Laueite
	Moore P B
	American Mineralogist 50 (1965) 1884-1892
	The crystal structure of laueite, MnFe2(OH)2(PO4)2(H2O)6.2H2O
	_database_code_amcsd 0000140
	5.28 10.66 7.14 107.92 110.98 71.12 P-1
	atom x y z Biso
	Mn 0 0 0 1.75
	Fe1 0 1/2 0 .71
	Fe2 0 1/2 1/2 .68
	P .3460 .6700 .9279 .78
	O1 .2281 .1121 .9620 1.98
	O2 .2426 .0046 .3218 3.00
	O3 .1552 .5009 .2952 1.30
	O4 .1666 .6539 .0410 .90
	Wat5 .2618 .8016 .5076 2.55
	O6 .2717 .8188 .9057 1.34
	O7 .3444 .3673 .9501 1.02
	O8 .2976 .5800 .7122 .99
	O9 .2433 .3072 .5507 1.34
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	Phosphosiderite
	Moore P B
	American Mineralogist 51 (1966) 168-176
	The crystal structure of metastrengite and its relationship to strengite and
	phosphophyllite
	_database_code_amcsd 0000144
	5.30 9.77 8.73 90 90.60 90 P2_1/n
	atom x y z Biso
	Fe .0916 .8270 .1919 .59
	P -.0867 .1506 .1836 .70
	Wat1 .3874 .9494 .1799 2.83
	Wat2 .0871 .8730 .4275 1.60
	O3 .3324 .6814 .2383 1.29
	O4 -.1152 -.0066 .1708 1.17
	O5 -.2010 .7050 .2178 .86
	O6 .0939 .7873 -.0250 1.63
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	Flinkite
	Moore P B
	American Mineralogist 52 (1967) 1603-1613
	Crystal chemistry of the basic manganese arsenate minerals 1. The crystal
	structures of flinkite, Mn2Mn(OH)4(AsO4) and retzian, Mn2Y(OH)4(AsO4)
	_database_code_amcsd 0000160
	9.55 13.11 5.25 90 90 90 Pnma
	atom x y z Biso
	Mn1 0 0 0 1.26
	Mn2 .0205 .1319 .4875 1.41
	As .1542 .75 .0257 .47
	OH1 .1398 .0756 .1617 1.31
	O2 -.0916 .1474 .8361 .96
	OH3 -.0994 .0059 .2974 1.06
	O4 .0988 .75 .7067 1.00
	O5 .1705 .25 .5438 .98
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	Retzian
	Moore P B
	American Mineralogist 52 (1967) 1603-1613
	Crystal chemistry of the basic manganese arsenate minerals 1. The crystal
	structures of flinkite, Mn2Mn(OH)4(AsO4) and retzian, Mn2Y(OH)4(AsO4)
	_database_code_amcsd 0000161
	5.67 12.03 4.863 90 90 90 *Pban
	.25 .25 0
	atom x y z Biso
	Y .25 .25 0 .06
	As .75 .25 .5 .44
	Mn .25 .5548 0 .81
	O .5769 .3198 .3045 1.09
	OH .5783 .5770 .2010 1.08
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	Allactite
	Moore P B
	American Mineralogist 53 (1968) 733-741
	Crystal chemistry of the basic manganese arsenate minerals: II. The crystal
	structure of allactite
	_database_code_amcsd 0000169
	11.03 12.12 5.51 90 114.07 90 P2_1/a
	atom x y z Biso
	Mn1 0 0 0 1.30
	Mn2 .2101 .1801 -.0604 .95
	Mn3 -.0067 .4308 .7404 .82
	Mn4 -.0001 .2893 .2516 1.02
	As -.2079 .0794 .3262 .18
	OH1 .1152 .3065 .6733 1.07
	O2 -.1219 .5717 .8256 .56
	OH3 .0938 .1554 .1726 1.46
	O4 -.1660 .2017 .2525 1.47
	OH5 -.1153 .4373 .3116 1.36
	OH6 .1257 .6831 .1744 .92
	O7 -.1414 -.0187 .2131 .93
	O8 .3380 .4259 .6601 1.36
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	Forsterite
	Birle J D, Gibbs G V, Moore P B, Smith J V
	American Mineralogist 53 (1968) 807-824
	Crystal structures of natural olivines
	_database_code_amcsd 0000171
	4.762 10.225 5.994 90 90 90 Pbnm
	atom x y z occ Biso
	Mg1 0 0 0 .9 .33
	Fe1 0 0 0 .1 .33
	Mg2 .98975 .27743 .25 .9 .36
	Fe2 .98975 .27743 .25 .1 .36
	Si .42693 .09434 .25 .20
	O1 .76580 .09186 .25 .35
	O2 .22012 .44779 .25 .42
	O3 .27810 .16346 .03431 .41
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	Forsterite
	Birle J D, Gibbs G V, Moore P B, Smith J V
	American Mineralogist 53 (1968) 807-824
	Crystal structures of natural olivines
	Note: variety hyalosiderite
	_database_code_amcsd 0000172
	4.785 10.325 6.038 90 90 90 Pbnm
	atom x y z occ Biso
	Mg1 0 0 0 .535 .32
	Fe1 0 0 0 .456 .32
	Mn1 0 0 0 .006 .32
	Ca1 0 0 0 .002 .32
	Mg2 .98598 .27880 .25 .535 .37
	Fe2 .98598 .27880 .25 .456 .37
	Mn2 .98598 .27880 .25 .006 .37
	Ca2 .98598 .27880 .25 .002 .37
	Si .42843 .09587 .25 .19
	O1 .76566 .09430 .25 .40
	O2 .21642 .45084 .25 .56
	O3 .28264 .16370 .03435 .50
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	Fayalite
	Birle J D, Gibbs G V, Moore P B, Smith J V
	American Mineralogist 53 (1968) 807-824
	Crystal structures of natural olivines
	_database_code_amcsd 0000173
	4.816 10.469 6.099 90 90 90 Pbnm
	atom x y z occ Biso
	Fe1 0 0 0 .922 .41
	Mg1 0 0 0 .039 .41
	Mn1 0 0 0 .037 .41
	Ca1 0 0 0 .002 .41
	Fe2 .98608 .28004 .25 .922 .36
	Mg2 .98608 .28004 .25 .039 .36
	Mn2 .98608 .28004 .25 .037 .36
	Ca2 .98608 .28004 .25 .002 .36
	Si .43070 .09723 .25 .27
	O1 .76683 .09197 .25 .43
	O2 .21027 .45308 .25 .48
	O3 .28806 .16532 .03626 .52
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	Fayalite
	Birle J D, Gibbs G V, Moore P B, Smith J V
	American Mineralogist 53 (1968) 807-824
	Crystal structures of natural olivines
	Note: variety hortonolite
	_database_code_amcsd 0000174
	4.787 10.341 6.044 90 90 90 Pbnm
	atom x y z occ Biso
	Mg1 0 0 0 .49 .36
	Fe1 0 0 0 .49 .36
	Mn1 0 0 0 .01 .36
	Ca1 0 0 0 .01 .36
	Mg2 .98678 .27915 .25 .49 .47
	Fe2 .98678 .27915 .25 .49 .47
	Mn2 .98678 .27915 .25 .01 .47
	Ca2 .98678 .27915 .25 .01 .47
	Si .42870 .09576 .25 .18
	O1 .76844 .09173 .25 .28
	O2 .21419 .44958 .25 .18
	O3 .28401 .16395 .03442 .37
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	Melanostibite
	Moore P B
	American Mineralogist 53 (1968) 1104-1109
	Substitutions of the type (Sb0.5Fe0.5)-(Ti): The crystal structure of
	melanostibite
	_database_code_amcsd 0000178
	5.226 5.226 14.325 90 90 120 R-3
	atom x y z occ Biso
	Mn 0 0 .1378 .50
	Fe 0 0 .3473 .5 .22
	Sb 0 0 .3473 .5 .22
	O .2873 -.0252 .2559 .59
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	Chlorophoenicite
	Moore P B
	American Mineralogist 53 (1968) 1110-1119
	The crystal structure of chlorophoenicite
	_database_code_amcsd 0000179
	22.98 3.32 7.32 90 106.0 90 C2/m
	atom x y z occ Biso
	Mn1 0 0 0 .87 .89
	Ca1 0 0 0 .10 .89
	Mg1 0 0 0 .03 .89
	Mn2 .0888 .5 .3656 .87 1.25
	Ca2 .0888 .5 .3656 .10 1.25
	Mg2 .0888 .5 .3656 .03 1.25
	Zn .2076 0 .2207 .96
	As .3823 0 .1047 .50 .51
	OH1 .0222 0 .3002 1.18
	O2 .0657 .5 .0430 1.33
	OH3 .1561 0 .3914 .93
	OH4 .2548 .5 .2587 1.31
	OH5 .4059 0 .3246 3.58
	O6 .3394 .5 .0471 1.41
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	Eveite
	Moore P B, Smyth J R
	American Mineralogist 53 (1968) 1841-1845
	Crystal chemistry of the basic manganese arsenates: III. The crystal structure
	of eveite, Mn2(OH)(AsO4)
	_database_code_amcsd 0000183
	8.57 8.77 6.27 90 90 90 Pnnm
	atom x y z Biso
	Mn1 0 0 .2464 0.98
	Mn2 .3571 .1348 .5 1.21
	As .2417 .2568 0 .33
	OH1 .3859 .3722 .5 .46
	O2 .4158 .3574 0 .66
	O3 .1079 .3927 0 1.65
	O4 .2204 .1464 .2205 .91
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	Sapphirine
	Moore P B
	American Mineralogist 54 (1969) 31-49
	The crystal structure of sapphirine
	_database_code_amcsd 0000187
	11.266 14.401 9.929 90 125.46 90 P2_1/a
	atom x y z occ Biso
	Al1 .0078 .1584 .1375 .27
	Al2 -.0089 .1560 .6136 .40
	Al3 -.0043 .0567 .3726 .50 .20
	Mg3 -.0043 .0567 .3726 .50 .20
	Mg4 -.0013 .0567 .8728 .38
	Mg5 .0081 .3667 .1425 .31
	Mg6 -.0084 .3649 .6079 .26
	Al7 0 .2569 .8754 .33
	Al8 .2510 .2496 .8755 .33
	Al1 .1963 .5559 .2442 .42
	Si2 .2018 .5536 .7552 .75 .44
	Al2 .2018 .5536 .7552 .25 .44
	Al3 .2026 .4502 .5072 .50 .20
	Si3 .2026 .4502 .5072 .50 .20
	Al4 .1993 .4420 .0051 .75 .19
	Si4 .1993 .4420 .0051 .25 .19
	Al5 .1878 .7552 .7553 .21
	Al6 .1872 .2458 .5041 .20
	O1 .1205 .2556 .1174 .26
	O2 .1281 .2524 .6315 .54
	O3 .1170 .0555 .1244 .39
	O4 .1091 .0533 .6176 .54
	O5 .1146 .1547 .3658 .49
	O6 .1052 .1667 .8467 .58
	O7 .1124 -.0540 .3754 .72
	O8 .1114 -.0611 .8692 .55
	O9 .3726 .2503 .1123 .35
	O10 .3771 .2472 .6261 .64
	O11 .3596 .0389 .1255 .54
	O12 .3696 .0408 .6287 .60
	O13 .3898 .3425 .3866 .63
	O14 .3943 .3320 .9009 .23
	O15 .3620 .1486 .3507 .36
	O16 .3736 .1568 .8751 .53
	O17 .1415 .4556 .1246 .35
	O18 .1482 .4618 .6330 .42
	O19 .1332 .3500 .3961 .62
	O20 .1244 .3449 .8697 .28
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	Gageite
	Moore P B
	American Mineralogist 54 (1969) 1005-1017
	A novel octahedral framework structure: gageite
	_database_code_amcsd 0000192
	13.79 13.68 3.279 90 90 90 Pnnm
	atom x y z occ Biso
	Mg1 0 0 .5 .83 .42
	Mn1 0 0 .5 .17 .42
	Mg2 .3382 .3847 .5 .59 .81
	Mn2 .3382 .3847 .5 .41 .81
	Mn3 .4227 .1520 0 1.16
	Mn4 .1013 .4493 0 .79
	Si1 .2111 .0974 .5 .5 .32
	Si2 .0684 .1952 0 .5 .17
	O1 .5 0 0 1.52
	OH2 .3316 .0940 .5 1.57
	OH3 .3411 .2860 0 .75
	OH4 .4901 .4029 .5 .5 1.50
	OH5 .3505 .4895 0 1.27
	OH6 .1879 .3904 .5 .77
	OH7 .0176 .3060 0 .5 1.28
	O8 .1556 .1799 .323 .5 .29
	O9 .1928 .1475 .024 .5 1.30
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	Dufrenite
	Moore P B
	American Mineralogist 55 (1970) 135-169
	Crystal chemistry of the basic iron phosphates
	_database_code_amcsd 0000197
	25.84 5.126 13.78 90 111.20 90 C2/c
	atom x y z Biso
	Fe1 0 0 0 1.15
	Fe2 .25 .25 0 1.25
	Fe3 .1529 -.0150 .1116 1.01
	Fe4 .1401 -.2220 .3545 1.18
	P1 .2185 .2612 .3312 1.20
	P2 .0790 .2808 .3970 1.38
	Ca 0 -.1474 .25 1.78
	O1 .0887 .0660 .3293 1.14
	O2 .0769 .5468 .3422 1.77
	O3 .0193 .2255 .4030 1.85
	O4 .1224 .2896 .5055 1.60
	OH5 .1727 .2183 .0170 1.58
	O6 .2134 .0108 .3878 1.47
	O7 .2029 -.5144 .3907 2.13
	OH8 .1289 -.2574 .2046 1.85
	O9 .1766 .2529 .2203 1.75
	O10 .2223 -.2034 .1670 1.62
	OH11 .0769 .1439 .0645 2.07
	OH12 .0243 -.2853 .1119 2.25
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	Rockbridgeite
	Moore P B
	American Mineralogist 55 (1970) 135-169
	Crystal chemistry of the basic iron phosphates
	_database_code_amcsd 0000198
	13.783 16.805 5.172 90 90 90 Bbmm
	atom x y z occ Biso
	Fe1 0 0 0 .10
	Fe2 .0687 .1574 0 1.64
	Fe3 .3214 .1385 .2385 .5 .10
	P1 .1420 .0432 .5 .08
	P2 .4806 .25 0 .76
	O1 .0477 .25 .2508 2.38
	O2 .0829 .0605 .2615 .56
	OH3 .3132 .25 .3876 .5 .81
	O4 .3126 .0357 0 1.86
	OH5 .2175 .1720 0 .75
	OH6 .4204 .1071 .5 .31
	O7 .4171 .1763 0 .91
	O8 .2276 .1044 .5 .10
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	Leucophoenicite
	Moore P B
	American Mineralogist 55 (1970) 1146-1166
	Edge-sharing silicate tetrahedra in the crystal structure of leucophoenicite
	_database_code_amcsd 0000206
	10.842 4.826 11.324 90 103.93 90 P2_1/a
	atom x y z occ Biso
	Mn1 0 0 0 .73
	Mn2 .3149 .0150 .1396 .80
	Mn3 .3308 .4942 .4110 .69
	Mn4 .0781 -.0105 .2967 .80
	Si1 .0246 .4144 .4381 .5 .47
	Si2 .1287 .5731 .1439 .32
	O1 .4907 -.2135 .1458 .48
	O2 .3345 .2137 -.0265 .73
	O3 .2289 -.2879 .2614 .76
	O4 .4207 .2348 .3058 .5 1.26
	OH4 .4207 .2348 .3058 .5 1.26
	O5 .1736 .2626 .4391 .5 .90
	OH5 .1736 .2626 .4391 .5 .90
	O6 .1290 .2390 .1450 .79
	O7 .5254 .7708 .4379 1.19
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	Manganostibite
	Moore P B
	American Mineralogist 55 (1970) 1489-1499
	Manganostibite: A novel cubic close-packed structure type
	_database_code_amcsd 0000210
	8.727 18.847 6.062 90 90 90 Ibmm
	atom x y z Biso
	Sb .25 .25 .25 .32
	As .3678 0 .75 .50
	Mn1 .3817 .1746 .75 .39
	Mn2 0 0 0 .46
	Mn3 0 .1575 0 .50
	Mn4 .2794 .0821 .25 .66
	O1 .0228 .0755 .25 .57
	O2 .0236 .2400 .25 .47
	O3 -.0265 .4280 .25 .45
	O4 .2589 0 -.0193 .60
	O5 .2538 .1728 .0268 .30
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	Synadelphite
	Moore P B
	American Mineralogist 55 (1970) 2023-2037
	Crystal chemistry of the basic manganese arsenates: IV. Mixed arsenic valences
	in the crystal structure of synadelphite
	_database_code_amcsd 0000217
	10.754 18.865 9.884 90 90 90 Pnma
	atom x y z Biso
	Mn1 .2941 .75 .3868 .88
	Mn2 .5613 .6635 .3729 .85
	Mn3 .8269 .5863 .3614 .82
	Mn4 .0887 .5039 .3627 .93
	Mn5 .3564 .4225 .3575 1.05
	As1 .9672 .75 .3618 .12
	As2 .3225 .5811 .5654 .12
	O1 .1151 .75 .2854 .99
	OH2 .4748 .75 .4832 1.33
	O3 .2401 .6535 .5163 1.33
	O4 .4018 .6818 .2373 1.32
	O5 .4714 .5867 .5176 1.10
	OH6 .6630 .5927 .2420 .72
	OH7 .7158 .6491 .4997 .97
