|
Althausite |
 |
Romming C, Raade G |
 |
American Mineralogist 65 (1980) 488-498 |
|
The crystal structure of althausite, Mg4(PO4)2(OH,O)(F, ) |
|
_database_code_amcsd 0000784 |
|
8.258 6.054 14.383 90 90 90 Pnma |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg1 .13402 .00414 .16858 0.0067 0.0049 0.0085 0.0009 0.0004 0.0009 |
|
Mg2 .34763 .25 .42143 0.0054 0.0066 0.0111 0 0.0021 0 |
|
Mg3 .07712 .25 .57505 0.0068 0.0063 0.0075 0 -.0007 0 |
|
P1 .48845 .25 .14583 0.0037 0.0041 0.0048 0 -.0001 0 |
|
P2 .22456 .25 .84820 0.0043 0.0045 0.0055 0 0.0004 0 |
|
O11 .38234 .04123 .14137 0.0061 0.0069 0.0112 -.0013 0.0006 -.0006 |
|
O12 .60739 .25 .06273 0.0064 0.0112 0.0072 0 0.0012 0 |
|
O13 .59147 .25 .23554 0.0102 0.0080 0.0065 0 -.0029 0.0016 |
|
O21 .11583 .04268 .85336 0.0068 0.0071 0.0120 -.0016 -.0004 0.0000 |
|
O22 .32077 .25 .75588 0.0108 0.0076 0.0076 0 0.0035 0 |
|
O23 .34092 .25 .93021 0.0068 0.0187 0.0085 0 -.0028 0 |
|
F .33500 .25 .56627 .25 0.0064 0.0066 0.0057 0 -.0016 0 |
|
O .09124 .25 .07585 .19 0.0060 0.0082 0.0071 0 0.0008 0 |
|
Oh .09124 .25 .07585 .37 0.0060 0.0082 0.0071 0 0.0008 0 |
|
H .15400 .25 .03500 .37 1.6 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kamphaugite-(Y) |
|
Romming C, Kocharian A K, Raade G |
| |
European Journal of Mineralogy 5 (1993) 685-690 |
|
The crystal structure of kamphaugite-(Y) |
|
_database_code_amcsd 0006483 |
|
7.434 7.434 21.793 90 90 90 P4_12_12 |
|
atom x y z Uiso |
|
Y1 .99024 .76810 .56887 .0087 |
|
Ca1 .9975 .2618 .5633 .0074 |
|
C1 .6734 .5487 .5767 .013 |
|
C2 .3251 .9596 .5864 .009 |
|
OH1 .8126 .0108 .5357 .012 |
|
WatO2 .0146 .3030 .2776 .019 |
|
O11 .6910 .7035 .6021 .015 |
|
O12 .5441 .4521 .5873 .025 |
|
O13 .8047 .5036 .5387 .022 |
|
O21 .4672 .0420 .6029 .022 |
|
O22 .2867 .8083 .6096 .018 |
|
O23 .2109 .0255 .5468 .016 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
IMA2004-009 |
| |
Raade G, Romming C |
|
Zeitschrift fur Kristallographie 177 (1986) 15-26 |
|
The crystal structure of beta-Mg2PO4OH, |
|
a synthetic hydroxyl analogue of wagnerite |
|
Locality: synthetic |
|
_database_code_amcsd 0010961 |
|
9.656 12.859 12.069 90 108.49 90 P2_1/c |
|
atom x y z Biso |
|
Mg1 .5511 .0723 .9154 .42 |
|
Mg2 .4710 .0696 .6007 .50 |
|
Mg3 .0429 .1805 .9220 .48 |
|
Mg4 .9710 .1772 .6096 .51 |
|
Mg5 .1893 .0223 .1871 .51 |
|
Mg6 .7855 .0012 .3037 .56 |
|
Mg7 .3057 .2297 .3183 .46 |
|
Mg8 .7095 .2503 .1949 .54 |
|
P1 .1137 .0773 .4248 .26 |
|
P2 .8791 .0702 .0751 .32 |
|
P3 .3821 .1750 .0747 .29 |
|
P4 .6218 .1798 .4226 .28 |
|
O11 .1664 .1160 .3223 .77 |
|
O12 .2447 .0476 .5295 .78 |
|
O13 .9868 .0162 .6200 .70 |
|
O14 .0283 .1642 .4585 .46 |
|
O21 .7952 .0924 .1615 .72 |
|
O22 .7684 .0533 .9520 .70 |
|
O23 .0238 .0270 .8854 .51 |
|
O24 .9845 .1593 .0683 .48 |
|
O31 .3198 .1425 .1719 .28 |
|
