0002 -.00041
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	Forsterite
	Takeuchi Y, Yamanaka T, Haga N, Hirano M
	Materials Science of the Earth's Interior, edited by Sunagawa 1984 (1984) 191-231
	High-temperature crystallography of olivines and spinels
	T = 310 degree C
	_database_code_amcsd 0014394
	4.75800 10.219 5.9899 90 90 90 Pbnm
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Mg1 0 0 0 .93 .0098 .00283 .0050 -.0001 -.0009 -.0007
	Mg2 .9919 .2780 .25 .95 .0123 .00205 .0061 .0001 0 0
	Si .4266 .09406 .25 .67 .0074 .00177 .0042 .0000 0 0
	O1 .7653 .0915 .25 .86 .0072 .0027 .0057 .0004 0 0
	O2 .2223 .4476 .25 .88 .0109 .0019 .0061 .0005 0 0
	O3 .2788 .1630 .0336 .94 .0106 .0026 .0053 .0003 -.0005 .0007
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	Forsterite
	Takeuchi Y, Yamanaka T, Haga N, Hirano M
	Materials Science of the Earth's Interior, edited by Sunagawa 1984 (1984) 191-231
	High-temperature crystallography of olivines and spinels
	T = 530 degree C
	_database_code_amcsd 0014395
	4.767 10.248 6.0059 90 90 90 Pbnm
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Mg1 0 0 0 1.13 .0106 .00352 .0065 -.00023 -.0012 -.00096
	Mg2 .9923 .27838 .25 1.11 .0131 .00236 .0080 .00019 0 0
	Si .4267 .09419 .25 .71 .0062 .00191 .0054 .00004 0 0
	O1 .7647 .0916 .25 1.01 .0067 .0033 .0072 .0002 0 0
	O2 .2219 .4481 .25 .98 .0109 .00196 .0077 .0000 0 0
	O3 .2796 .16302 .0341 1.10 .0113 .00302 .0070 .0001 -.0004 .0011
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	Forsterite
	Takeuchi Y, Yamanaka T, Haga N, Hirano M
	Materials Science of the Earth's Interior, edited by Sunagawa 1984 (1984) 191-231
	High-temperature crystallography of olivines and spinels
	T = 700 degree C
	_database_code_amcsd 0014396
	4.777 10.269 6.0184 90 90 90 Pbnm
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Mg1 0 0 0 1.37 .0128 .00425 .0079 -.0002 -.0015 -.00113
	Mg2 .9925 .27867 .25 1.34 .0157 .00280 .0094 .0003 0 0
	Si .4268 .09419 .25 .86 .0075 .00231 .0064 .00004 0 0
	O1 .7642 .0915 .25 1.20 .0081 .0038 .0087 .0002 0 0
	O2 .2218 .4485 .25 1.16 .0127 .0022 .0094 .0000 0 0
	O3 .2799 .1631 .0346 1.32 .0132 .00356 .0086 .0002 -.0004 .0014
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	Forsterite
	Takeuchi Y, Yamanaka T, Haga N, Hirano M
	Materials Science of the Earth's Interior, edited by Sunagawa 1984 (1984) 191-231
	High-temperature crystallography of olivines and spinels
	T = 950 degree C
	_database_code_amcsd 0014397
	4.789 10.321 6.045 90 90 90 Pbnm
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Mg1 0 0 0 2.00 .0195 .0055 .0129 -.0003 -.0019 -.0015
	Mg2 .9926 .2791 .25 1.97 .0220 .0038 .0156 .0005 0 0
	Si .4268 .09419 .25 1.33 .0118 .00317 .0106 .0002 0 0
	O1 .7640 .0914 .25 1.84 .0141 .0047 .0151 .0005 0 0
	O2 .2216 .4490 .25 1.73 .0195 .0029 .0147 -.0001 0 0
	O3 .2813 .1630 .0355 1.89 .0186 .0047 .0133 .0002 -.0004 .0017
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	Forsterite
	Takeuchi Y, Yamanaka T, Haga N, Hirano M
	Materials Science of the Earth's Interior, edited by Sunagawa 1984 (1984) 191-231
	High-temperature crystallography of olivines and spinels
	T = 1050 degree C
	_database_code_amcsd 0014398
	4.7951 10.343 6.0571 90 90 90 Pbnm
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Mg1 0 0 0 2.29 .0222 .0062 .0149 -.0007 -.0023 -.0019
	Mg2 .9930 .2795 .25 2.25 .0260 .0042 .0176 .0005 0 0
	Si .4270 .0944 .25 1.47 .0131 .00342 .0118 .0002 0 0
	O1 .7633 .0912 .25 2.07 .0146 .0053 .0177 .0005 0 0
	O2 .2208 .4497 .25 2.00 .022 .0032 .0175 .0001 0 0
	O3 .2820 .1631 .0357 2.19 .0217 .0053 .0159 .0002 .0000 .0022