	O8 .7417 .4940 .4987 .88
	OH9 .9293 .5115 .2381 .77
	OH10 .9757 .5726 .4980 1.11
	O11 .1838 .4225 .2349 .83
	Wat12 .4170 .3306 .2232 2.00
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	Kryzhanovskite
	Moore P B
	American Mineralogist 56 (1971) 1-17
	The Fe3(H2O)n(PO4)2 homologous series: Crystal-chemical relationships and
	oxidized equivalents
	_database_code_amcsd 0000219
	9.404 9.973 8.536 90 90 90 Pbna
	atom x y z Biso
	Fe1 0 0 0 .61
	Fe2 .4480 -.1115 .1367 .86
	P .7097 .1032 .2106 .42
	OH1 .4314 .25 0 1.70
	O2 .2141 .2532 .3273 .76
	O3 .1114 .0336 .4092 .95
	O4 .1573 .0839 .1142 .90
	O5 .3581 .0446 .3027 .89
	OH6 .4700 .3385 .3631 1.21
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	Seamanite
	Moore P B, Ghose S
	American Mineralogist 56 (1971) 1527-1538
	A novel face-sharing octahedral trimer in the crystal structure of seamanite
	_database_code_amcsd 0000258
	7.811 15.114 6.691 90 90 90 Pbnm
	atom x y z Biso
	Mn1 .2783 .4758 .25 .53
	Mn2 .3507 .6406 .5016 .58
	P .6931 .5542 .25 .30
	B .0072 .3146 .25 .63
	OH1 .4615 .3688 .25 .91
	OH2 .1862 .6165 .25 .80
	OH3 .0399 .4099 .25 1.01
	OH4 -.1846 .3027 .25 .69
	OH5 .0810 .2739 .0742 1.12
	O6 .7246 .4961 .0648 .91
	O7 .5042 .5845 .25 .90
	O8 .8112 .6340 .25 .96
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	Arsenoclasite
	Moore P B, Molin-Case J
	American Mineralogist 56 (1971) 1539-1552
	Crystal chemistry of the basic manganese arsenates: V. Mixed manganese
	coordination in the atomic arrangement of arsenoclasite
	_database_code_amcsd 0000259
	18.29 5.75 9.31 90 90 90 P2_12_12_1
	atom x y z Biso
	Mn1 .4323 .2697 .7522 .65
	Mn2 .0303 .0544 .8886 .61
	Mn3 .2214 .0712 .8582 .59
	Mn4 .1241 .5587 .8796 .76
	Mn5 .3164 .5804 .0009 .71
	As1 .3744 .1117 .0719 .08
	As2 .1243 .1928 .1838 .01
	OH1 .0519 .7350 .0215 .98
	OH2 .2025 .3844 .7397 .96
	OH3 .0412 .3676 .7569 .90
	OH4 .2171 .7461 -.0282 .90
	O5 .1461 .4441 .2643 .62
	O6 .1279 .2324 .0012 1.04
	O7 .1762 -.0277 .2332 .87
	O8 .0380 .0980 .2282 1.00
	O9 .3755 .1103 .2508 .95
	O10 .2934 .2187 .0206 .69
	O11 .4342 .3007 -.0004 .87
	O12 .3916 .8448 .0155 1.07
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	Alluaudite
	Moore P B
	American Mineralogist 56 (1971) 1955-1975
	Crystal chemistry of the alluaudite structure type: Contribution to the
	paragenesis of pegmatite phosphate giant crystals
	_database_code_amcsd 0000266
	12.004 12.533 6.404 90 114.4 90 C2/c
	atom x y z occ Biso
	Na1x .5 0 0 .625 1.59
	Mn1x .5 0 0 .175 1.59
	Ca1x .5 0 0 .125 1.59
	Mn1m 0 .2599 .25 .950 .60
	Mg1m 0 .2599 .25 .025 .60
	Li1m 0 .2599 .25 .025 .60
	Fe2m .2812 .6525 .3713 .988 .50
	Mg2m .2812 .6525 .3713 .012 .50
	P1 0 -.2855 .25 .59
	P2 .2424 -.1089 .1325 .69
	O1 .4533 .7152 .5342 .75
	O2 .0988 .6375 .2401 1.22
	O3 .3272 .6633 .1020 1.02
	O4 .1213 .3974 .3119 1.41
	O5 .2251 .8220 .3172 .92
	O6 .3102 .5021 .3735 1.34
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	Sarcopside
	Moore P B
	American Mineralogist 57 (1972) 24-35
	Sarcopside: Its atomic arrangement
	_database_code_amcsd 0000268
	10.437 4.768 6.026 90 90.00 90 P2_1/a
	atom x y z occ Biso
	Fe1 0 0 0 .78 .58
	Mn1 0 0 0 .21 .58
	Mg1 0 0 0 .01 .58
	Fe2 .2830 -.0134 .2639 .78 .57
	Mn2 .2830 -.0134 .2639 .21 .57
	Mg2 .2830 -.0134 .2639 .01 .57
	P .1000 .4341 .2386 .53
	O1 -.1042 .2510 -.2159 .71
	O2 -.0358 .3147 .2463 .76
	O3 .1620 .2838 .0291 .78
	O4 .1822 .3241 .4296 .69
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	Leucophosphite
	Moore P B
	American Mineralogist 57 (1972) 397-410
	Octahedral tetramer in the crystal structure of leucophosphite,
	K2[Fe4(OH)2(H2O)2(PO4)4].2H2O
	_database_code_amcsd 0000274
	9.782 9.658 9.751 90 102.24 90 P2_1/n
	atom x y z Biso
	K .1010 .1958 .5171 1.88
	Fe1 .3695 .5512 .3919 .26
	Fe2 .3097 .2278 .5969 .28
	P1 .3548 .5285 .7094 .42
	P2 .1287 .3221 .2894 .43
	O1 .3009 .5935 .5632 .69
	O2 .1753 .1207 .6744 .74
	O3 .4845 .4929 .2609 .68
	O4 .2838 .3864 .7162 .77
	O5 .1553 .2687 .4399 .95
	O6 .1952 .4679 .2854 .69
	O7 .3050 .7275 .3054 .88
	O8 .4710 .1623 .7351 .85
	OH9 .4386 .3568 .4966 .55
	Wat10 .3432 .0464 .4891 1.53
	Wat11 .5335 .1531 .3100 1.81
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	Natrophilite
	Moore P B
	American Mineralogist 57 (1972) 1333-1344
	Natrophilite, NaMn(PO4), has ordered cations
	_database_code_amcsd 0000292
	10.523 4.987 6.312 90 90 90 Pnam
	atom x y z occ Biso
	Na1 0 0 0 1.18
	Mn2 .28469 -.0065 .25 .93 .55
	Fe2 .28469 -.0065 .25 .07 .55
	P .1068 .4400 .25 .47
	O1 .1131 .7471 .25 .74
	O2 .4687 .1605 .25 .74
	O3 .1755 .3114 .0568 .74
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	Merwinite
	Moore P B, Araki T
	American Mineralogist 57 (1972) 1355-1374
	Atomic arrangement of merwinite, Ca3Mg[SiO4]2, an unusual dense-packed
	structure of geophysical interest
	_database_code_amcsd 0000294
	13.254 5.293 9.328 90 91.90 90 P2_1/a
	atom x y z Biso
	Ca1 .2563 .1789 .2234 .70
	Ca2 .0811 .2271 -.0753 .66
	Ca3 .0978 .7333 .4254 .73
	Mg .0043 .2566 .2535 .42
	Si1 .1326 .2293 .6008 .19
	Si2 .1412 .7280 .0931 .18
	O1 .0740 .2123 .4450 1.04
	O2 .0632 .4193 .6937 .96
	O3 .1253 -.0475 .6773 .76
	O4 .2414 .3618 .5940 .91
	O5 .0768 .7064 -.0591 .87
	O6 .2548 .8130 .0683 .82
	O7 .1266 .4726 .1853 .74
	O8 .0832 -.0424 .1751 .84
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	Hureaulite
	Moore P B, Araki T
	American Mineralogist 58 (1973) 302-307
	Hureaulite, Mn5(H2O)4[PO3(OH)]2[PO4]2: Its atomic arrangement
	_database_code_amcsd 0000314
	17.594 9.086 9.404 90 96.67 90 C2/c
	atom x y z Biso
	Mn1 0 .10238 .75 .69
	Mn2 .31696 .08821 -.31470 .67
	Mn3 .17453 -.02833 -.13408 .74
	P1 .41723 .32038 -.09009 .66
	P2 .16098 .26066 -.37176 .60
	O1 .3455 .2278 -.1338 1.13
	OH2 .4884 .2150 -.0796 1.24
	O3 .4231 .4331 -.2072 1.11
	O4 .4156 .3915 .0558 1.05
	O5 .1638 .2357 -.5331 1.00
	O6 .0760 .2655 -.3407 .96
	O7 .2019 .4040 -.3257 1.01
	O8 .2024 .1326 -.2885 .93
	OH9 .4213 -.0081 -.3463 1.70
	OH10 .2599 .0796 .0310 1.09
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	Roweite
	Moore P B, Araki T
	American Mineralogist 59 (1974) 60-65
	Roweite, Ca2Mn2(OH)4[B4O7(OH)2]: Its atomic arrangement
	_database_code_amcsd 0000393
	9.057 13.357 8.289 90 90 90 Pbam
	atom x y z Biso
	Ca .2333 .1317 .2445 0.87
	Mn1 0 0 0 1.03
	Mn2 .5 0 0 1.30
	Mn3 .4803 .2468 0 1.04
	B1 .2097 .3003 .5 1.14
	B2 .2331 .4753 .5 .57
	B3 .3717 .3793 .2929 .74
	OH1 .1143 .2091 .5 1.39
	OH2 .1611 .5719 .5 .87
	O3 .1287 .3911 .5 .68
	O4 .3092 .2924 .3550 1.33
	O5 .3287 .4695 .3533 1.16
	O6 .4724 .3740 .1695 .87
	OH7 .2383 .0215 0 1.06
	OH8 .2290 .2373 0 1.25
	OH9 .4862 .1229 .1642 1.14
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	Ferrowyllieite
	Moore P B, Molin-Case J
	American Mineralogist 59 (1974) 280-290
	Contribution to pegmatite phosphate giant crystal paragenesis: II. The crystal
	chemistry of wyllieite, Na2Fe2Al[PO4]3, a primary phase
	_database_code_amcsd 0000397
	11.868 12.382 6.354 90 114.52 90 P2_1/n
	atom x y z occ Biso
	Na1a .5 0 0 .91 1.20
	Ca1b .4903 .0013 .5045 .25 .16
	Mn1b .4903 .0013 .5045 .25 .16
	Na2 -.0004 -.0218 .2485 .70 1.20
	Fe1 -.0005 .2638 .2366 .75 .78
	Mg1 -.0005 .2638 .2366 .25 .78
	Fe2a .2726 -.3516 .3626 1.09
	Al2b .2187 -.1664 .6434 .75 .60
	Fe2b .2187 -.1664 .6434 .25 .60
	P1 -.0072 -.2854 .2592 .65
	P2a .2381 -.1143 .1457 .73
	P2b .2376 .0971 .6175 .81
	O1a .4531 -.2889 .5509 1.07
	O1b .4498 -.7170 .0167 .98
	O2a .0820 -.3737 .2429 1.27
	O2b .1104 -.6490 .7199 1.43
	O3a .3432 -.3470 .1114 1.30
	O3b .3189 -.6733 .5866 1.31
	O4a .1219 .4020 .2807 1.10
	O4b .1288 -.4148 .8536 1.36
	O5a .2216 -.1840 .3288 1.20
	O5b .2380 -.8336 .8177 1.31
	O6a .3310 -.5083 .3837 1.54
	O6b .3226 -.5127 .8839 1.64
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	Bjarebyite
	Moore P B, Araki T
	American Mineralogist 59 (1974) 567-572
	Bjarebyite, Ba(Mn,Fe)2Al2(OH)3[PO4]3: Its atomic arrangement
	_database_code_amcsd 0000407
	8.930 12.073 4.917 90 100.15 90 P2_1/m
	atom x y z occ Biso
	Ba .5476 .75 .7420 .9 .69
	Sr .5476 .75 .7420 .1 .69
	Mn .2963 -.1089 .2048 .45 .66
	Fe .2963 -.1089 .2048 .45 .66
	Mg .2963 -.1089 .2048 .10 .66
	Al .0899 .4003 .1275 .61
	P1 .1563 .75 .6853 .61
	P2 .3312 .4409 .7034 .63
	O1 .2804 .75 .9422 .89
	O2 .2290 .75 .4298 .75
	O3 .0602 .6454 .6888 .91
	O4 .3694 .5557 .6153 .97
	O5 .2561 .4495 .9652 .92
	O6 .2251 .3822 .4657 .99
	O7 .4705 .3688 .7859 .92
	OH8 .1220 .25 .0066 .81
	OH9 .0572 .5567 .1905 .77
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	Montgomeryite
	Moore P B, Araki T
	American Mineralogist 59 (1974) 843-850
	Montgomeryite, Ca4Mg(H2O)12[Al4(OH)4(PO4)6]:. Its crystal structure and
	relation to Vauxite, Fe2(H2O)4[Al4(OH)4(H2O)4(PO4)4].4H2O
	_database_code_amcsd 0000410
	10.023 24.121 6.243 90 91.55 90 C2/c
	atom x y z occ Biso
	Ca1 0 .06115 .25 1.35
	Ca2 0 .33098 .25 1.03
	Mg 0 .4708 .25 .5 .75
	Al1 .25 .25 0 .79
	Al2 0 .17151 -.25 .84
	P1 .5 .29944 -.25 .74
	P2 .2582 .11548 -.0405 .87
	O1 .6172 .2604 .7072 1.13
	O2 .4693 .3366 .5548 1.12
	O3 .3096 .1749 .0120 1.06
	O4 .3754 .0872 -.1497 1.24
	O5 .1362 .1178 -.2009 1.24
	O6 .2184 .0856 .1620 1.69
	OH .3712 .2715 .2189 .88
	Wat1 .1614 .3301 .5292 2.11
	Wat2 .1122 .0261 .5826 1.59
	Wat3 .1188 .4731 .5723 3.69
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	Whitmoreite
	Moore P B, Kampf A R, Irving A J
	American Mineralogist 59 (1974) 900-905
	Whitmoreite, FeFe2(OH)2(H2O)4[PO4]2, a new species: Its description and atomic
	arrangement
	_database_code_amcsd 0000411
	10.00 9.73 5.471 90 93.8 90 P2_1/c
	atom x y z occ Biso
	Fe1 0 0 0 .59 1.9
	Mn1 0 0 0 .27 1.9
	Fe2 .4603 .1373 .341 2.7
	P .3027 .4256 .325 .7
	O1 .393 .477 .124 1.6
	O2 .359 .481 .579 2.1
	O3 .158 .482 .275 2.5
	O4 .304 .262 .317 2.9
	OH .556 .235 .076 1.6
	Wat1 .134 -.102 .298 3.1
	Wat2 .047 .183 .188 3.3
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	Jahnsite-(CaMnMg)
	Moore P B, Araki T
	American Mineralogist 59 (1974) 964-973
	Jahnsite, CaMnMg2(H2O)8Fe2(OH)2[PO4]4: A novel stereoisomerism of
	ligands about octahedral corner-chains
	Locality: Tip Top mine, Custer Country, South Dakota, USA
	_database_code_amcsd 0000414
	14.94 7.14 9.93 90 110.16 90 P2/a
	atom x y z Biso
	Ca .25 -.0249 0 1.69
	Mn .25 .4775 0 1.12
	Mg1 .5 0 .5 1.21
	Mg2 .25 .4963 .5 0.96
	Fe1 0 0 0 1.58
	Fe2 0 .5 0 1.70
	P1 .1830 .2615 .1881 .92
	P2 .0813 .7476 .7978 .87
	O1 .2758 .2345 .1512 1.83
	O2 .2041 .2956 .3462 1.65
	O3 .1229 .0827 .1399 1.57
	O4 .1369 .4352 .0941 1.15
	O5 .1890 .6984 .8553 1.52
	O6 .0497 .7802 .6381 1.47
	O7 .0747 .9293 .8791 1.29
	O8 .0245 .5881 .8314 1.29
	OH .0256 .7509 .0935 1.06
	Wat1 .2231 .7185 .3445 2.09
	Wat2 .4497 .2130 .3452 2.37
	Wat3 .6307 -.0066 .4629 2.18
	Wat4 .3917 .5131 .5115 1.72
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	Trolleite
	Moore P B, Araki T
	American Mineralogist 59 (1974) 974-984
	Trolleite, Al4(OH)3[PO4]3: A very dense structure with octahedral
	face-sharing dimers
	_database_code_amcsd 0000415
	18.894 7.161 7.162 90 99.99 90 I2/c
	atom x y z Biso
	Al1 .16778 -.00654 .32059 .38
	Al2 .07570 .27118 .41714 .43
	P1 0 .88269 .25 .35
	P2 .16844 .36728 .08109 .36
	O1 .06458 .01173 .32611 .60
	O2 .02064 .76272 .09579 .74
	O3 .23738 .46488 .16861 .73
	O4 .11114 .50844 .00803 .73
	O5 .14191 .24551 .23708 .56
	O6 .18216 .23516 -.07554 .75
	Oh1 0 .36428 .25 .62
	Oh2 .16141 .87900 .06966 .53
	H1 0 .484 .25
	H2 .190 .809 .072
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	Pinakiolite
	Moore P B, Araki T
	American Mineralogist 59 (1974) 985-1004
	Pinakiolite, Mg2MnO2[BO3]; warwickite, Mg(Mg0.5Ti0.5)O[BO3]; wightmanite,
	Mg5(O)(OH)5[BO3].nH2O: Crystal chemistry of complex 3 Angstrom wallpaper
	structures
	Locality: Langban, Sweden