O32 .2592 .2049 .9625 .42 |
|
O33 .4838 .2320 .6182 .59 |
|
O34 .4677 .0840 .0459 .67 |
|
O41 .6893 .1532 .3273 .25 |
|
O42 .7429 .2042 .5363 .36 |
|
O43 .5188 .2257 .8804 .66 |
|
O44 .5205 .0912 .4394 .71 |
|
Oh1 .4344 .0330 .7542 .60 |
|
Oh2 .6888 .0812 .7005 .70 |
|
Oh3 .1902 .1632 .7092 .67 |
|
Oh4 .9280 .2191 .7592 .53 |
|
H1 .453 -.027 .751 1.0 |
|
H2 .708 .078 .632 1.0 |
|
H3 .223 .167 .660 1.0 |
|
H4 .964 .286 .775 1.0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Holtedahlite |
|
Romming C, Raade G |
| |
Mineralogy and Petrology 40 (1989) 91-100 |
|
The crystal structure of natural and synthetic holtedahlite |
|
Locality: Tingelstadtjern serpentine-magnesium deposit, Modum, Norway |
|
_database_code_amcsd 0014621 |
|
11.203 11.203 4.977 90 90 120 P31m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg1 .67060 .14796 0 .011 .0061 .0108 .0105 .0015 .0005 -.0029 |
|
Mg2 .82494 .14560 .5032 .008 .0066 .0058 .0085 .0027 .0002 .0000 |
|
P1 0 0 .7273 .76 .006 .0039 .0039 .0102 .0019 0 0 |
|
C1 0 0 .615 .24 .007 .0039 .0039 .0102 .0019 0 0 |
|
P2 2/3 1/3 .4786 .005 .0046 .0046 .0055 .0023 0 0 |
|
P3 .66114 .66114 .0289 .005 .0038 .0038 .0061 .0022 -.0002 -.0002 |
|
O1 .1255 .1255 .6261 .015 .0097 .0097 .0217 .0056 .0033 .0033 |
|
O2 .7214 .2395 .3662 .010 .0094 .0086 .0086 .0057 -.0010 -.0014 |
|
O3 .7329 .7329 .2929 .010 .0092 .0092 .0089 .0062 -.0021 -.0021 |
|
O4 .8707 .2438 .8635 .009 .0061 .0094 .0085 .0022 -.0014 -.0014 |
|
O5 .5273 .5273 .0947 .010 .0060 .0060 .0159 .0014 -.003 -.0002 |
|
O6 2/3 1/3 .7986 .013 .0120 .0120 .0113 .006 0 0 |
|
OH1 .3713 .3713 .6918 .010 .0094 .0094 .0093 .0054 .0002 .0001 |
|
OH2 .2797 .2797 .1939 .010 .0094 .0094 .0082 .0051 -.0024 -.0023 |
|
OH3 0 0 .038 .76 .033 .0039 .0039 .0009 .0019 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Holtedahlite |
|
Romming C, Raade G |
| |
Mineralogy and Petrology 40 (1989) 91-100 |
|
The crystal structure of natural and synthetic holtedahlite |
|
Locality: synthetic |
|
_database_code_amcsd 0014622 |
|
11.186 11.186 4.977 90 90 120 P31m |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg1 .6705 .1461 0 .015 .0087 .0176 .0119 .0047 .0004 -.0044 |
|
Mg2 .8246 .1457 .5065 .008 .0073 .0051 .0080 .0027 -.0011 -.0007 |
|
P1 0 0 .7287 .006 .0048 .0048 .0081 .0024 0 0 |
|
P2 .6667 .3333 .4781 .006 .0051 .0051 .0051 .0025 0 0 |
|
P3 .6609 .6609 .0323 .005 .0042 .0042 .0050 .0019 .0002 .0001 |
|
O1 .1285 .1285 .6340 .013 .007 .007 .025 .004 .003 .003 |
|
O2 .7207 .2409 .3685 .011 .011 .009 .009 .007 .000 .000 |
|
O3 .7326 .7326 .2973 .010 .009 .009 .008 .005 -.005 -.005 |
|
O4 .8706 .2440 .8674 .009 .007 .009 .007 .002 -.001 .000 |
|
O5 .5280 .5280 .0981 .010 .006 .006 .015 .001 .000 .000 |
|
O6 .6667 .3333 .7893 .016 .019 .019 .004 .0095 0 0 |
|
Oh1 .3727 .3727 .6898 .009 .008 .008 .007 .002 .001 .001 |