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	Forsterite
	Takeuchi Y, Yamanaka T, Haga N, Hirano M
	Materials Science of the Earth's Interior, edited by Sunagawa 1984 (1984) 191-231
	High-temperature crystallography of olivines and spinels
	T = 1210 degree C
	_database_code_amcsd 0014399
	4.808 10.378 6.077 90 90 90 Pbnm
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Mg1 0 0 0 2.64 .0250 .0073 .0167 -.0006 -.0029 -.0023
	Mg2 .9932 .2799 .25 2.61 .0297 .0046 .0210 .0006 0 0
	Si .4268 .0946 .25 1.68 .0150 .00382 .0135 .0001 0 0
	O1 .7631 .0911 .25 2.40 .0173 .0061 .0200 .0003 0 0
	O2 .2204 .4499 .25 2.24 .024 .0036 .0200 .0000 0 0
	O3 .2829 .1629 .0365 2.52 .0248 .0060 .0181 .0007 .0000 .0026
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	Forsterite
	Takeuchi Y, Yamanaka T, Haga N, Hirano M
	Materials Science of the Earth's Interior, edited by Sunagawa 1984 (1984) 191-231
	High-temperature crystallography of olivines and spinels
	T = 1400 degree C
	_database_code_amcsd 0014400
	4.819 10.424 6.099 90 90 90 Pbnm
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Mg1 0 0 0 3.21 .0301 .0089 .0199 -.0009 -.0033 -.0024
	Mg2 .9937 .2803 .25 3.15 .0361 .0055 .0247 .0004 0 0
	Si .4269 .0947 .25 2.03 .0175 .00476 .0160 .0001 0 0
	O1 .7625 .0911 .25 2.89 .022 .0073 .0232 .0003 0 0
	O2 .2195 .4510 .25 2.72 .032 .0042 .0229 .0000 0 0
	O3 .2845 .1630 .0380 3.02 .030 .0071 .0211 .0008 -.0006 .0031
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	Forsterite
	Takeuchi Y, Yamanaka T, Haga N, Hirano M
	Materials Science of the Earth's Interior, edited by Sunagawa 1984 (1984) 191-231
	High-temperature crystallography of olivines and spinels
	T = 1600 degree C
	_database_code_amcsd 0014401
	4.834 10.455 6.1147 90 90 90 Pbnm
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Mg1 0 0 0 3.53 .036 .0116 .0145 -.0008 -.002 -.0029
	Mg2 .9946 .2814 .25 3.39 .044 .0076 .018 .0011 0 0
	Si .4274 .0945 .25 2.16 .018 .0058 .0153 -.0001 0 0
	O1 .763 .0910 .25 3.00 .029 .0097 .013 .000 0 0
	O2 .219 .4523 .25 2.78 .029 .0063 .019 .000 0 0
	O3 .285 .1631 .0392 3.17 .034 .0093 .015 .0001 .000 .0038
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	Haradaite
	Takeuchi Y, Joswig W
	Mineralogical Journal 5 (1967) 98-123
	The structure of haradaite and a note on the Si-O bond lengths in silicates
	Locality: Nodatamagawa manganese mine, Iwate, Japan
	_database_code_amcsd 0014413
	7.06 14.64 5.33 90 90 90 Amam
	atom x y z Biso
	Sr .25 .2058 0 1.27
	V .25 .3931 .5 1.35
	Si .0223 .1073 .5 1.41
	O1 -.0587 .1511 .2528 1.36
	O2 0 0 .5 .5
	O3 .25 -.0003 0 .5
	O4 .25 .1366 .5 .5
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	Pyrosmalite-(Mn)
	Takeuchi Y, Kawada I, Irimaziri S, Sadanaga R
	Mineralogical Journal 5 (1969) 450-467
	The crystal structure and polytypism of manganpyrosmalite
	Locality: Kyurazawa mine, Tochigi Prefecture, Japan
	_database_code_amcsd 0018490
	13.42 13.42 7.159 90 90 120 P-3m1
	atom x y z Biso
	Mn1 0 0 0 3.47
	Mn2 .2561 0 0 1.99
	Mn3 .5 0 0 2.49
	Mn4 .5116 .2558 .0376 2.09
	Si .4402 .1084 .6213 .92
	O1 .3294 0 .5 1.88
	O2 .5670 .1340 .5535 .19
	O3 .4295 .2147 .5776 1.12
	O4 .3939 .0750 .8462 1.25
	OH1 .1806 .0903 .7733 .71
	OH2 .3474 .1737 .1069 1.96
	OH3 .5670 .1340 .1894 3.56
	OH4 2/3 1/3 .7713 4.42
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	Covellite
	Ohmasa M, Suzuki M, Takeuchi Y
	Mineralogical Journal 8 (1977) 311-319
	A refinement of the crystal structure of covellite, CuS
	Locality: Kosaka mine, Akita Prefecture, Japan
	_database_code_amcsd 0014418
	3.796 3.796 16.382 90 90 120 P6_3/mmc