	_database_code_amcsd 0000416
	21.79 5.977 5.341 90 95.83 90 C2/m
	atom x y z occ Biso
	Mn1 .5 .5 0 .73
	Mn2 .5 .5 .5 .70
	Mn3 .2503 0 .4993 .57
	Mg1 .5 0 0 .83 1.95
	Mg2 .5 0 .5 .77 2.06
	Mg3 .25 .25 0 .84 .60
	Mn3 .25 .25 0 .16 .60
	Mg4 .3869 .2497 .7072 .99 .64
	Fe4 .3869 .2497 .7072 .01 .64
	B1 .1344 0 .8055 .57
	B2 .3692 0 .1986 .85
	O1 .3972 .5 -.0162 .73
	O2 .3959 .5 .4344 .65
	O3 .1908 0 .8332 .74
	O4 .4014 0 -.0166 1.02
	O5 .4002 0 .4397 .94
	O6 .3058 0 .1713 .89
	O7 .5138 .2755 .2556 .92
	O8 .2937 .2502 .6775 .76
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	Warwickite
	Moore P B, Araki T
	American Mineralogist 59 (1974) 985-1004
	Pinakiolite, Mg2MnO2[BO3]; warwickite, Mg(Mg0.5Ti0.5)O[BO3]; wightmanite,
	Mg5(O)(OH)5[BO3].nH2O: Crystal chemistry of complex 3 Angstrom wallpaper
	structures
	Locality: Warwick, Orange County, New York, USA
	_database_code_amcsd 0000417
	9.197 9.358 3.085 90 90 90 Pnam
	atom x y z occ Biso
	Mg1 .1149 .5695 .25 .62 .72
	Ti1 .1149 .5695 .25 .38 .72
	Mg2 .1032 .1899 .25 .96 .44
	Ti2 .1032 .1899 .25 .04 .44
	B .1673 .8753 .25 .66
	O1 .0206 .8653 .25 1.07
	O2 .2488 .7507 .25 1.01
	O3 .2353 .0074 .25 .84
	O4 .0118 .3842 .25 .87
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	Stewartite
	Moore P B, Araki T
	American Mineralogist 59 (1974) 1272-1276
	Stewartite, MnFe2(OH)2(H2O)6[PO4]2.2H2O: Its atomic arrangement
	_database_code_amcsd 0000432
	10.398 10.672 7.223 90.10 109.10 71.83 P-1
	atom x y z Biso
	Mn .27273 .48931 .64620 1.22
	Fe1 0 0 0 .73
	Fe2 .5 0 0 .78
	Fe3 .24996 .99745 .50902 .62
	P1 .90510 .18642 .3397 .60
	P2 .45901 .17736 .5960 .60
	O1 .0588 .1258 .4888 .92
	O2 .8870 .1210 .1445 .96
	O3 .8698 .3356 .2941 1.05
	O4 .8002 .1617 .4336 .91
	O5 .3118 .1579 .4947 .80
	O6 .4372 .3260 .6072 1.14
	O7 .5545 .1265 .4695 .82
	O8 .5366 .1008 .8042 1.04
	OH1 .1798 .9910 .2156 1.01
	OH2 .3179 .0006 .8040 .99
	Wat1 .0176 .1606 .8587 1.41
	Wat2 .3893 .1750 .0894 1.66
	Wat3 .1427 .3641 .6592 2.12
	Wat4 .1516 .5428 .3282 1.81
	Wat5 .4115 .6099 .6346 1.60
	Wat6 .3732 .4408 .9668 2.22
	Wat7 .0969 .3258 .1534 2.09
	Wat8 .2954 .6554 .1527 1.97
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	Fe3(H2O)[PO4]2
	Moore P B, Araki T
	American Mineralogist 60 (1975) 454-459
	The Fe3(H2O)n[PO4]2 homologous series. II. The crystal structure of
	Fe3(H2O)[PO4]2
	_database_code_amcsd 0000462
	9.431 10.066 8.040 90 117.6 90 P2_1/a
	atom x y z Biso
	Fe1 .0315 .1359 .4130 .82
	Fe2 .4386 .8771 .0749 .69
	Fe3 .2813 .1241 .2628 .61
	P1 .6740 .0873 .3786 .49
	P2 .1343 .8320 .0262 .55
	O1 .8035 .1876 .3950 .72
	O2 .7485 -.0292 .5172 .67
	O3 .5340 .1566 .4110 .78
	O4 .5993 .0308 .1747 .79
	O5 -.0188 .8713 -.1491 .84
	O6 .2533 .9497 .1113 .78
	O7 .0909 .7740 .1723 .91
	O8 .2342 .7328 -.0255 .81
	Wat .0715 .0825 .6840 .98
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	Palermoite
	Moore P B, Araki T
	American Mineralogist 60 (1975) 460-465
	Palermoite, SrLi2[Al4(OH)4(PO4)4]: Its atomic arrangement and relationship to
	carminite, Pb2[Fe4(OH)4(AsO4)4]
	_database_code_amcsd 0000463
	11.556 15.847 7.315 90 90 90 Imcb
	atom x y z Biso
	Sr .25 .5 .5 .80
	Li .5 .2851 .2723 2.20
	Al .1307 .3727 .1374 .56
	P .25 .2922 .5 .45
	O1 .1438 .2632 .0387 .75
	O2 .2257 .3515 .3389 .59
	P2 0 .4576 .7731 .50
	O3 0 .3993 .6107 .98
	O4 0 .4014 .9502 .76
	O5 .1083 .4857 .2275 .69
	OH1 0 .3363 .2606 .62
	OH2 .25 .4117 0 .87
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	Foggite
	Moore P B, Kampf A R, Araki T
	American Mineralogist 60 (1975) 965-971
	Foggite, Ca(H2O)2[CaAl2(OH)4(PO4)2]: Its atomic arrangement and
	relationship to calcium Tschermak's pyroxene
	_database_code_amcsd 0000473
	9.270 21.324 5.190 90 90 90 A2_122
	atom x y z occ Biso
	Ca1 0 .3614 0 .66
	Ca2 .25 .5 .0870 1.35
	Al1 0 .1945 0 .52
	Al2 0 .2622 .5 .49
	P .2143 .3833 .5702 .48
	O1 .3756 .3680 .6243 .71
	O2 .1255 .3233 .6339 .68
	O3 .1653 .4324 .7659 .76
	O4 .1881 .4040 .2922 .87
	OH1 .1067 .2015 .6844 .62
	OH2 -.0995 .2608 .8205 .57
	Wat1 .5 .4512 0 3.34
	Wat2 .4780 .4741 .2165 .5 1.26
	Wat3 .4617 .4793 .3513 .5 .93
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	Olmsteadite
	Moore P B, Araki T, Kampf A R, Steele I M
	American Mineralogist 61 (1976) 5-11
	Olmstaedite, K2Fe2[Fe2(Nb,Ta)2O4(H2O)4(PO4)4], a new species, its crystal
	structure and relation to vauxite and montgomeryite
	_database_code_amcsd 0000485
	7.512 10.000 6.492 90 90 90 Pb2_1m
	atom x y z occ Biso
	Nb .27254 .73837 0 .59 .44
	Ta .27254 .73837 0 .41 .44
	Fe .02061 0 .24183 .77
	K .53021 .97416 .5 2.56
	P1 .1832 .7412 .5 .61
	P2 .3253 .4149 0 .55
	O1 .0823 .8729 .5 .87
	O2 .0631 .6192 .5 1.79
	O3 .3059 .7376 .3090 1.23
	O4 .4180 .5547 0 .87
	O5 .4723 .3067 0 1.04
	O6 .2138 .3978 .1976 .91
	O7 .1575 .8999 0 1.16
	O8 .0735 .6317 0 1.34
	Wat .2524 .1117 .2720 2.52
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	Bredigite
	Moore P B, Araki T
	American Mineralogist 61 (1976) 74-87
	The crystal structure of bredigite and the genealogy of some alkaline earth
	orthosilicates
	_database_code_amcsd 0000494
	10.909 18.340 6.739 90 90 90 P2nn
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ca1 0 0 0 .707 .00488 .00123 .00502 0 0 .00068
	Ba 0 0 0 .293 .00488 .00123 .00502 0 0 .00068
	Ca2 .5016 0 0 .00537 .00064 .00518 0 0 -.00031
	Ca3 .2362 .2284 -.0003 .00147 .00049 .00412 .0004 -.00030 -.00027
	Ca4 .7728 .2272 .0056 .00181 .00100 .00527 .0001 -.00085 .00000
	Ca5 .2564 .4103 .1540 .88 .00272 .00110 .00650 -.00041 -.00021 .00093
	Mg3 .2564 .4103 .1540 .12 .00272 .00110 .00650 -.00041 -.00021 .00093
	Ca6 .7556 .4119 .1614 .00298 .00067 .00334 -.00073 -.00138 -.00074
	Ca7 .0081 .1722 .3310 .00308 .00092 .00584 -.00052 .0002 -.00040
	Ca8 .5061 .1654 .3008 .00213 .00162 .00550 -.0007 .0009 .00039
	Mg1 -.0003 .5 0 .64 .00124 .00059 .00456 0 0 .00030
	Mn1 -.0003 .5 0 .36 .00124 .00059 .00456 0 0 .00030
	Mg2 .5002 .5 0 .93 .00075 .00036 .00228 0 0 -.00007
	Mn2 .5002 .5 0 .07 .00075 .00036 .00228 0 0 -.00007
	Si1 .7542 .0811 .2188 1.0
	Si2 .2594 .0798 .2199 0.7
	Si3 .0037 .1649 -.2341 0.8
	Si4 .0043 .3364 .2831 0.8
	O1 .6388 .0259 .2695 2.4
	O2 .8681 .0495 .3444 1.5
	O3 .7196 .1605 .3054 1.1
	O4 .7885 .0883 -.0081 2.1
	O5 .1285 .0609 .3311 2.2
	O6 .3626 .0241 .2900 0.9
	O7 .2923 .1592 .3233 1.7
	O8 .2294 .0913 -.0103 1.1
	O9 -.1130 .1991 -.3463 4.6
	O10 .1249 .1985 -.3393 0.3
	O11 -.0042 .0796 -.2794 2.1
	O12 .0057 .1912 -.0110 2.2
	O13 -.1219 .2900 .25 0.6
	O14 .1198 .2850 .2699 2.0
	O15 .0127 .3969 .1015 1.3
	O16 -.0006 .3760 .4934 1.2
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	Painite
	Moore P B, Araki T
	American Mineralogist 61 (1976) 88-94
	Painite, CaZrB[Al9O18]: Its crystal structure and relation to jeremejevite,
	B5[X3Al6(OH)3O15], and fluoborite, B3[Mg9(F,OH)9O9]
	_database_code_amcsd 0000495
	8.715 8.715 8.472 90 90 120 P6_3
	atom x y z Biso
	Zr 2/3 1/3 1/4 .57
	Ca 0 0 .4929 1.23
	Al1 .3329 .3373 .7490 .61
	Al2 .3425 .3625 .0791 .63
	Al3 .3437 .3596 .4224 .54
	B .3333 .6667 .2495 .84
	O1 .3992 .5518 .2495 .81
	O2 .4052 .5237 .5919 .69
	O3 .4060 .5235 .9070 .54
	O4 .3281 .2186 .2503 .69
	O5 .3019 .1935 .5807 .58
	O6 .2983 .1912 .9165 .73
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	Braunite
	Moore P B, Araki T
	American Mineralogist 61 (1976) 1226-1240
	Braunite: its structure and relationship to bixbyite, and some insights on the
	genealogy of fluorite derivative structures
	_database_code_amcsd 0000543
	9.408 9.408 18.668 90 90 90 *I4_1/acd
	0 -.25 .125
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Mn1 0 .25 .125 .00350 .00350 .00040 -.00240 0 0
	Mn2 0 0 0 .00149 .00176 .00038 -.00033 -.00014 .00003
	Mn3 .25 .2157 0 .00170 .00137 .00041 0 .00012 0
	Mn4 .2318 .4818 .125 .00155 .00155 .00038 -.00017 -.00002 .00002
	Si 0 .25 .375 .00130 .00130 .00048 0 0 0
	O1 .1487 .8537 .9453 .00238 .00188 .00055 .00017 -.00005 -.00002
	O2 .1457 .0734 .0569 .00155 .00146 .00058 -.00023 -.00080 .00031
	O3 .0787 .1347 .9250 .00226 .00155 .00067 .00007 -.00023 .00006
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	Bermanite
	Kampf A R, Moore P B
	American Mineralogist 61 (1976) 1241-1248
	The crystal structure of bermanite, a hydrated manganese phosphate
	_database_code_amcsd 0000544
	5.446 19.250 5.428 90 110.3 90 P2_1
	atom x y z Biso
	Mn1 .4250 0 .2368 .53
	Mn2 .9207 .0013 .7361 .55
	Mn3 .5386 .2509 .5082 1.58
	P1 .4450 .0958 .7116 .53
	P2 .3951 .9046 .7603 .44
	O1 .327 .0749 .415 .90
	O2 .514 .9255 .057 .60
	O3 .292 .0605 .870 .70
	O4 .549 .9398 .605 .70
	O5 .739 .0734 .829 .80
	O6 .101 .9260 .644 .60
	O7 .409 .1742 .726 .90
	O8 .597 .3254 .257 .90
	OH1 .786 .0344 .377 .80
	OH2 .059 .9713 .101 .50
	Wat1 .838 .1863 .443 1.70
	Wat2 .241 .3156 .599 1.60
	Wat3 .255 .2042 .133 1.40
	Wat4 .821 .2909 .877 1.80
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	Gerstmannite
	Moore P B, Araki T
	American Mineralogist 62 (1977) 51-59
	Gerstmannite, a new zinc silicate mineral and a novel cubic close-packed oxide
	structure
	_database_code_amcsd 0000554
	8.185 18.650 6.256 90 90 90 Bbcm
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Mn .0072 .3959 .5 .786 .00288 .00062 .00474 0 0 0
	Mg .0072 .3959 .5 .214 .00288 .00062 .00474 0 0 0
	Mg .25 .5 .25 .00439 .00049 .00482 .00001 -.00107 .00009
	Zn .4003 .25 .25 .00396 .00047 .00437 0 0 .00009
	Si .1442 .3458 0 .00274 .00039 .00452 -.00006 0 0
	OH1 0 .5 .2822 .00192 .00052 .00620 .00009 0 0
	OH2 .2501 .4306 .5 .00424 .00057 .00394 -.00009 0 0
	O1 .2484 .4205 0 .00367 .00028 .00592 -.00029 0 0
	O2 .2775 .2793 0 .00430 .00063 .00483 .00092 0 0
	O3 .0294 .3373 .2112 .00412 .00050 .00711 -.00014 .00213 -.00035
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	Melonjosephite
	Kampf A R, Moore P B
	American Mineralogist 62 (1977) 60-66
	Melonjosephite, calcium iron hydroxy phosphate: its crystal structure
	_database_code_amcsd 0000555
	9.542 10.834 6.374 90 90 90 Pbam
	atom x y z Biso
	Fe1 0 0 .2670 .66
	Fe2 .3434 .0553 .5 .58
	Ca .4259 .2324 0 .96
	P1 .0921 .2441 .5 .44
	P2 .2081 .4779 0 .48
	O1 .0285 .1826 .3028 .57
	O2 .2511 .2307 .5 .86
	O3 .0502 .3817 .5 .75
	O4 .3730 .4691 0 .90
	O5 .3392 .0566 .1866 .74
	O6 .1563 .3466 0 .98
	Oh .3474 .4725 .5 .78
	H .32 .40 .5
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	Samuelsonite
	Moore P B, Araki T
	American Mineralogist 62 (1977) 229-245
	Samuelsonite: its crystal structure and relation to apatite and octacalcium
	phosphate
	_database_code_amcsd 0000561
	18.495 6.805 14.000 90 112.75 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)
	Ba1 .5 .5 .5 .42 .00282 .00671 .01112 0 .00259 0
	Ca2 .4184 .5 .4133 .46 .00167 .00729 .00265 0 .00071 0
	Fe1 0 .2376 0 .41 .00124 .00580 .00148 0 .00061 0
	Na1 0 .2376 0 .41 .00124 .00580 .00148 0 .00061 0
	Mn2 .0607 0 .2466 .90 .00101 .01728 .00201 0 .00087 0
	Na2 .0607 0 .2466 .10 .00101 .01728 .00201 0 .00087 0
	Ca1 .4103 0 .1575 .001056 .00586 .00185 0 .00071 0
	Ca2 .1163 .5 .4246 .00115 .00521 .00185 0 .00065 0
	Ca3 .2584 .2528 .3058 .00174 .00524 .00204 .00019 .00106 .00013
	P1 .1622 0 .1046 .00090 .00457 .00139 0 .00069 0
	P2 .4126 0 .3714 .00097 .00704 .00154 0 .00067 0
	P3 .1868 0 .4461 .00118 .00497 .00125 0 .00074 0
	P4 .0772 .5 .1579 .00098 .00553 .00140 0 .00064 0
	P5 .3665 .5 .1831 .00104 .00438 .00145 0 .00066 0
	Al .25 .25 0 .00093 .00485 .00127 -.00023 .00068 -.00015
	O1 .0751 0 .0284 .00094 .00782 .00207 0 .00065 0
	O2 .1634 0 .2156 .00140 .00897 .00143 0 .00104 0
	O3 .2054 .1838 .0947 .00105 .00485 .00212 -.00060 .00102 .00028
	O4 .3386 0 .2716 .00092 .00550 .00165 0 .00055 0
	O5 .4816 0 .3388 .00104 .01348 .00152 0 .00061 0
	O6 .4087 .1810 .4352 .00176 .01123 .00225 -.00530 .00117 -.00166