|
Oh2 .2805 .2805 .1975 .013 .013 .013 .009 .008 -.001 -.001 |
|
OH3 0 0 .044 .036 .042 .042 .011 .021 0 0 |
|
H1 .438 .438 .632 .019 |
|
H2 .229 .229 .183 .019 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Phosphoellenbergerite |
|
Raade G, Romming C, Medenbach O |
| |
Mineralogy and Petrology 62 (1998) 89-101 |
|
Carbonate-substituted phosphoellenbergerite from Modum, Norway: description and |
|
crystal structure |
|
_database_code_amcsd 0014640 |
|
12.467 12.467 5.0437 90 90 120 P6_3mc |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg1 .42433 .07821 .2100 .010 .0103 .0100 .0092 .0046 .0004 .0007 |
|
Mg21 0 0 .4533 .62 .015 .0102 .0102 .0245 .0051 0 0 |
|
Mg22 0 0 .3403 .06 .015 .0071 .0071 .0295 .0036 0 0 |
|
P1 .3033 .1516 .6911 .80 .010 .0139 .0083 .0064 .0069 -.0004 -.0002 |
|
As1 .3033 .1516 .6911 .10 .010 .0139 .0083 .0064 .0069 -.0004 -.0002 |
|
P11 .326 .163 .697 .10 .011 |
|
P2 2/3 1/3 .9934 .62 .008 .0062 .0062 .0122 .0031 0 0 |
|
C2 2/3 1/3 .118 .38 .011 |
|
O1 .3787 .1894 .4215 .016 .029 .014 .010 .014 .006 .003 |
|
O2 .1635 .0818 .6493 .90 .027 .028 .024 .022 .014 -.006 -.003 |
|
OH2 .1635 .0818 .6493 .10 .027 .028 .024 .022 .014 -.006 -.003 |
|
O3 .3474 .0738 .8521 .014 .0192 .0123 .0100 .0104 -.0009 .0002 |
|
O4 .7942 .3971 .0965 .020 .0137 .0122 .0287 .0069 -.0063 -.0031 |
|
OH5 2/3 1/3 .683 .62 .029 .037 .037 .014 .018 0 0 |
|
O6 .9538 .4769 .5154 .010 .0098 .0114 .0104 .0049 .0019 .0009 |
|
H6 .903 .451 .603 .020 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Heneuite |
|
Romming C, Raade G |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1986 (1986) 351-359 |
|
The crystal structure of heneuite, CaMg5(CO3)(PO4)3(OH) |
|
Locality: Tingelstadtjern serpentine-magnesite deposit, Modum, Norway |
|
_database_code_amcsd 0014802 |
|
6.311 10.843 8.676 95.01 93.41 101.04 P-1 |
|
atom x y z Biso |
|
Ca -.12445 .93712 .68254 .69 |
|
Mg1 .31015 .89997 .03639 .53 |
|
Mg2 -.33605 .38387 .46753 .71 |
|
Mg3 .08968 .66893 .81954 .59 |
|
Mg4 -.41319 .81637 .35214 .56 |
|
Mg5 -.32745 .54772 .13837 .64 |
|
P1 .20109 .17103 .96819 .30 |
|
P2 -.21340 .39162 .84173 .37 |
|
P3 .36883 .92568 .66910 .34 |
|
O11 .36811 .08857 .0057 .67 |
|
O12 -.00998 .08788 .89017 .65 |
|
O13 .16308 .24043 .12442 .73 |
|
O14 .29914 .26207 .85071 .68 |
|
O21 .01371 .46715 .82241 .71 |
|
O22 -.34657 .48435 .91039 .68 |
|
O23 -.20487 .28914 .95206 .64 |
|
O24 -.32636 .33001 .68324 .74 |
|
O31 .56028 .03596 .73404 .63 |
|
O32 .23644 .86339 .79483 .64 |
|
O33 .46622 .82790 .57287 .74 |
|
O34 .21878 .99521 .57612 .72 |
|
Oh -.37365 .38441 .23803 .70 |
|
O1C -.15315 .77335 .47967 .88 |
|
O2C .02208 .63662 .58241 .81 |
|
O3C -.32222 .57651 .48806 1.63 |
|
C -.14906 .66203 .51487 .70 |
|
H -.4988 .3383 .2381 3.0 |
|
|
| 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.