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Cu1 1/3 2/3 .75 .0322 .0322 .0412 .0161 0 0
	Cu2 1/3 2/3 .10724 .0166 .0166 .0139 .0083 0 0
	S1 1/3 2/3 .25 .0259 .0259 .0117 .01295 0 0
	S2 0 0 .0637 .0115 .0115 .0096 .00575 0 0
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	Xonotlite
	Kudoh Y, Takeuchi Y
	Mineralogical Journal 9 (1979) 349-373
	Polytypism in xonotlite: (I) Structure of an A-1 polytype
	Locality: Heguri, Chiba Prefecture, Japan
	_database_code_amcsd 0014421
	8.712 7.363 14.023 89.99 90.36 102.18 A-1
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ca1 .5046 .0016 .2523 .59 .0013 .0025 .0011 .0002 -.0003 -.0001
	Ca2 .1335 .1645 .1684 .84 .0028 .0030 .0014 .0011 .0003 .0005
	Ca3 .1385 .6537 .1707 .59 .0020 .0022 .0010 .0007 .0000 .0001
	Si1 .2118 .2170 .8841 .52 .0022 .0015 .0008 .0004 .0000 .0004
	Si2 .2118 .6389 .8843 .52 .0019 .0017 .0008 .0005 .0000 .0000
	Si3 .3182 .9547 .0281 .49 .0013 .0021 .0008 .0003 .0001 -.0001
	O1 .5 0 0 1.65 .0032 .0090 .0027 .0008 .0006 -.0003
	O2 .2190 .4303 .9211 1.21 .0061 .0042 .0014 .0020 -.0003 -.0001
	O3 .3512 .7179 .8096 .97 .0032 .0041 .0014 .0009 .0007 .0000
	O4 .3434 .2059 .8087 .96 .0032 .0039 .0014 .0002 .0000 .0004
	O5 .2297 .1116 .9860 1.00 .0041 .0048 .0012 .0021 .0000 .0004
	O6 .2294 .7538 .9858 1.07 .0045 .0047 .0011 .0003 .0002 -.0004
	O7 .0424 .6382 .8326 .92 .0015 .0040 .0019 .0007 -.0013 -.0002
	O8 .0463 .1339 .8370 .94 .0031 .0056 .0009 .0002 .0007 .0004
	O9 .2988 .9506 .1390 .49 .0028 .0024 .0002 .0002 -.0004 .0001
	OH10 .2977 .4481 .1347 1.32 .0025 .0069 .0023 .0010 -.0002 -.0003
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	Wollastonite-1A
	Ito T, Sadanaga R, Takeuchi Y, Tokonami M
	Proceedings of the Japan Academy 45 (1969) 913-918
	The existence of partial mirrors in wollastonite
	_database_code_amcsd 0015327
	7.94 7.32 7.07 90.03 95.37 103.43 P-1
	atom x y z
	Ca1 -.002 .2495 -.026
	Ca2 .700 -.075 .264
	Ca3 .698 .4245 .261
	Si1 .314 .043 .229
	Si2 .314 .614 .229
	Si3 .102 .2755 .442
	O1 .100 .275 .666
	O2 .076 .769 .693
	O3 .194 .062 .037
	O4 .194 .535 .037
	O5 .516 .129 .226
	O6 .520 .630 .233
	O7 .224 .120 .405
	O8 .224 .492 .405
	O9 .290 .8225 .260
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	Heyrovskyite
	Takeuchi Y, Takagi J
	Proceedings of the Japan Academy 50 (1974) 76-79
	The structure of heyrovskyite (6PbS*Bi2S3)
	Locality: Yakuki mine, Fukushima Prefecture, Japan
	_database_code_amcsd 0015328
	13.712 31.210 4.131 90 90 90 Bbmm
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	PbM1 .4174 .25 0 .00434 .00129 .06183 0 0 0
	PbM2 0 0 .5 .00295 .00047 .02916 .00001 0 0
	PbM3 .2290 .0583 0 .00284 .00055 .03135 .00004 0 0
	PbM4 .1815 .1750 .5 .5 .00416 .00059 .03868 -.00003 0 0
	BiM4 .1815 .1750 .5 .5 .00416 .00059 .03868 -.00003 0 0
	PbM5 .4564 .1199 .5 .5 .00288 .00047 .02974 -.00002 0 0
	BiM5 .4564 .1199 .5 .5 .00288 .00047 .02974 -.00002 0 0
	S1 .0463 .1955 0 .00407 .00056 .03340 .00007 0 0
	S2 .0847 .0863 .5 .00339 .00061 .03238 .00008 0 0
	S3 .2772 .25 .5 .00447 .00040 .03091 0 0 0
	S4 .3299 .1470 0 .00396 .00080 .03619 .00047 0 0
	S5 .3598 .0269 .5 .00345 .00052 .02564 .00011 0 0
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	Periclase
	Sasaki S, Fujino K, Takeuchi Y
	Proceedings of the Japan Academy 55 (1979) 43-48
	X-Ray determination of electron-density distributions in oxides, MgO,
	MnO, CoO, and NiO, and atomic scattering factors of their
	constituent atoms
	_cod_database_code 1000053
	_database_code_amcsd 0015329
	4.217 4.217 4.217 90 90 90 Fm3m
	atom x y z
	Mg 0 0 0
	O .5 .5 .5
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