	O7 .2642 0 .4304 .00126 .00964 .00176 0 .00071 0
	O8 .2037 0 .5601 .00248 .00738 .00098 0 .00099 0
	O9 .1403 .1803 .3901 .00175 .00853 .00144 .00152 .00053 -.00008
	O10 .0834 .5 .0516 .00121 .01248 .00160 0 .00090 0
	O11 .1545 .5 .2492 .00145 .00745 .00185 0 .00081 0
	O12 .0278 .3172 .1594 .00132 .00743 .00231 -.00012 .00087 .00024
	O13 .3192 .5 .2509 .00201 .00425 .00190 0 .00140 0
	O14 .4539 .5 .2540 .00139 .01062 .00197 0 -.00005 0
	O15 .3467 .3147 .1131 .00106 .00567 .00139 .00017 .00057 -.00000
	OH .2081 .5 -.0031 .00090 .00259 .00199 0 .00096 0
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	Holdenite
	Moore P B, Araki T
	American Mineralogist 62 (1977) 513-521
	Holdenite, a novel cubic close-packed structure
	Note: sample is from the zinc mines at Franklin, Sussex County, New Jersey, USA
	_database_code_amcsd 0000581
	11.99 31.46 8.697 90 90 90 Abma
	atom x y z occ Biso
	Mn1 0 .10108 0 .53 .91
	Mg1 0 .10108 0 .47 .91
	Mn2 0 .20493 0 .92 .79
	Mg2 0 .20493 0 .08 .79
	Mn3 .37353 .05137 .21843 1.00
	Mn4 .36297 .15428 .22701 .84
	Si .25 .25 .1150 .59
	As .12961 .10069 .36268 .64
	Zn1 .11099 0 .10650 .86
	Zn2 .13073 .20123 .36797 .79
	O1 .1347 .2522 .0142 .80
	O2 .2473 .2063 .2158 .89
	O3 .1346 .1453 .4742 .89
	O4 .1382 .0578 .4761 1.04
	O5 .0089 .1010 .2597 .99
	O6 .2396 .1020 .2405 .95
	OH1 .2517 0 .2276 .89
	OH2 -.0034 0 .2700 .95
	OH3 .1173 .0511 -.0247 .92
	OH4 .1113 .1502 -.0308 .91
	OH5 -.0092 .2022 .2552 .89
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	Overite
	Moore P B, Araki T
	American Mineralogist 62 (1977) 692-702
	Overite, segelerite, and jahnsite: a study in combinatorial polymorphism
	_database_code_amcsd 0000582
	14.723 18.746 7.107 90 90 90 Pbca
	atom x y z Biso
	Ca .00588 .24948 .2424 1.30
	Mg .12809 .50033 .7518 1.07
	Al .25686 .25054 .2490 .65
	P1 .38899 .34886 .4936 .72
	P2 .12512 .34936 .5056 .73
	O1 .3431 .3192 .6707 1.30
	O2 .3566 .3074 .3177 .84
	O3 .4920 .3318 .5104 1.16
	O4 .3738 .4285 .4766 1.25
	O5 .1551 .3060 .6808 1.08
	O6 .1713 .3224 .3254 1.20
	O7 .0222 .3312 .4862 .91
	O8 .1390 .4289 .5304 1.04
	OH .2549 .2912 -.0004 .84
	Wat1 .2683 .5080 .7495 1.41
	Wat2 -.0129 .4952 .7527 1.83
	Wat3 .1335 .4210 .9591 1.49
	Wat4 .1182 .5792 .5436 1.46
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	Segelerite
	Moore P B, Araki T
	American Mineralogist 62 (1977) 692-702
	Overite, segelerite, and jahnsite: a study in combinatorial polymorphism
	_database_code_amcsd 0000583
	14.826 18.751 7.307 90 90 90 Pbca
	atom x y z Biso
	Ca .0086 .2469 .2442 1.33
	Mg .1264 .5009 .7522 1.14
	Fe .2593 .2486 .2421 .64
	P1 .3967 .3497 .4914 .79
	P2 .1225 .3515 .5075 .70
	O1 .3497 .3212 .6658 1.25
	O2 .3668 .3076 .3217 .76
	O3 .4992 .3326 .5037 1.28
	O4 .3821 .4281 .4869 1.22
	O5 .1536 .3089 .6824 1.11
	O6 .1703 .3255 .3366 1.63
	O7 .0203 .3300 .4905 1.32
	O8 .1400 .4314 .5431 .61
	OH .2577 .2967 .0051 1.28
	Wat1 .2681 .5086 .7551 1.15
	Wat2 -.0114 .4913 .7405 1.83
	Wat3 .1325 .4218 .9567 .91
	Wat4 .1191 .5810 .5504 1.60
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	Hematolite
	Moore P B, Araki T
	American Mineralogist 63 (1978) 150-159
	Hematolite: A complex dense-packed sheet structure
	_database_code_amcsd 0000610
	8.275 8.275 36.600 90 90 120 R3
	atom x y z occ Biso
	Mn1 0 0 0 1.64
	Mn2 2/3 1/3 .2155 1.78
	Mn3 .3124 .4243 .0739 1.65
	Mn4 .4111 .1116 .1419 1.64
	Al5 .0935 .4750 .2747 .84 1.87
	Mn5 .0935 .4750 .2747 .16 1.87
	Al6 .2503 .1951 .2765 .44 1.49
	Mn6 .2503 .1951 .2765 .56 1.49
	Al7 0 0 .0809 .58 1.46
	Fe7 0 0 .0809 .42 1.46
	As1 0 0 .1949 1.36
	As2 1/3 2/3 .1395 1.38
	As3 2/3 1/3 .0608 1.59
	O1 0 0 .2422 1.24
	O2 2/3 1/3 .1076 .71
	O3 .0590 .2181 .1792 1.85
	O4 .1390 .4986 .1134 1.43
	O5 .6003 .1182 .0449 3.06
	OH1 1/3 2/3 .0454 1.21
	OH2 1/3 2/3 .3007 2.41
	OH3 .0596 .2107 .0468 1.77
	OH4 .2252 .1778 .1095 1.58
	OH5 .6316 .1180 .1733 1.84
	OH6 .2855 .4356 .2474 2.27
	OH7 .4171 .1243 .2434 1.97
	OH8 .0538 .2465 .3037 1.80
	OH9 .5956 .0682 .3088 2.20
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	Magnussonite
	Moore P B, Araki T
	American Mineralogist 64 (1979) 390-401
	Magnussonite, manganese arsenite, a fluorite derivative structure
	_database_code_amcsd 0000713
	19.680 19.680 19.680 90 90 90 Ia-3d
	atom x y z occ
	Mn1 .25 .375 0 .95
	Mg1 .25 .375 0 .05
	Mn2 .23263 .125 .01737 .33
	Cu2 .23263 .125 .01737 .17
	Mn3 .375 .26423 .01423 .94
	Mg3 .375 .26423 .01423 .06
	Mn4 .11266 .36266 .125 .90
	Mg4 .11266 .36266 .125 .10
	Mn5 .00750 .01340 -.00073 .158
	As .49912 .36620 .00839
	O1 .56979 .32014 .03660
	O2 .46116 .31841 -.05683
	O3 .44445 .33379 .07270
	Cl .14136 .10864 .125 .267
	OH .14136 .10864 .125 .067
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	(NH4)H8Fe3(PO4)6(H2O)6
	Moore P B, Araki T
	American Mineralogist 64 (1979) 587-592
	Crystal structure of synthetic (NH4)H8Fe3(PO4)6(H2O)6
	_database_code_amcsd 0000736
	9.151 9.151 16.862 90 90 120 P3c1
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Fe1 0 0 0 0.00316 0.00316 0.00086 0.00158 0 0
	Fe2 2/3 1/3 .1983 0.00327 0.00327 0.00031 0.00164 0 0
	Fe3 2/3 1/3 -.0806 0.00322 0.00322 0.00060 0.00161 0 0
	P1 .8885 .2730 .0603 0.00319 0.00408 0.00066 0.00175 0.00006 -.00003
	P2 .5583 .5267 .3310 0.00630 0.00565 0.00120 0.00374 0.00011 -.00073
	NH1 1/3 2/3 .1635 0.02103 0.02103 0.00409 0.01051 0 0
	O1 .7912 .2459 -.0156 0.00468 0.00630 0.00126 0.00343 0.00142 0.00101
	O2 .9598 .1535 .0652 0.00304 0.00929 0.00093 0.00257 0.00072 0.00182
	OH3 .0433 .4595 .0598 0.01205 0.00883 0.00204 0.00844 0.00006 0.00016
	O4 .7902 .2493 .1373 0.00299 0.00891 0.00119 0.00278 -.00023 -.00107
	O5 .5296 .4040 .2650 0.00510 0.00624 0.00144 0.00188 0.00118 -.00011
	OH6 .7122 .7053 .3107 0.00428 0.00538 0.00397 0.00046 0.00073 -.00209
	O7 .3999 .5354 .3482 0.00538 0.00543 0.00177 0.00289 0.00099 -.00070
	OH8 .6110 .4684 .4089 0.01880 0.01614 0.00153 0.01423 0.00026 0.00039
	Wat1 .1644 .1878 -.0755 0.00641 0.00708 0.00181 0.00270 0.00200 -.00023
	Wat2 .1845 .2786 .2050 0.02269 0.06049 0.00365 0.02982 -.00443 -.00974
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	Armangite
	Moore P B, Araki T
	American Mineralogist 64 (1979) 748-757
	Armangite, Mn26[As6(OH)4O14][As6O18]2[CO3], a fluorite derivative structure
	_database_code_amcsd 0000738
	13.491 13.491 8.855 90 90 120 P-3
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	C 0 0 0 .00214 .00214 .00220 .00107 0 0
	Mn1 1/3 2/3 .30314 .00149 .00149 .00259 .00074 0 0
	Mn2 .33535 .16007 .30385 .00173 .00166 .00187 .00088 0.00005 -.00001
	Mn3 .33164 .41219 .31632 .00178 .00169 .00503 .00091 -.00045 -.00017
	Mn4 .09437 .41460 .35678 .00179 .00168 .00436 .00095 -.00019 -.00035
	Mn5 .25044 .24126 -.00272 .00168 .00468 .00238 .00092 0.00007 -.00015
	As1 .09897 .18907 .34454 .00153 .00157 .00274 .00083 0.00017 0.00020
	As2 .58542 .17085 .37161 .00144 .00139 .00302 .00069 -.00015 0.00009
	As3 .29352 .49418 .00731 .00234 .00163 .00245 .00086 0.00000 -.00011
	O1 .2214 .2285 .2336 .00142 .00261 .00314 .00117 0.00015 -.00013
	O2 .0231 .2427 .2397 .00154 .00250 .00346 .00141 -.00015 -.00036
	O3 .1725 .3175 .4549 .00267 .00241 .00220 .00141 -.00069 -.00099
	O4 .4425 .0760 .3270 .00133 .00209 .00543 .00069 -.00070 -.00008
	O5 .5761 .1706 .5760 .00206 .00290 .00324 .00110 -.00038 -.00089
	O6 .6540 .0881 .3750 .00158 .00218 .00536 .00089 0.00004 -.00080
	O7 .3855 .4398 .0676 .00262 .00413 .00510 .00216 -.00011 0.00059
	O8 .2425 .4961 .1916 .00276 .00274 .00286 .00106 0.00041 -.00033
	O9 .1844 .3588 .9427 .00190 .00202 .00226 .00074 -.00022 -.00062
	O10 .1115 .0520 0 .5 .00232 .00328 .00807 .00113 -.00048 -.00088
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	Senegalite
	Keegan T D, Araki T, Moore P B
	American Mineralogist 64 (1979) 1243-1247
	Senegalite, Al2(OH)3(H2O)(PO4), a novel structure type
	_database_code_amcsd 0000752
	7.675 9.711 7.635 90 90 90 P2_1nb
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Al(1) .5 .19887 .52290 .00240 .00116 .00280 0.0001 -.0003 0
	Al(2) .8832 .34948 .66200 .00220 .00135 .00280 0.0001 -.0003 -.0001
	P .5193 .48252 .68687 .00224 .00111 .00269 0.0001 -.0002 0.0000
	O(1) .7179 .4818 .7206 .00210 .00170 .00650 -.0001 -.0008 0.0004
	O(2) .4311 .5615 .8375 .00400 .00170 .00460 -.0001 -.0008 0.0010
	O(3) .4465 .3349 .6882 .00380 .00150 .00470 -.0006 0.0009 -.0003
	O(4) .4845 .5502 .5116 .00570 .00280 .00400 0.0008 0.0007 -.0011
	OH(1) .7255 .2552 .5134 .00260 .00270 .00430 0.0007 -.0002 0.0012
	OH(2) .0423 .4254 .8294 .00240 .00180 .00400 -.0003 -.0004 0.0004
	OH(3) .8310 .2452 .8698 .00310 .00150 .00380 0.0005 -.0006 -.0005
	Wat .0521 .2018 .6050 .00430 .00210 .00600 0.0004 0.0012 0.0001
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	Paulmooreite
	Araki T, Moore P B, Brunton G D
	American Mineralogist 65 (1980) 340-345
	The crystal structure of paulmooreite, Pb2[As2O5]: dimeric arsenite groups
	_database_code_amcsd 0000778
	13.584 5.650 8.551 90 108.78 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)
	Pb1 .87944 .34777 .85850 .00210 .01403 .00522 -.00028 .00068 -.00074
	Pb2 .19928 .65316 .65005 .00202 .01342 .00609 -.00045 .00102 0.00062
	As1 .93649 .87122 .61423 .00183 .01206 .00520 -.00014 .00119 0.00057
	As2 .12882 .12912 .88433 .00186 .01284 .00550 0.00052 .00123 -.00024
	O1 .8488 .6698 .6518 .00221 .01195 .00885 -.00071 .00155 -.00120
	O2 .8642 .1238 .6227 .00206 .01297 .00607 0.00091 .00087 -.00099
	O3 .0316 .8904 .8209 .00193 .02612 .00593 -.00417 .00022 0.00158
	O4 .2060 .0530 .7597 .00210 .01800 .00801 -.00066 .00289 -.00115
	O5 .1999 .9990 .0698 .00295 .01989 .00434 -.00163 .00014 0.00029
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	Fillowite
	Araki T, Moore P B
	American Mineralogist 66 (1981) 827-842
	Fillowite, Na2Ca(Mn,Fe)7(PO4)6: Its crystal structure
	_database_code_amcsd 0000842
	15.282 15.282 43.507 90 90 120 R-3
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mn1 0 0 0 .62 0.0095 0.0095 0.0126 .00475 0 0
	Ca1 0 0 0 .38 0.0095 0.0095 0.0126 .00475 0 0
	Mn2 0 0 .5 0.0096 0.0096 0.0106 0.0048 0 0
	Fe3 0 0 .10083 0.0108 0.0108 0.0152 0.0054 0 0
	Fe4 0 0 .32463 0.0117 0.0117 0.0119 .00585 0 0
	Mn5 0 0 .39880 0.0095 0.0095 0.0135 .00475 0 0
	Mn6 .42839 .24706 .05159 0.0110 0.0175 0.0118 0.0078 0.0000 -.0009
	Mn7 .11125 .57169 .03778 0.0099 0.0184 0.0107 0.0079 -.0007 0.0001
	Mn8 .00343 .32387 .08210 .33 0.0097 0.0107 0.0128 0.0042 0.0009 0.0010
	Fe8 .00343 .32387 .08210 .67 0.0097 0.0107 0.0128 0.0042 0.0009 0.0010
	Mn9 .26360 .33025 .08576 0.0114 0.0104 0.0103 0.0051 0.0000 -.0002
	Mn10 .57395 .08154 .12440 0.0137 0.0076 0.0192 0.0045 0.0053 0.0017
	Mn11 .22241 .10811 .13377 0.0121 0.0091 0.0177 0.0060 0.0041 0.0017
	Na1 0 0 .17485 .91 0.0199 0.0199 0.0165 .00995 0 0
	Ca1 0 0 .17485 .09 0.0199 0.0199 0.0165 .00995 0 0
	Na2 0 0 .24871 .90 0.0326 0.0326 0.0216 0.0163 0 0
	Ca2 0 0 .24871 .10 0.0326 0.0326 0.0216 0.0163 0 0
	Na3 .07920 .42728 .16515 0.0391 0.0350 0.0194 0.0288 0.0032 0.0069
	Ca4 .26607 .29074 .00104 .65 0.0340 0.0288 0.0154 0.0279 -.0037 -.0029
	Na4 .26607 .29074 .00104 .35 0.0340 0.0288 0.0154 0.0279 -.0037 -.0029
	P1 .19099 .43418 .02780 0.0070 0.0075 0.0082 0.0034 0.0003 0.0004
	P2 .53388 .11487 .03893 0.0119 0.0069 0.0107 0.0040 0.0013 0.0001
	P3 .54217 .09121 .19936 0.0081 0.0070 0.0106 0.0034 0.0001 -.0002
	P4 .21794 .12273 .20976 0.0102 0.0080 0.0112 0.0047 -.0029 -.0021
	P5 .22502 .46060 .22200 0.0076 0.0071 0.0078 0.0033 -.0001 0.0002
	P6 .46755 .21656 .27903 0.0099 0.0106 0.0115 0.0062 0.0002 -.0012
	O1 .16384 .38196 -.00371 0.0120 0.0107 0.0105 0.0044 -.0023 -.0024
	O2 .25347 .55116 .02559 0.0165 0.0059 0.0115 -.0003 0.0016 0.0008
	O3 .25597 .39869 .04487 0.0137 0.0203 0.0139 0.0131 0.0017 0.0042
	O4 .09274 .41058 .04415 0.0106 0.0194 0.0150 0.0086 0.0040 0.0027
	O5 .46016 .12678 .06001 0.0144 0.0115 0.0170 0.0052 0.0086 0.0010
	O6 .55695 .03458 .05085 0.0189 0.0108 0.0209 0.0092 -.0047 0.0007
	O7 .63683 .21482 .03920 0.0130 0.0091 0.0215 0.0059 0.0027 0.0031
	O8 .48812 .09088 .00646 0.0286 0.0181 0.0132 0.0132 -.0021 -.0025
	O9 .54102 .03154 .17097 0.0150 0.0107 0.0134 0.0049 0.0010 -.0027
	O10 .62717 .20328 .19749 0.0115 0.0074 0.0162 0.0036 0.0019 -.0004
	O11 .43952 .08876 .20189 0.0103 0.0140 0.0150 0.0071 0.0017 0.0035
	O12 .55031 .04003 .22916 0.0130 0.0130 0.0147 0.0078 -.0012 0.0028
	O13 .23250 .07960 .17998 0.0274 0.0235 0.0132 0.0153 -.0014 -.0057
	O14 .12532 .13521 .20748 0.0108 0.0124 0.0282 0.0066 -.0062 -.0047
	O15 -.11095 .23987 .11603 0.0081 0.0123 0.0162 0.0054 0.0044 0.0038
	O16 .19863 .04226 .23476 0.0198 0.0105 0.0135 0.0074 -.0031 0.0001
	O17 .27073 .52738 .19431 0.0263 0.0129 0.0144 0.0089 0.0070 0.0067
	O18 .10715 .40130 .21959 0.0072 0.0141 0.0170 0.0037 -.0014 -.0039
	O19 .25370 .37674 .22244 0.0127 0.0119 0.0140 0.0079 -.0032 -.0011
	O20 .25286 .51960 .25266 0.0154 0.0089 0.0120 0.0053 -.0013 -.0029
	O21 .52428 .24646 .24824 0.0121 0.0178 0.0189 0.0032 0.0072 -.0008
	O22 .38217 .10219 .27484 0.0111 0.0108 0.0187 0.0038 0.0021 -.0020
	O23 .41433 .27752 .28429 0.0206 0.0195 0.0180 0.0168 0.0036 0.0006
	O24 .53077 .22013 .30646 0.0264 0.0287 0.0284 0.0187 -.0156 -.0097
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Ca(H2O)3(C2O4)
	Deganello S, Kampf A R, Moore P B
	American Mineralogist 66 (1981) 859-865
	The crystal structure of calcium oxalate trihydrate Ca(H2O)3(C2O4)
	_database_code_amcsd 0000844
	7.145 8.600 6.099 112.30 108.87 89.92 P-1
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca .2810 .3079 .2161 .0110 .0058 .0127 .0002 .0050 .0026
	C1 -.4015 .0501 .1082 .0124 .0100 .0297 -.0011 .0064 .0025
	C2 .4285 .4439 -.1331 .0105 .0082 .0184 -.0008 .0037 .0038
	O1 -.4113 .1936 .2612 .0138 .0086 .0334 .0001 .0049 -.0044
	O2 .2479 .0225 -.1109 .0119 .0106 .0342 .0010 .0060 -.0010
	O3 .2846 .3558 -.1421 .0205 .0198 .0202 -.0109 .0038 .0061
	O4 .4643 .4484 -.3198 .0153 .0101 .0157 -.0026 .0058 .0042
	Wat1 .1370 .1275 .3608 .0141 .0138 .0187 -.0046 .0008 .0047
	Wat2 .1240 -.4439 .3688 .0120 .0116 .0362 .0012 -.0008 -.0014
	Wat3 .0815 -.2452 .0550 .0206 .0129 .0385 .0004 .0022 .0091
	H1 .014 .434 .646
	H2 .803 .345 .487
	H3 .865 .326 .853
	H4 .989 .101 .313
	H5 .211 .165 .540
	H6 .823 .136 .808
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Arrojadite-(KFe)
	Moore P B, Araki T, Merlino S, Mellini M, Zanazzi P F
	American Mineralogist 66 (1981) 1034-1049
	The arrojadite-dickinsonite series, KNa4Ca(Fe,Mn)14Al(OH)2(PO4)12:
	Crystal structure and crystal chemistry
	sample NM
	Locality: Nancy mine, North Groton, New Hampshire, USA
	_database_code_amcsd 0000846
	24.692 10.031 16.453 90 105.78 90 A2/a
	atom x y z occ
	Al1 0 .5 0
	Fe1 .47321 .89531 .22048
	Fe2 .26656 .00954 .21173
	Fe3 .14023 .01559 .10524
	Fe4 .40367 .25041 .02298
	Fe5 .39990 .74383 .03394
	Fe6 .35132 .70124 .20352
	Fe7 .34199 .29518 .21822
	Ca .48587 .22363 .23404 .5
	Na1 .11986 .51637 .13523
	Na2 0 0 0 .5
	Na3 .25 .1248 0 .5
	Na4 .4560 .9448 .2037 .5
	K .25 .5090 0
	P1 .36662 .01006 .11457 .5
	P2 .33440 .99720 .08030 .5
	P3 .42435 .46788 .13165
	P4 .03946 .25200 .12680
	P5 .04849 .76821 .10200
	P6 .21262 .72485 .12932
	P7 .20536 .30030 .14028
	O1 .3677 .0625 .0258
	O2 .3633 -.1412 .1122
	O3 .3179 .0734 .1382 .5
	O4 .4220 .0469 .1821 .5
	O5 .2718 .9540 .0224 .5
	O6 .3231 .0860 .1479 .5
	O7 .4456 .4443 .0519
	O8 .3909 .5970 .1207
	O9 .3872 .3430 .1317
	O10 .4725 .4678 .2131
	O11 .0752 .1662 .0843
	O12 .0367 .3958 .0950
	O13 -.0199 .1897 .1101
	O14 .0644 .2542 .2238
	O15 .0489 .6431 .0458
	O16 .0803 .8734 .0636
	O17 -.0114 .8142 .0967
	O18 .0793 .7371 .1939
	O19 .1712 .6753 .0486
	O20 .2709 .6765 .1296
	O21 .2105 .8783 .1348
	O22 .1952 .6648 .2057
	O23 .1646 .3456 .0562
	O24 .2644 .3551 .1456
	O25 .2055 .1470 .1443
	O26 .1847 .3561 .2151
	F .1395 .0035 .2301
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Arrojadite-(KFe)
	Moore P B, Araki T, Merlino S, Mellini M, Zanazzi P F
	American Mineralogist 66 (1981) 1034-1049
	The arrojadite-dickinsonite series, KNa4Ca(Fe,Mn)14Al(OH)2(PO4)12:
	Crystal structure and crystal chemistry
	sample NP
	Locality: Nickel Plate mine, Keystone, South Dakota, USA
	_database_code_amcsd 0000847
	24.730 10.057 16.526 90 105.78 90 A2/a
	atom x y z occ
	Al1 0 .5 0
	Fe1 .4738 .8957 .2202
	Fe2 .2674 .0078 .2123
	Fe3 .1394 .0142 .1066
	Fe4 .4036 .2496 .0222
	Fe5 .4004 .7434 .0334
	Fe6 .3517 .6992 .2044
	Fe7 .3432 .2945 .2193
	Ca1 .4848 .2223 .2322 .5
	Na1 .1202 .5150 .1289
	Na2 0 0 0 .5
	Na3 .25 .1460 0 .5
	Na4 .4567 .9417 .2077 .5
	K .25 .5043 0
	P1 .3662 .0085 .1130 .5
	P2 .3354 .9948 .0799 .5
	P3 .4246 .4670 .1303
	P4 .0385 .2518 .1259
	P5 .0474 .7673 .1023
	P6 .2115 .7241 .1304
	P7 .2045 .2972 .1425
	O1 .3675 .0614 .0250
	O2 .3635 -.1416 .1120
	O3 .3220 .0770 .1426 .5
	O4 .4222 .0462 .1807 .5
	O5 .2720 .9678 .0234 .5
	O6 .4222 .0462 .1807 .5
	O7 .4450 .4448 .0501
	O8 .3924 .5879 .1213
	O9 .3871 .3445 .1301
	O10 .4733 .4637 .2103
	O11 .0751 .1664 .0842
	O12 .0360 .3951 .0941
	O13 -.0206 .1891 .1078
	O14 .0623 .2533 .2224
	O15 .0482 .6428 .0467
	O16 .0794 .8719 .0652
	O17 -.0126 -.8139 .0961
	O18 .0770 .7357 .1939
	O19 .1703 .6785 .0484
	O20 .2703 .6781 .1315
	O21 .2088 .8773 .1395
	O22 .1938 .6604 .2044
	O23 .1653 .3402 .0583
	O24 .2632 .3509 .1516
	O25 .2052 .1447 .1489
	O26 .1824 .3541 .2156
	F .1383 .0013 .2315
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Dickinsonite-(KMnNa)
	Moore P B, Araki T, Merlino S, Mellini M, Zanazzi P F
	American Mineralogist 66 (1981) 1034-1049
	The arrojadite-dickinsonite series, KNa4Ca(Fe,Mn)14Al(OH)2(PO4)12:
	crystal structure and crystal chemistry
	sample BR
	Locality: Branchville, Connecticut, USA
	_database_code_amcsd 0000848
	24.940 10.131 16.722 90 105.60 90 A2/a
	atom x y z occ
	Al 0 .5 0
	Fe1 .47856 .88682 .22519
	Fe2 .26879 .00654 .21154
	Fe3 .13944 .01293 .10620
	Fe4 .40442 .24825 .02195
	Fe5 .40102 .74524 .03375
	Fe6 .35182 .69839 .20674
	Fe7 .34356 .29531 .22190
	Ca .48542 .22242 .23362 .5
	Na1 .12070 .51223 .12679
	Na2 0 0 0 .5
	Na3 .25 .1600 0 .5
	Na4 .45639 .93751 .21059 .5
	K .25 .4960 0
	P1 .3693 .0090 .1168 .5
	P2 .3388 .9987 .0847 .5
	P3 .42283 .46775 .12855
	P4 .03808 .24996 .12487
	P5 .04757 .76632 .10221
	P6 .21185 .72319 .12967
	P7 .20441 .29526 .14445
	O1 .3680 .0624 .0281
	O2 .3643 -.1369 .1139
	O3 .3235 .0762 .1455 .5
	O4 .4246 .0410 .1799 .5
	O5 .2713 .9691 .0277 .5
	O6 .3473 .0797 .1542 .5
	O7 .4438 .4455 .0496
	O8 .3907 .5974 .1190
	O9 .3854 .3460 .1281
	O10 .4702 .4652 .2086
	O11 .0733 .1649 .0818
	O12 .0370 .3924 .0944
	O13 -.0208 .1911 .1070
	O14 .0622 .2476 .2206
	O15 .0485 .6431 .0467
	O16 .0789 .8710 .0646
	O17 -.0114 .8122 .0976
	O18 .0773 .7359 .1929
	O19 .1713 .6816 .0473
	O20 .2705 .6807 .1302
	O21 .2091 .8742 .1403
	O22 .1936 .6563 .2018
	O23 .1665 .3376 .0602
	O24 .2629 .3503 .1545
	O25 .2058 .1438 .1494
	O26 .1813 .3499 .2155
	F .1354 .0009 .2309
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Dixenite
	Araki T, Moore P B
	American Mineralogist 66 (1981) 1263-1273
	Dixenite, CuMn14Fe(OH)6(AsO3)5(SiO4)2(AsO4): Metallic [As4Cu] clusters
	in an oxide matrix
	_database_code_amcsd 0000853
	8.233 8.233 37.499 90 90 120 R3
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Mn2 1/3 2/3 .00622 .9 0.0048 0.0048 0.0004 0.0024 0 0
	Mg1 1/3 2/3 .00622 .1 0.0048 0.0048 0.0004 0.0024 0 0
	Fe1 0 0 .25749 0.0028 0.0028 0.0001 0.0014 0 0
	Mn3 .0408 .2617 .06782 0.0041 0.0051 0.0002 0.0024 0.0000 -.0002
	Mn4 .4158 .3359 .12987 0.0045 0.0061 0.0002 0.0029 -.0001 -.0004
	Mn5 .1089 .3976 .19230 0.0042 0.0042 0.0002 0.0022 -.0002 -.0001
	Mn6 .4226 .3154 .26133 0.0035 0.0035 0.0002 0.0019 -.0001 0.0000
	Cu1 1/3 2/3 .31292 .651 0.0029 0.0029 0.0002 0.0015 0 0
	Cu2 1/3 2/3 .00300 .192 0.0038 0.0038 0.0003 0.0019 0 0
	Si1 2/3 1/3 .18792 .860 0.0032 0.0032 0.0001 0.0016 0 0
	As1 2/3 1/3 .18792 .140 0.0032 0.0032 0.0001 0.0016 0 0
	Si2 0 0 .14620 .600 0.0030 0.0030 0.0001 0.0015 0 0
	As2 0 0 .14620 .400 0.0030 0.0030 0.0001 0.0015 0 0
	Si3 1/3 2/3 .11357 .240 0.0029 0.0029 0.0001 0.0015 0 0
	As3 1/3 2/3 .11357 .760 0.0029 0.0029 0.0001 0.0015 0 0
	As4 2/3 1/3 .06992 0.0038 0.0038 0.0001 0.0019 0 0
	As5 1/3 2/3 .25062 0.0037 0.0037 0.0001 0.0018 0 0
	As6 .08854 .37369 .31589 0.0035 0.0042 0.0001 0.0023 0.0000 0.0000
	O1 0 0 .10190 0.0064 0.0064 0.0001 0.0032 0 0
	O2 1/3 2/3 .15840 0.0060 0.0060 0.0002 0.0030 0 0
	O3 2/3 1/3 .23110 0.0035 0.0035 0.0001 0.0018 0 0
	O4 .0899 .4444 .0212 0.0072 0.0055 0.0001 0.0028 -.0001 0.0001
	O5 .4698 .1659 .0949 0.0034 0.0032 0.0002 0.0012 -.0002 -.0003
	O6 .2837 .4545 .0988 0.0045 0.0039 0.0002 0.0030 -.0004 -.0002
	O7 .1655 .2081 .1617 0.0040 0.0026 0.0002 0.0017 0.0000 -.0002
	O8 .5194 .1277 .1707 0.0037 0.0045 0.0001 0.0011 0.0002 -.0001
	O9 .3690 .5010 .2277 0.0050 0.0050 0.0002 0.0034 -.0002 0.0000
	O10 .1468 .2272 .2905 0.0049 0.0039 0.0002 0.0025 0.0000 -.0002
	O11 .4608 .1185 .2956 0.0027 0.0034 0.0001 0.0001 0.0001 0.0002
	OH12 .2140 .1791 .0375 0.0044 0.0047 0.0002 0.0019 -.0002 -.0002
	OH13 .2352 .0814 .2271 0.0050 0.0040 0.0001 0.0025 -.0001 -.0001
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Hyalotekite
	Moore P B, Araki T, Ghose S
	American Mineralogist 67 (1982) 1012-1020
	Hyalotekite, a complex lead borosilicate: Its crystal structure and the
	lone-pair effect of Pb(II)
	_database_code_amcsd 0000880
	11.310 10.955 10.317 90.43 90.02 90.16 I-1
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb1 .1543 .1726 .0043 .290 0.0039 0.0124 0.0089 -.0086 -.0012 -.0023
	Ba1 .1878 .1924 .0109 .710 0.0467 0.0257 0.0123 0.0182 0.0054 0.0032
	Pb2 .8460 .1719 .0046 .291 0.0122 0.0115 0.0100 0.0108 0.0006 -.0017
	Ba2 .8097 .1927 .0105 .709 0.0401 0.0232 0.0129 -.0116 -.0067 0.0024
	Ca1 .9996 .0031 .2289 0.0095 0.0069 0.0094 0.0011 -.0003 0.0007
	Si1 .3172 .4995 .0001 .810 0.0100 0.0156 0.0099 0.0011 -.0010 -.0016
	Be .3172 .4995 .0001 .190 0.0100 0.0156 0.0099 0.0011 -.0010 -.0016
	Si2 .1936 .5267 .2482 0.0085 0.0108 0.0145 0.0009 -.0002 -.0004
	Si3 .8061 .5274 .2480 0.0100 0.0098 0.0141 0.0017 0.0000 -.0005
	Si4 .9994 .3222 .2626 0.0128 0.0086 0.0124 0.0002 -.0011 -.0006
	Si5 .0002 .7224 .2825 0.0122 0.0082 0.0104 0.0010 -.0005 -.0005
	B .4999 .3367 .0305 0.0203 0.0115 0.0101 0.0020 0.0010 0.0008
	O1 .8845 .6385 .3068 0.0259 0.0205 0.0192 -.0093 -.0009 -.0037
	O2 .8833 .4043 .2314 0.0283 0.0249 0.0365 0.0098 -.0015 -.0081
	O3 .1159 .4031 .2325 0.0309 0.0214 0.0363 -.0114 0.0058 -.0042
	O4 .1158 .6385 .3062 0.0236 0.0193 0.0192 0.0115 -.0015 -.0025
	O5 .2328 .5685 .1035 0.0187 0.0152 0.0158 0.0043 0.0004 0.0026
	O6 .7666 .5700 .1031 0.0197 0.0172 0.0178 -.0041 -.0028 0.0008
	O7 .6078 .4054 .0791 0.0207 0.0179 0.0129 0.0007 -.0009 -.0008
	O8 .3935 .4044 .0796 0.0204 0.0192 0.0091 0.0022 0.0002 -.0009
	O9 .5020 .2126 .0868 0.0546 0.0164 0.0143 -.0017 -.0012 0.0004
	O10 .4994 .6660 .1133 0.0178 0.0071 0.0177 0.0009 -.0004 -.0014
	O11 .0007 .7836 .1428 0.0226 0.0165 0.0133 -.0002 -.0018 0.0016
	O12 .9988 .2082 .1657 0.0168 0.0121 0.0109 0.0019 -.0004 -.0006
	O13 .3020 .5075 .3424 0.0095 0.0204 0.0174 0.0028 0.0004 0.0011
	O14 .6973 .5083 .3422 0.0156 0.0202 0.0153 -.0041 0.0013 0.0011
	F 0 0 0 0.0267 0.0266 0.0152 0.0026 0.0022 0.0003
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Tornebohmite-(Ce)
	Shen J, Moore P B
	American Mineralogist 67 (1982) 1021-1028
	Tornebohmite, RE2Al(OH)[SiO4]2: Crystal structure and genealogy of
	RE(III)Si(IV) <---> Ca(II)P(V) isomorphisms
	_database_code_amcsd 0000881
	7.383 5.673 16.937 90 112.04 90 P2_1/c
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ce1 .81254 .73320 .45628 0.0105 0.0059 0.0073 0.0000 0.0058 0.0001
	Ce2 .21935 .78459 .36951 0.0128 0.0090 0.0115 0.0001 0.0088 -.0002
	Si1 .5286 .2507 .4187 0.0097 0.0040 0.0058 0.0010 0.0038 0.0009
	Si2 .9312 .2389 .3381 0.0087 0.0048 0.0055 0.0011 0.0032 -.0002
	Al .4929 .5008 .2503 0.0077 0.0018 0.0037 0.0003 0.0029 -.0002
	O1 .3822 .2133 .4665 0.0345 0.0199 0.0277 0.0096 0.0281 0.0097
	O2 .7488 .2851 .4845 0.0150 0.0122 0.0112 -.0034 0.0008 0.0008
	O3 .5083 .0120 .3614 0.0131 0.0065 0.0072 0.0003 0.0046 -.0008
	O4 .4791 -.5097 .3600 0.0146 0.0060 0.0068 0.0008 0.0049 0.0008
	O5 .0406 .1733 .2739 0.0133 0.0141 0.0102 0.0001 0.0071 -.0033
	O6 .6939 .2561 .2765 0.0104 0.0066 0.0078 -.0009 0.0042 0.0013
	O7 .9988 .4764 .3943 0.0137 0.0046 0.0095 -.0007 0.0042 -.0013
	O8 .9811 .0234 .4057 0.0109 0.0077 0.0084 -.0008 0.0017 0.0016
	OH .3239 .2450 .2144 0.0088 0.0061 0.0078 0.0012 0.0037 0.0001
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Surinamite
	Moore P B, Araki T
	American Mineralogist 68 (1983) 804-810
	Surinamite, ca. Mg3Al4Si3BeO16: its crystal structure and relation to
	sapphirine, ca. Mg2.8Al7.2Si1.2O16
	_database_code_amcsd 0000907
	9.916 11.384 9.631 90 109.3 90 P2/n
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Mg1 .47718 .65733 .25876 .589 0.0072 0.0093 0.0072 -.0011 0.0035 0.0002
	Fe1 .47718 .65733 .25876 .411 0.0072 0.0093 0.0072 -.0011 0.0035 0.0002
	Al2 .50124 .37756 .26827 .853 0.0060 0.0066 0.0075 -.0003 0.0035 -.0003
	Fe2 .50124 .37756 .26827 .147 0.0060 0.0066 0.0075 -.0003 0.0035 -.0003
	Al3 .50226 .11446 .25443 .946 0.0054 0.0055 0.0059 -.0001 0.0027 -.0004
	Fe3 .50226 .11446 .25443 .054 0.0054 0.0055 0.0059 -.0001 0.0027 -.0004
	Al4 .25 .25314 .25 0.0085 0.0108 0.1080 0 0.0050 0
	Mg5 .25 .96665 .25 .957 0.0037 0.0063 0.0065 0 0.0027 0
	Fe5 .25 .96665 .25 .043 0.0037 0.0063 0.0065 0 0.0027 0
	Al6 .75 .51164 .25 0.0064 0.0087 0.0071 0 0.0020 0
	Mg7 .75 .25546 .25 .799 0.0046 0.0055 0.0096 0 0.0045 0
	Fe7 .75 .25546 .25 .201 0.0046 0.0055 0.0096 0 0.0045 0
	Mg8 .75 .97460 .25 .950 0.0038 0.0058 0.0063 0 0.0027 0
	Fe8 .75 .97460 .25 .050 0.0038 0.0058 0.0063 0 0.0027 0
	Al9 0 .5 .5 0.0048 0.0078 0.0059 -.0002 0.0017 0.0001
	Be1 .32307 .75235 .45592 .945 0.0062 0.0063 0.0062 -.0005 0.0022 0.0004
	Si1 .32307 .75235 .45592 .055 0.0062 0.0063 0.0062 -.0005 0.0022 0.0004
	Si2 .07671 .88380 .44821 0.0073 0.0084 0.0071 0.0000 0.0032 0.0001
	Si3 .30678 .50165 .43709 0.0074 0.0096 0.0070 -.0002 0.0029 0.0002
	Si4 .56917 .88011 .44754 0.0074 0.0078 0.0066 0.0003 0.0029 -.0001
	Al5 .82994 .74462 .45244 .941 0.0051 0.0047 0.0043 0.0003 0.0022 -.0003
	O1 .11631 .99878 .37095 0.0072 0.0088 0.0088 -.0001 0.0038 0.0007
	O2 .61382 .99424 .37191 0.0079 0.0087 0.0089 0.0005 0.0037 0.0010
	O3 .87706 .11366 .37042 0.0073 0.0092 0.0075 -.0002 0.0032 0.0003
	O4 .37628 .11562 .37104 0.0073 0.0087 0.0074 -.0002 0.0026 0.0003
	O5 .90335 .86355 .38761 0.0070 0.0089 0.0085 -.0003 0.0023 0.0012
	O6 .39954 .85556 .38810 0.0071 0.0108 0.0076 -.0011 0.0022 0.0014
	O7 .61041 .24671 .36210 0.0073 0.0100 0.0083 -.0007 0.0035 0.0014
	O8 .64425 .76573 .39752 0.0080 0.0088 0.0105 0.0002 0.0037 -.0008
	O9 .10811 .25065 .35473 0.0072 0.0110 0.0071 -.0001 0.0025 0.0000
	O10 .14913 .76935 .40286 0.0087 0.0095 0.0101 0.0002 0.0041 -.0015
	O11 .35898 .62573 .39176 0.0091 0.0104 0.0094 -.0010 0.0035 0.0005
	O12 .37027 .39285 .36854 0.0084 0.0129 0.0079 -.0001 0.0017 -.0008
	O13 .88120 .61981 .37314 0.0072 0.0096 0.0075 0.0000 0.0026 -.0001
	O14 .88412 .40015 .35382 0.0077 0.0098 0.0071 -.0008 0.0029 -.0004
	O15 .63209 .50572 .37948 0.0085 0.0109 0.0096 0.0011 0.0037 -.0005
	O16 .12767 .49848 .38191 0.0090 0.0111 0.0091 -.0004 0.0036 -.0004
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	Cerite-(Ce)
	Moore P B, Shen J
	American Mineralogist 68 (1983) 996-1003
	Cerite, RE9(Fe3+,Mg)(SiO4)6(SiO3OH)(OH)3: Its crystal structure and
	relation to whitlockite
	Note: Thermal parameters have been changed to match symmetry constraints,
	It is likely that the structure was refined wrong to begin with.
	_database_code_amcsd 0000921
	10.779 10.779 38.061 90 90 120 R3c
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ce1 .2552 .1318 .0683 .940 0.0120 0.0110 0.0098 -.0002 0.0017 0.0072
	Ce2 .1435 .2621 .4329 .890 0.0111 0.0294 0.0158 0.0127 0.0052 0.0125
	Ce3 .2592 .1357 .1762 .879 0.0160 0.0146 0.0112 -.0041 -.0037 0.0107
	Si1 .3164 .1471 .3641 0.0083 0.0125 0.0128 0.0001 0.0004 0.0071
	Si2 .1499 .3255 .1376 0.0093 0.0120 0.0115 0.0001 -.0005 0.0003
	Sic 0 0 .2524 .862 0.0133 0.0133 0.0061 .00665 0 0
	Mg 0 0 0 0.0138 0.0138 0.0108 0.0069 0 0
	Cax 0 0 .3444 .169 0.0251 0.0251 0.0329 .01255 0 0
	O1 .2653 .0907 .3232 0.0325 0.0493 0.0247 -.0158 -.0127 0.0254
	O2 .2764 .0034 .3871 0.0091 0.0117 0.0184 -.0011 0.0013 0.0038
	O3 .2578 .2478 .3796 0.0239 0.0228 0.0220 0.0017 0.0045 0.0227
	O4 .0857 .1785 .0334 0.0121 0.0100 0.0244 -.0047 0.0043 0.0044
	O5 .2415 .2645 .1177 0.0151 0.0175 0.0115 -.0070 -.0025 0.0041
	O6 -.0140 .2640 .1236 0.0140 0.0197 0.0110 0.0010 -.0026 0.0057
	O7 .1682 .0743 .4655 0.0050 0.0064 0.0362 0.0009 -.0048 0.0015
	O8 .1396 .2824 .1788 0.0128 0.0176 0.0041 0.0003 0.0029 0.0079
	O9 .1602 .0392 .2398 0.0150 0.0370 0.0192 -.0039 -.0035 0.0129
	OH1 0 0 .2967 .866 0.0311 0.0311 0.0148 .01555 0 0
	OH1a 0 0 .0638 .097 0.0224 0.0224 0.0080 .0112 0 0
	OH1 0 0 .0900 0.0059 0.0059 0.0290 .00295 0 0
	OH3 0 0 .1633 .936 0.0112 0.0112 0.0210 .0056 0 0
	OH2 0 0 .4090 0.0275 0.0275 0.0208 .01375 0 0
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	Gainesite
	Moore P B, Araki T, Steele I M, Swihart G H, Kampf A R
	American Mineralogist 68 (1983) 1022-1028
	Gainesite, sodium zirconium beryllophosphate: A new mineral and its crystal
	structure
	_database_code_amcsd 0000922
	6.567 6.567 17.119 90 90 90 *I4_1/amd
	0 -.25 .125
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Na1 0 .0352 .0352 .135 0.0198 0.0344 0.0021 0 0 0.0067
	Na2 0 .6654 .0398 .104 0.0144 0.0585 0.0027 0 0 0.0058
	Zr 0 .25 .375 0.0036 0.0036 0.0007 0 0 0
	Be 0 .75 .125 .5 0.0154 0.0154 0.0019 0 0 0
	P 0 .1760 .1742 .5 0.0035 0.0053 0.0007 0 0 -.0002
	O1 0 .25 .2551 0.0107 0.0107 0.0010 0 0 0
	O2 0 .5645 .3781 0.0109 0.0037 0.0012 0 0 -.0003
	O3 0 .5540 .1826 .5 0.0125 0.0057 0.0016 0 0 0.0002
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	Cappelenite-(Y)
	Shen J, Moore P B
	American Mineralogist 69 (1984) 190-195
	Crystal structure of cappelenite, Ba(Y,RE)6[Si3B6O24]F2: a silicoborate
	sheet structure
	_database_code_amcsd 0000935
	10.67 10.67 4.680 90 90 120 P3
	atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ba 0 0 0 0.0167 0.0167 0.0194 .00835 0 0
	Y1 .2155 .4311 .9401 0.0001 0.0039 0.0107 0.0014 0.0001 -.0021
	Y2 .4320 .2161 .9722 0.0040 0.0088 0.0173 0.0011 -.0056 -.0049
	Si .0088 .5049 .4100 0.0116 0.0074 0.0217 0.0045 0.0017 0.0031
	B1 .255 .255 .474 0.0128 0.0001 0.0245 0.0175 0.0032 0.0002
	B2 .003 .254 .475 0.0320 0.0001 0.0151 -.0037 -.0089 -.0070
	O1 .371 .387 .630 0.0149 0.0234 0.0022 0.0078 0.0062 0.0020
	O2 .018 .387 .631 0.0316 0.0230 0.0156 0.0156 -.0093 0.0044
	O3 .572 .428 .236 0.0179 0.0018 0.0129 0.0021 -.0003 -.0026
	O4 .426 .573 .197 0.0070 0.0106 0.0181 0.0025 -.0037 -.0039
	O5 .281 .140 .600 0.0125 0.0190 0.0209 0.0115 0.0039 0.0020
	O6 .112 .227 .619 0.0229 0.0244 0.0288 0.0190 -.0035 0.0025
	O7 .260 .262 .186 0.0001 0.0079 0.0247 0.0009 -.0038 -.0073
	O8 .001 .265 .188 0.0109 0.0167 0.0192 0.0069 0.0088 0.0022
	F1 1/3 2/3 .735 1.14
	F2 2/3 1/3 .783 0.94
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	Roeblingite
	Moore P B, Shen J
	American Mineralogist 69 (1984) 1173-1179
	Roeblingite, Pb2Ca6(SO4)2(OH)2(H2O)4[Mn(Si3O9)2]: Its crystal structure and
	comments on the lone pair effect
	_database_code_amcsd 0000963
	13.208 8.287 13.089 90 106.65 90 C2/m
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb .1010 0 .1450 0.0134 0.0115 0.0145 0 0.0030 0
	Mn 0 .5 .5 0.010 0.010 0.016 0 0.003 0
	Ca1 .0549 .5 .2371 0.012 0.011 0.015 0 0.004 0
	Ca2 .3042 .2306 .3307 0.009 0.009 0.015 0.002 0.000 0.002
	Si1 .2632 .5 .4846 0.008 0.007 0.013 0 0.003 0
	Si2 .0612 .1732 .3690 0.008 0.005 0.015 0.002 0.004 0.001
	S .2626 .5 .1123 0.015 0.011 0.014 0 0.007 0
	O1 .2217 .5 .3592 0.009 0.018 0.014 0 0.005 0
	O2 .3224 0 .4472 0.006 0.029 0.022 0 0.012 0
	O3 .1552 .1580 .4802 0.012 0.005 0.017 -.004 0.003 0.010
	O4 .1173 .1938 .2742 0.014 0.017 0.013 -.003 0.008 -.007
	O5 .4870 .1768 .3708 0.012 0.003 0.023 -.004 0.003 -.004
	O6 -.0011 0 .3571 0.010 0.002 0.013 0 0.011 0
	O7 .2851 .5 .0088 0.029 0.025 0.020 0 0.015 0
	O8 .1475 .5 .1018 0.022 0.038 0.026 0 0.005 0
	O9 .3101 .3581 .1728 0.034 0.016 0.025 0.010 0.017 0.008
	Wat1 .2754 0 .2143 0.009 0.017 0.006 0 0.004 0
	Wat2 .4460 .1742 .0967 0.019 0.026 0.030 0.002 0.001 -.002
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	Orientite
	Moore P B, Shen J, Araki T
	American Mineralogist 70 (1985) 171-181
	Crystal chemistry of the (M2)3+ phi2 sheet: Structural principles and crystal
	structures of ruizite, macfallite and orientite
	_database_code_amcsd 0000965
	9.074 19.130 6.121 90 90 90 Bbmm
	atom x y z occ
	Mn1 .25 0 .25
	Mn2 .4549 .25 .2499 .5
	Ca .6978 .1585 0
	Si1 .1057 .25 0 .5
	O1 .9833 .1808 0
	O2 .2049 .25 .2245
	Si2 .0301 .097 0
	O3 .1294 .0812 .2164
	O4 .8729 .0584 0
	OH5 .3677 .0308 0
	OH6 .4325 .1766 0 .5
	OH7 .4325 .1766 0 .5
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Macfallite
	Moore P B, Shen J, Araki T
	American Mineralogist 70 (1985) 171-181
	Crystal chemistry of the (M2)3+ phi2 sheet: Structural principles and crystal
	structures of ruizite, macfallite and orientite
	_database_code_amcsd 0000966
	10.235 6.086 8.970 90 110.8 90 P2_1/m
	atom x y z occ Biso
	Mn1 0 0 0 .61 1.8
	Al 0 0 0 .39 1.8
	Mn2 .5 0 0 2.36
	Mn3 0 0 .5 2.29
	Ca1 .6817 .25 .7954 2.85
	Ca2 .3128 .25 .6687 2.93
	Si1 .8107 .25 .1905 1.79
	O1 .6519 .25 .056 1.98
	O2 .9045 .25 .0778 2.63
	O3 .8387 .0332 .306 2.25
	Si2 .1956 .25 .2929 1.76
	O4 .1234 .25 .4279 2.17
	O5 .3648 .25 .3986 2.1
	O6 .1635 .0285 .1858 2.21
	Si3 .5029 .25 .3377 1.82
	O7 .6394 .25 .5073 1.99
	O8 .501 .0219 .2426 2.09
	OH9 .3795 .25 .9394 2.2
	OH10 .9324 .25 .586 2.16
	OH11 .0649 .25 .9036 2.56
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Ruizite
	Moore P B, Shen J, Araki T
	American Mineralogist 70 (1985) 171-181
	Crystal chemistry of the (M2)3+ phi2 sheet: Structural principles and crystal
	structures of ruizite, macfallite and orientite
	_database_code_amcsd 0000967
	9.064 6.171 11.976 90 91.4 90 C2/m
	atom x y z occ
	Mn .25 .25 0
	Ca .2054 .5 .2599
	Si1 .0355 0 .1513
	O1 .1328 .2165 .1291
	O2 .3748 .5 .0921
	O3 -.0063 0 .2857
	Si2 .1042 0 .3951
	O4 .2056 .215 .3954 .5
	OH5 .2056 .215 .3954 .5
	O6 0 0 .5
	OH7 .3674 0 .0459
	OH8 .4437 0 .2781
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Ashcroftine-(Y)
	Moore P B, Sen Gupta P K, Schlemper E O, Merlino S
	American Mineralogist 72 (1987) 1176-1189
	Ashcroftine, ca. K10Na10(Y,Ca)24(OH)4(CO3)16(Si56O140).16H2O, a
	structure with enormous polyanions
	Sample: investigated by Moore, Sen Gupta, Schlemper
	_database_code_amcsd 0001129
	23.994 23.994 17.512 90 90 90 I4/mmm
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Si1 .2414 .1510 .4128 .0229 .0096 .0080 .0026 -.0009 -.0031
	Si2 .2697 .0635 .2945 .0377 .0084 .0101 -.0028 .0060 -.0019
	Si3 .2188 .0630 .1339 .0320 .0097 .0133 -.0013 .0001 .0005
	O1 .2371 .0935 .3644 .0467 .0207 .0100 -.0010 .0124 -.0132
	O2 .2235 .0619 .2264 .0408 .0275 .0102 -.0061 .0019 -.0017
	O3 .3018 .1780 .4034 .0172 .0199 .0246 .0079 .0002 -.0074
	O4 .2682 .0970 .0958 .0266 .0184 .0202 .0012 -.0014 .0049
	O5 .3247 .0958 .2695 .0256 .0190 .0173 -.0050 .0084 -.0024
	O6 .1595 .0875 .1160 .0212 .0519 .0882 .0070 -.0076 .0296
	O7 .1912 .1912 .3848 .0192 .0192 .0021 .0135 -.0062 -.0062
	O8 .2297 .1322 .5 .0485 .0123 .0056 -.0780 0 0
	O9 .2807 0 .3205 .0490 .0086 .0201 0 .0039 0
	O10 .2200 0 .1033 .0884 .0049 .0154 0 -.0021 0
	C1 .4002 0 .1582 .0246 .0660 .0428 0 -.0040 0
	O11 .4261 .0469 .1713 .0446 .0435 .0627 .0004 .0024 .0003
	O12 .3529 0 .1315 .0288 .1579 .0423 0 -.0135 0
	C2 .3709 .0923 .5 .0499 .0597 .0219 .0217 0 0
	O13 .3596 .0693 .4353 .0501 .0282 .0148 .0083 -.0053 -.0036
	O14 .3932 .1411 .5 .0356 .0229 .0245 -.0101 0 0
	OH1 .2473 .2473 .5 .0083 .0083 .0005 .0018 0 0
	OW1 .1264 .1264 .2782 .0904 .0904 .0328 .0697 -.0417 -.0417
	OW2 .5 0 0 .0345 .0380 .0178 0 0 0
	Y1 .3556 .1152 .1468 .0167 .0277 .0113 .0052 .0000 .0035
	Y2 .2679 .1618 0 .0181 .0149 .0114 .0003 0 0
	K1 .2704 0 .5 .0493 .0854 .0428 0 0 0
	K2 .3057 0 0 .0662 .0669 .0411 0 0 0
	Na1 .5 0 .25 .0258 .0258 .0679 0 0 0
	SiT1D .1336 .1336 .0622 .38 .0037 .0037 .0013 .0002 .0146 .0146
	SiT2D .0986 .0986 .0905 .39 .0134 .0134 .0071 -.0074 -.0032 -.0032
	K1D .2158 .2158 .2057 .30 .1510 .1510 .0963 -.0665 -.0014 -.0014
	Na1D .4181 0 .3924 .45 .0295 .0236 .0558 0 .0069 0
	Na2D .3900 0 .3585 .28 .0496 .0001 .0618 0 .0201 0
	Na3D 0 0 0 .42 -.0313 -.0313 .7257 0 0 0
	OH1D .1859 .1859 .0772 .49 .0286 .0286 .0663 -.0049 .0307 .0307
	OH2D .0532 .0532 .1270 .30 .0344 .0344 .0353 -.0506 .0054 .0054
	OH3D .1441 .1086 0 .13 .0001 .0167 .0001 -.0047 0 0
	O4D .0983 .0983 0 .54 .0496 .0496 .0001 -.0280 0 0
	OH5D .1036 0 0 .36 .0429 .0022 .1354 0 0 0
	OH6D .1733 .1733 0 .50 .0222 .0222 .1546 .0048 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
	Ashcroftine-(Y)
	Moore P B, Sen Gupta P K, Schlemper E O, Merlino S
	American Mineralogist 72 (1987) 1176-1189
	Ashcroftine, ca. K10Na10(Y,Ca)24(OH)4(CO3)16(Si56O140).16H2O, a
	structure with enormous polyanions
	Sample: investigated by Merlino
	_database_code_amcsd 0001130
	24.039 24.039 17.538 90 90 90 I4/mmm
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Si1 .2417 .1513 .4127 .0175 .0134 .0109 .0036 .0004 -.0016
	Si2 .2696 .0637 .2940 .0284 .0099 .0152 -.0045 .0066 -.0020
	Si3 .2186 .0631 .1338 .0230 .0119 .0223 -.0003 -.0041 .0007
	O1 .2368 .0943 .3634 .0231 .0163 .0223 -.0041 .0060 -.0035
	O2 .2247 .0622 .2256 .1313 .0362 .0245 .0228 -.0032 .0018 -.0058
	O3 .3016 .1784 .4025 .1105 .0179 .0211 .0258 .0017 .0015 -.0034
	O4 .2684 .0961 .0950 .0288 .0217 .0253 .0009 .0014 .0050
	O5 .3254 .0952 .2700 .0213 .0194 .0257 -.0025 .0077 -.0035
	O6 .1591 .0885 .1153 .0249 .0491 .1210 -.0054 -.0083 .0331
	O7 .1905 .1905 .3839 .0135 .0135 .0212 .0053 -.0029 -.0029
	O8 .2293 .1320 .5 .0312 .0352 .0155 .0153 -.0048 0 0
	O9 .2811 0 .3215 .077 .0439 .0154 .0232 0 .0055 0
	O10 .2189 0 .1014 .0883 .0202 .0235 0 -.0120 0
	C1 .4027 0 .1574 .0329 .0521 .0262 0 -.0023 0
	O11 .4271 .0468 .1698 .0414 .0293 .0630 -.0004 .0011 .0005
	O12 .3518 0 .1320 .0235 .1202 .0590 0 -.0054 0
	C2 .3709 .0919 .5 .0273 .0233 .0273 .0034 0 0
	O13 .3590 .0686 .4361 .0468 .0245 .0180 .0035 .0029 -.0004
	O14 .3944 .1398 .5 .0303 .0184 .0236 -.0044 0 0
	OH1 .2475 .2475 .5 .0147 .0147 .0267 .0075 0 0
	OW1 .1285 .1285 .2784 .0386 .0386 .0157 .0263 -.0228 -.0228
	OW2 .5 0 0 .0304 .0610 .0189 0 0 0
	Y1 .3559 .1145 .1465 .89 .0129 .0194 .0125 .0031 -.0009 .0029
	Ca1 .3559 .1145 .1465 .11 .0129 .0194 .0125 .0031 -.0009 .0029
	Y2 .2677 .1616 0 .79 .0151 .0127 .0110 .0005 0 0
	Ca2 .2677 .1616 0 .21 .0151 .0127 .0110 .0005 0 0
	K1 .2696 0 .5 .0573 .0364 .0490 0 0 0
	K2 .3055 0 0 .0505 .0605 .0376 0 0 0
	Na1 .5 0 .25 .0206 .0206 .0593 0 0 0
	SiT1D .1344 .1344 .0675 .20 .0223
	BT1D .1344 .1344 .0675 .52 .0223
	SiT2D .0986 .0986 .0901 .28 .0258
	K1D .2146 .2146 .2089 .25 .0930 .0930 .0897 -.0279 -.0116 -.0116
	Na1D .4210 0 .3946 .5 .0404 .0527 .0905 0 .0191 0
	Na2D .3902 0 .3611 .5 .0571 .0148 .1366 0 -.0629 0
	Na3D 0 0 .0322 .4 .0266
	OH1D .1835 .1835 .0746 .61
	OH2D .0545 .0545 .1238 .28
	OH3D .1426 .1124 0 .31 .079
	O4D .0948 .0948 0 .63 .0623
	OH5D .1099 0 0 .66
	OH6D .1776 .1776 0 .49
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	Akrochordite
	Moore P B, Sen Gupta P K, Schlemper E O
	American Mineralogist 74 (1989) 256-262
	Akrochordite, (Mn,Mg)5(OH)4(H2O)4(AsO4)2: A sheet structure with amphibole walls
	_database_code_amcsd 0001206
	5.682 17.627 6.832 90 99.49 90 P2_1/c
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mn1 0 0 0 0.0163 0.0195 0.0150 -.0003 -.0030 .0064
	Mn2 .4758 .0618 .7967 0.0120 0.0144 0.0171 .0006 -.0036 .0043
	Mn3 -.0566 .1315 .6470 0.0159 0.0163 0.0099 .0008 -.0016 .0015
	As .3683 .1185 .3188 0.0118 0.0102 0.0049 .0002 -.0037 .0004
	O1 .3512 .0470 .1483 0.0168 0.0106 0.0116 -.0001 -.0063 -.0032
	O2 .5791 .0965 .5149 0.0142 0.0211 0.0086 .0005 -.0070 .0054
	O3 .1033 .1335 .3884 0.0233 0.0254 0.0091 .0037 .0034 .0019
	O4 .4380 .1973 .2037 0.0218 0.0101 0.0112 -.0022 .0013 -.0003
	OH5 .1252 .0235 .7272 0.0182 0.0115 0.0062 .0009 -.0012 -.0010
	OH6 .8144 .1036 .9175 0.0153 0.0131 0.0056 .0001 -.0022 .0002
	Wat1 .2964 .1734 .8232 0.0185 0.0128 0.0084 -.0028 -.0037 -.0009
	Wat2 .8588 .2483 .1566 0.0176 0.0163 0.0174 -.0007 -.0034 .0006
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	Kornerupine
	Moore P B, Sen Gupta P K, Schlemper E O
	American Mineralogist 74 (1989) 642-655
	Kornerupine: Chemical crystallography, comparative crystallography, and its
	cation relation to olivine and to Ni2In intermetallic
	_database_code_amcsd 0001247
	16.041 13.746 6.715 90 90 90 Cmcm
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	MgX 0 0 0 .374 0.0641 0.0162 0.0138 0 0 -.0002
	Mg1 .12176 .14031 .25 0.0119 0.0086 0.0066 .0022 0 0
	Mg2 .5 .14563 .25 0.0039 0.0045 0.0110 0 0 0
	Al3 .21536 0 0 0.0070 0.0061 0.0025 0 0 -.0007
	Al4 .31366 .14182 .25 .810 0.0076 0.0077 0.0094 -.0003 0 0
	Fe4 .31366 .14182 .25 .190 0.0076 0.0077 0.0094 -.0003 0 0
	Al5 .40756 0 0 0.0059 0.0056 0.0034 0 0 -.0006
	Si1 .40202 .35299 .25 0.0042 0.0052 0.0040 .0010 0 0
	Si2 .17842 .33375 .25 .766 0.0160 0.0056 0.0035 -.0016 0 0
	Al2 .17842 .33375 .25 .234 0.0160 0.0056 0.0035 -.0016 0 0
	Si3 0 .34253 .25 .572 0.0036 0.0067 0.0032 0 0 0
	B3 0 .34253 .25 .428 0.0036 0.0067 0.0032 0 0 0
	O1 .2240 .0448 .25 0.0083 0.0069 0.0033 .0003 0 0
	O2 .40367 .0460 .25 0.0072 0.0062 0.0035 -.0008 0 0
	O3 .40283 .2355 .25 0.0089 0.0061 0.0111 .0017 0 0
	O4 .13818 .09959 -.0515 0.0106 0.0097 0.0042 .0041 -.0015 .0005
	O5 .2338 .2358 .25 0.0219 0.0135 0.0103 -.0001 0 0
	O6 .31671 .09479 -.0471 0.0072 0.0084 0.0072 .0007 -.0004 .0000
	O7 .0824 .2821 .25 0.0146 0.0158 0.0085 -.0086 0 0
	O8 .5 .0885 -.0541 0.0053 0.0058 0.0096 0 0 .0006
	O9 0 .1128 -.25 0.0048 0.0128 0.0226 0 0 0
	OH10 0 .0882 .25 0.0083 0.0131 0.0177 0 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
	Magnetoplumbite
	Moore P B, Sen Gupta P K, Le Page Y
	American Mineralogist 74 (1989) 1186-1194
	Magnetoplumbite, PbFe12O19: Refinement and lone-pair splitting
	Note: Symmetry constraints on U(i,j) for Fe5, O4 and O5 were incorrect,
	and likely were refined wrong.
	They have been replaced with their isotropic equivalents.
	_database_code_amcsd 0001279
	5.873 5.873 23.007 90 90 120 P6_3/mmc
	atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb .720 .384 .25 .167 0.0218 0.0115 0.0229 0.0068 0 0
	Fe1 0 0 0 0.0070 0.0070 0.0045 0.0035 0 0
	Fe2 0 0 .2559 .5 0.0104 0.0104 0.0026 0.0052 0 0
	Fe3 1/3 2/3 .02733 0.0060 0.0060 0.0038 0.0030 0 0
	Fe4 1/3 2/3 .19019 0.0076 0.0076 0.0043 0.0038 0 0
	Fe5 .1687 -.1687 -.10881 .47
	O1 0 0 .1511 0.0113 0.0113 0.0015 .00565 0 0
	O2 1/3 2/3 -.0546 0.0056 0.0056 0.0052 0.0028 0 0
	O3 .1839 -.1839 .25 1.01
	O4 .1565 -.1565 .0524 .47
	O5 .5035 -.5035 .1499 .51
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Kentrolite
	Moore P B, Sen Gupta P K, Shen J, Schlemper E O
	American Mineralogist 76 (1991) 1389-1399
	The kentrolite-melanotekite series, 4Pb2(Mn,Fe)2O2[Si2O7]: Chemical
	crystallographic relations, lone-pair splitting, and cation relation to 8URe2
	_database_code_amcsd 0001395
	6.961 11.018 9.964 90 90 90 Pbcn
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb1 .4561 .3012 .5500 .73 .0167 .0091 .0096 .0003 -.0011 -.0016
	Pb2 .5351 .3098 .5475 .27 .0267 .0075 .0064 .0039 .0015 -.0004
	Mn1 .5 0 0 .68 .0099 .0060 .0062 .0009 -.0015 -.0017
	Fe1 .5 0 0 .32 .0099 .0060 .0062 .0009 -.0015 -.0017
	Mn2 .5 .1482 .25 .68 .0083 .0080 .0054 0 -.0011 0
	Mn2 .5 .1482 .25 .32 .0083 .0080 .0054 0 -.0011 0
	Si .2140 -.0907 .2528 .0078 .0046 .0066 .0013 -.0009 .0005
	O1 .3402 .0054 .3361 .0116 .0072 .0094 -.0079 -.0013 -.0057
	O2 .2995 -.1135 .1031 .0251 .0083 .0087 -.0054 .0034 -.0075
	O3 .1888 -.2217 .3272 .0126 .0125 .0094 -.0051 -.0011 .0040
	O4 0 -.0286 .25 .0059 .0109 .0546 0 .0001 0
	O5 .6094 .1442 .4227 .0167 .0034 .0039 -.0010 -.0018 .0001
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Langbanite
	Moore P B, Sen Gupta P K, Le Page Y
	American Mineralogist 76 (1991) 1408-1425
	The remarkable langbanite structure type: Crystal structure, chemical
	crystallography and relation to some other cation close-packed structures
	_database_code_amcsd 0001397
	11.563 11.563 11.100 90 90 120 P31m
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mn1 .8312 0 .9950 0.0167 0.0167 0.0431 0.0117 0.0129 0.0129
	Mn2 .5002 .3284 .9878 0.0088 0.0066 0.0130 0.0039 -.0016 -.0002
	Sb .34355 0 .99100 0.0072 0.0072 0.0060 0.0028 -.0009 -.0009
	O1 0 0 .0776 0.015 0.015 0.008 0.0075 0 0
	O2 2/3 1/3 .0812 0.006 0.006 0.003 0.003 0 0
	O3 .4947 0 .0821 0.006 0.006 0.010 -0.003 0.000 0.000
	O4 .3458 .1449 .0850 0.009 0.011 0.013 0.007 0.001 -0.001
	O5 .1923 0 .9015 0.018 0.018 0.012 0.007 0.000 0.000
	O6 .6696 0 .8975 0.015 0.015 0.014 0.008 -0.001 -0.001
	O7 .4879 .1489 .8960 0.012 0.015 0.006 0.007 0.002 -0.001
	Mn3 .5272 0 .2561 -.0002 -.0002 0.0062 -.0023 -.0005 -.0005
	Mn4 .3297 .1550 .2593 0.0062 0.0009 0.0055 0.0030 0.0004 0.0009
	Si1 0 0 .2286 0.008 0.008 0.004 0.004 0 0
	Si2 2/3 1/3 .2319 0.004 0.004 0.018 0.002 0 0
	O8 .1317 0 .2792 0.007 0.007 0.012 0.002 0.004 0.004
	O9 .3587 0 .2887 0.000 0.000 0.003 -0.001 .000 0.000
	O10 .6996 0 .2259 0.004 0.004 0.016 0.005 0.005 0.005
	O11 .5441 0 .4348 0.003 0.003 0.016 0.001 -0.001 -0.001
	O12 .5342 .3291 .2821 0.005 0.010 0.003 0.005 0.003 -0.001
	O13 .3252 .1841 .4355 0.006 0.007 0.011 0.002 -0.001 0.000
	Mn5 .3396 0 .4922 0.0114 0.0114 0.0086 0.007 .000 0.000
	Mn6 .8363 0 .4995 0.0073 0.0073 0.0145 0.004 0.002 0.002
	Mn7 .4948 .3252 .4862 0.0066 0.0059 0.0097 0.0029 -.0015 -.0007
	O14 .1388 0 .5605 0.021 0.021 0.006 0.011 0.001 0.001
	O15 .3308 0 .6921 0.052 0.052 0.015 0.027 -0.008 -0.008
	O16 .7946 0 .7031 0.087 0.087 0.049 0.072 .000 0.000
	O17 .5293 .1929 .5424 0.014 0.010 0.008 0.008 0.003 0.000
	O18 .4419 .3127 .6940 0.148 0.216 0.042 0.152 0.019 0.024
	Mn8 .1670 0 .7324 0.0343 0.0343 0.0050 0.0282 0.0005 0.0005
	Mn9 .5041 .1674 .7212 0.0241 0.0263 0.0081 0.0191 0.0017 0.0019
	Si3 .6680 0 .7529 0.009 0.009 0.006 0.004 -0.001 -0.001
	O19 2/3 1/3 .7551 0.060 0.060 0.003 0.030 0 0
	O20 0 0 .7749 0.242 0.242 -.010 0.121 0 0
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	Khmaralite
	Barbier J, Grew E S, Moore P B, Su S-C
	American Mineralogist 84 (1999) 1650-1660
	Khmaralite, a new beryllium-bearing mineral related to sapphirine:
	A superstructure resulting from partial ordering of Be, Al and Si on
	tetrahedral sites
	_database_code_amcsd 0002331
	16.115 14.371 11.254 90 90.90 90 P2_1/c
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Fe1 .06767 .15950 -.05979 .04 .0062 .0047 .0051 .0002 .0007 -.0002
	Al1 .06767 .15950 -.05979 .96 .0062 .0047 .0051 .0002 .0007 -.0002
	Fe2 .30694 .15904 -.31654 .02 .0059 .0050 .0052 .0002 .0009 .0005
	Al2 .30694 .15904 -.31654 .98 .0059 .0050 .0052 .0002 .0009 .0005
	Fe3 .18813 .05663 -.18449 .07 .0060 .0038 .0064 .0000 .0013 -.0002
	Al3 .18813 .05663 -.18449 .93 .0060 .0038 .0064 .0000 .0013 -.0002
	Fe4 .43951 .05696 -.43855 .24 .0066 .0033 .0076 .0001 .0023 .0005
	Mg4 .43951 .05696 -.43855 .76 .0066 .0033 .0076 .0001 .0023 .0005
	Fe5 .07223 .36836 -.06464 .18 .0078 .0040 .0049 .0003 .0005 -.0003
	Mg5 .07223 .36836 -.06464 .57 .0078 .0040 .0049 .0003 .0005 -.0003
	Al5 .07223 .36836 -.06464 .25 .0078 .0040 .0049 .0003 .0005 -.0003
	Fe6 .30409 .37321 -.31160 .21 .0061 .0058 .0053 .0003 .0004 -.0005
	Mg6 .30409 .37321 -.31160 .79 .0061 .0058 .0053 .0003 .0004 -.0005
	Fe7 .43740 .25938 -.43755 .03 .0079 .0039 .0046 .0001 .0006 -.0001
	Al7 .43740 .25938 -.43755 .97 .0079 .0039 .0046 .0001 .0006 -.0001
	Fe8 .43783 .24859 -.18710 .03 .0068 .0050 .0044 -.0006 .0005 -.0005
	Al8 .43783 .24859 -.18710 .97 .0068 .0050 .0044 -.0006 .0005 -.0005
	Fe9 .56946 .15861 -.55686 .07 .0056 .0055 .0054 -.0005 .0013 -.0011
	Mg9 .56946 .15861 -.55686 .27 .0056 .0055 .0054 -.0005 .0013 -.0011
	Al9 .56946 .15861 -.55686 .66 .0056 .0055 .0054 -.0005 .0013 -.0011
	Fe10 .80404 .15344 -.82020 .10 .0057 .0049 .0059 .0001 .0013 .0010
	Mg10 .80404 .15344 -.82020 .17 .0057 .0049 .0059 .0001 .0013 .0010
	Al10 .80404 .15344 -.82020 .73 .0057 .0049 .0059 .0001 .0013 .0010
	Fe11 .68715 .05624 -.68682 .15 .0056 .0039 .0073 .0000 .0018 .0000
	Mg11 .68715 .05624 -.68682 .61 .0056 .0039 .0073 .0000 .0018 .0000
	Al11 .68715 .05624 -.68682 .24 .0056 .0039 .0073 .0000 .0018 .0000
	Fe12 .93494 .05719 -.93847 .17 .0066 .0033 .0075 -.0002 .0025 .0003
	Mg12 .93494 .05719 -.93847 .83 .0066 .0033 .0075 -.0002 .0025 .0003
	Fe13 .57726 .37211 -.56684 .28 .0081 .0050 .0051 .0019 .0003 -.0012
	Mg13 .57726 .37211 -.56684 .72 .0081 .0050 .0051 .0019 .0003 -.0012
	Fe14 .79912 .37061 -.80751 .25 .0075 .0044 .0060 -.0004 -.0008 .0008
	Mg14 .79912 .37061 -.80751 .75 .0075 .0044 .0060 -.0004 -.0008 .0008
	Fe15 .93696 .25841 -.93826 .04 .0077 .0042 .0043 -.0001 .0008 .0000
	Al15 .93696 .25841 -.93826 .96 .0077 .0042 .0043 -.0001 .0008 .0000
	Fe16 .93620 .24922 -.68757 .04 .0068 .0048 .0045 -.0005 .0004 -.0001
	Al16 .93620 .24922 -.68757 .96 .0068 .0048 .0045 -.0005 .0004 -.0001
	Al1 .12523 .55322 .07500 .73 .0059 .0032 .0045 .0002 .0005 .0001
	Si1 .12523 .55322 .07500 .27 .0059 .0032 .0045 .0002 .0005 .0001
	Al2 .37853 .55263 -.17448 .33 .0062 .0029 .0046 .0001 .0007 -.0001
	Si2 .37853 .55263 -.17448 .16 .0062 .0029 .0046 .0001 .0007 -.0001
	Be2 .37853 .55263 -.17448 .51 .0062 .0029 .0046 .0001 .0007 -.0001
	Al3 .25517 .44937 -.05142 .04 .0062 .0033 .0041 .0001 .0001 -.0003
	Si3 .25517 .44937 -.05142 .78 .0062 .0033 .0041 .0001 .0001 -.0003
	Be3 .25517 .44937 -.05142 .18 .0062 .0033 .0041 .0001 .0001 -.0003
	Al4 .49964 .44408 -.29784 .38 .0061 .0033 .0045 -.0010 .0002 .0004
	Si4 .49964 .44408 -.29784 .59 .0061 .0033 .0045 -.0010 .0002 .0004
	Be4 .49964 .44408 -.29784 .03 .0061 .0033 .0045 -.0010 .0002 .0004
	Al5 .37776 .75132 -.18975 .61 .0048 .0061 .0031 .0003 .0006 .0000
	Si5 .37776 .75132 -.18975 .37 .0048 .0061 .0031 .0003 .0006 .0000
	Fe5 .37776 .75132 -.18975 .02 .0048 .0061 .0031 .0003 .0006 .0000
	Al6 .25335 .24640 -.06537 .76 .0052 .0050 .0037 -.0006 .0006 -.0001
	Si6 .25335 .24640 -.06537 .22 .0052 .0050 .0037 -.0006 .0006 -.0001
	Fe6 .25335 .24640 -.06537 .02 .0052 .0050 .0037 -.0006 .0006 -.0001
	Al7 .62550 .55428 -.42714 .61 .0063 .0031 .0047 -.0003 -.0003 .0005
	Si7 .62550 .55428 -.42714 .39 .0063 .0031 .0047 -.0003 -.0003 .0005
	Si8 .87702 .55249 -.67401 .95 .0059 .0033 .0040 .0003 .0003 -.0002
	Be8 .87702 .55249 -.67401 .05 .0059 .0033 .0040 .0003 .0003 -.0002
	Al9 .75273 .45194 -.54963 .30 .0061 .0034 .0051 .0001 .0007 .0000
	Be9 .75273 .45194 -.54963 .70 .0061 .0034 .0051 .0001 .0007 .0000
	Al10 .00003 .44167 .19962 .96 .0061 .0032 .0044 -.0002 .0004 .0000
	Si10 .00003 .44167 .19962 .04 .0061 .0032 .0044 -.0002 .0004 .0000
	Al11 .87801 .75577 -.68986 .85 .0054 .0045 .0039 .0002 .0005 .0003
	Si11 .87801 .75577 -.68986 .12 .0054 .0045 .0039 .0002 .0005 .0003
	Fe11 .87801 .75577 -.68986 .03 .0054 .0045 .0039 .0002 .0005 .0003
	Al12 .75220 .25148 -.56486 .09 .0050 .0056 .0035 -.0003 .0006 -.0001
	Si12 .75220 .25148 -.56486 .91 .0050 .0056 .0035 -.0003 .0006 -.0001
	O1 .43926 -.25671 -.56405 .0075 .0057 .0066 -.0005 .0010 -.0005
	O2 .18532 -.25032 -.31536 .0067 .0067 .0067 -.0005 .0003 .0001
	O3 .06258 .05891 .05554 .0071 .0051 .0038 .0002 -.0005 .0005
	O4 .30918 .05977 -.19645 .0088 .0073 .0065 -.0009 .0006 .0010
	O5 .18201 .15655 -.07024 .0067 .0107 .0058 .0003 .0009 .0002
	O6 .07843 -.16963 -.18107 .0069 .0039 .0043 .0001 .0004 -.0003
	O7 .18993 -.04900 -.07531 .0072 .0096 .0047 .0003 .0006 -.0002
	O8 .06767 .06083 -.17604 .0083 .0049 .0049 -.0005 -.0004 -.0004
	O9 .44138 -.25268 -.31211 .0071 .0056 .0076 -.0002 -.0004 .0009
	O10 .18724 -.25433 -.05834 .0067 .0074 .0062 .0007 .0004 -.0001
	O11 .43859 -.46189 -.28915 .0087 .0058 .0073 .0010 .0017 -.0004
	O12 .19011 -.46087 -.04654 .0102 .0059 .0063 .0010 .0012 -.0002
	O13 .19399 .15396 -.30292 .0062 .0067 .0066 .0002 .0009 -.0004
	O14 .04996 -.16834 .05750 .0061 .0043 .0036 .0003 .0007 .0002
	O15 .32622 -.35101 -.18823 .0078 .0038 .0067 .0000 .0006 .0003
	O16 .06357 -.34607 .06499 .0082 .0046 .0044 -.0001 .0007 .0004
	O17 .43946 -.45906 -.58271 .0116 .0064 .0086 .0008 -.0009 -.0016
	O18 .18583 -.46500 -.33301 .0083 .0049 .0072 -.0018 .0005 -.0005
	O19 .29676 -.35167 -.43684 .0083 .0049 .0074 .0008 .0011 -.0003
	O20 .06670 -.34461 -.18930 .0081 .0035 .0046 -.0003 .0009 -.0007
	O21 .94132 -.25604 -.05983 .0064 .0048 .0044 -.0001 -.0001 -.0002
	O22 .68156 -.25199 -.80959 .0069 .0053 .0058 .0000 .0000 -.0007
	O23 .56476 .05920 -.44776 .0077 .0064 .0061 .0001 -.0006 -.0002
	O24 .81161 .05192 -.70281 .0086 .0097 .0062 -.0018 .0000 .0009
	O25 .68466 .16572 -.56825 .0077 .0100 .0068 .0004 .0004 .0001
	O26 .57580 -.16952 -.68162 .0065 .0041 .0041 -.0001 .0006 -.0002
	O27 .68734 -.05750 -.57214 .0079 .0064 .0059 .0006 .0004 -.0012
	O28 .56270 .06166 -.67674 .0094 .0067 .0069 .0001 .0013 -.0002
	O29 .94415 -.25161 -.81537 .0060 .0047 .0044 .0004 .0009 .0004
	O30 .68465 -.25652 -.56440 .0070 .0051 .0056 .0007 .0006 .0005
	O31 .93602 -.45973 -.78993 .0085 .0045 .0058 .0013 .0014 .0003
	O32 .68424 -.46186 -.54871 .0094 .0079 .0073 .0019 .0020 .0008
	O33 .69073 .16136 -.80738 .0108 .0107 .0062 -.0028 .0005 -.0003
	O34 .54805 -.17164 -.44298 .0071 .0050 .0039 .0003 .0005 .0006
	O35 .82433 -.35166 -.68688 .0063 .0033 .0065 .0002 .0005 .0003
	O36 .56172 -.34792 -.43582 .0120 .0052 .0050 -.0016 .0000 .0006
	O37 .93915 -.45726 -.07569 .0086 .0053 .0066 -.0008 .0012 -.0007
	O38 .68573 -.46402 -.83218 .0085 .0054 .0057 -.0014 .0010 -.0006
	O39 .79933 -.35256 -.93602 .0078 .0050 .0071 .0010 .0009 -.0004
	O40 .56128 -.34735 -.68979 .0091 .0046 .0055 .0006 .0006 -.0005
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	Philolithite
	Moore P B, Kampf A R, Sen Gupta P K
	American Mineralogist 85 (2000) 810-816
	The crystal structure of philolithite, a trellis-like open
	framework based on cubic closest-packing of anions
	_database_code_amcsd 0002461
	12.627 12.627 12.595 90 90 90 *P4_2/nnm
	-.25 .25 -.25
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb1 .05999 -.05999 .61863 .0141 .0142 .0142 .0139 .0015 -.0003 .0003
	Pb2 .40559 .26285 .59807 .0130 .0141 .0140 .0110 .0004 -.0013 .0013
	Mn1 3/4 .25 3/4 .016 .018 .018 .012 0 0 0
	Mn2 0 0 0 .46 .015 .014 .014 .019 -.008 .003 -.003
	Mg2 0 0 0 .54 .015 .014 .014 .019 -.008 .003 -.003
	Mn3 .1660 -.1660 .9841 .68 .012 .011 .011 .012 -.000 -.001 .001
	Mg3 .1660 -.1660 .9841 .32 . 012 .011 .011 .012 -.000 -.001 .001
	S 3/4 .25 .25 .014 .016 .016 .012 0 0 0
	C .092 -.092 .211 .011
	O1 .682 -.682 .184 .024
	O2 .152 -.152 .160 .027
	O3 .027 -.027 .160 .022
	O4 .092 -.092 .313 .032
	O5 .25 .25 0 .014
	O6 .083 .083 .5 .005
	OH7 .167 -.167 .497 .014
	OH8 .166 .003 .970 .012
	Cl .0968 .25 .25 .023 .025 .032 .012 0 0 -.004
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Mimetite
	Yongshan D, Hughes J M, Moore P B
	The Canadian Mineralogist 29 (1991) 369-376
	The crystal structures of mimetite and clinomimetite, Pb5(AsO4)3Cl
	Locality: Durango, Mexico
	_database_code_amcsd 0005264
	10.211 10.211 7.4185 90 90 120 P6_3/m
	atom x y z Uiso
	Pb1 1/3 2/3 .5070 .0143
	Pb2 .0047 .2511 1/4 .0149
	As .3837 .4091 1/4 .0059
	O1 .495 .328 1/4 .0218
	O2 .486 .604 1/4 .0166
	O3 .275 .359 .067 .0409
	Cl 0 0 0 .0205
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Mimetite-M
	Yongshan D, Hughes J M, Moore P B
	The Canadian Mineralogist 29 (1991) 369-376
	The crystal structures of mimetite and clinomimetite, Pb5(AsO4)3Cl
	Locality: Johanngeorgenstat, Erzgebirge, Sachsen, Germany
	_database_code_amcsd 0005265
	10.1891 20.3723 7.4564 90 90 119.8827 P2_1/b
	atom x y z Uiso
	Pb1A .6694 .41415 .0071 .0144
	Pb1B .3367 .58059 .5059 .0142
	Pb2A .0045 .37558 .2364 .0143
	Pb2B .2527 .37298 .7383 .0157
	Pb2C .2466 .74861 .2723 .0137
	AsA .3840 .4545 .2545 .0161
	AsB .4103 .2633 .7533 .0150
	AsC .0248 .5580 .2449 .0123
	O1A .494 .413 .250 .0194
	O1B .331 .667 .760 .0272
	O1C .839 .504 .249 .0156
	O2A .486 .5486 .232 .0074
	O2B .603 .310 .742 .0382
	O2C .109 .505 .278 .0145
	O3A .256 .422 .089 .0240
	O3B .619 .710 .052 .0410
	O3C .085 .599 .050 .0286
	O3D .288 .440 .449 .0312
	O3E .651 .705 .415 .0029
	O3F .084 .623 .407 .0141
	Cl .008 .2505 .490 .0204
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Clinomimetite
	Yongshan D, Hughes J M, Moore P B
	The Canadian Mineralogist 29 (1991) 369-376
	The crystal structures of mimetite and clinomimetite, Pb5(AsO4)3Cl
	Locality: Johanngeorgenstat, Erzgebirge, Sachsen, Germany
	_database_code_amcsd 0005266
	10.1891 20.3723 7.4564 90 90 119.8827 P2_1/b
	atom x y z Uiso
	Pb1A .6694 .41415 .0071 .0144
	Pb1B .3367 .58059 .5059 .0142
	Pb2A .0045 .37558 .2364 .0143
	Pb2B .2527 .37298 .7383 .0157
	Pb2C .2466 .74861 .2723 .0137
	AsA .3840 .4545 .2545 .0161
	AsB .4103 .2633 .7533 .0150
	AsC .0248 .5580 .2449 .0123
	O1A .494 .413 .250 .0194
	O1B .331 .667 .760 .0272
	O1C .839 .504 .249 .0156
	O2A .486 .5486 .232 .0074
	O2B .603 .310 .742 .0382
	O2C .109 .505 .278 .0145
	O3A .256 .422 .089 .0240
	O3B .619 .710 .052 .0410
	O3C .085 .599 .050 .0286
	O3D .288 .440 .449 .0312
	O3E .651 .705 .415 .0029
	O3F .084 .623 .407 .0141
	Cl .008 .2505 .490 .0204
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	Grandidierite
	Stephenson D A, Moore P B
	Acta Crystallographica B24 (1968) 1518-1522
	The crystal structure of grandidierite, (Mg,Fe)Al3SiBO9
	Locality: Fort Dauphin, Madagascar
	_database_code_amcsd 0009346
	10.335 10.978 5.760 90 90 90 Pbnm
	atom x y z occ Biso
	Mg .0933 .2188 .25 .90 .53
	Fe .0933 .2188 .25 .10 .53
	All 0 0 0 .39
	Al2 .5 0 0 .39
	Al3 .2262 .4478 .25 .33
	Si .4339 .2633 .25 .27
	B .2508 .0003 .75 .30
	O1 .2760 .2881 .25 .35
	O2 .1187 .0218 .25 .62
	O3 .1217 -.0036 .75 .57
	O4 .4737 .1211 .25 .33
	O5 .5460 .0992 .75 .47
	O6 -.0077 .1703 -.0239 .53
	O7 .1804 .5019 -.0462 .62
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	Fresnoite
	Moore P B, Louisnathan S J
	Zeitschrift fur Kristallographie 130 (1969) 438-448
	The crystal structure of fresnoite, Ba2(TiO)Si2O7
	Positive polarity
	Locality: sanbornite deposits of eastern Fresno County, California, USA
	_database_code_amcsd 0010704
	8.518 8.518 5.211 90 90 90 P4bm
	atom x y z Biso
	Ba .3272 .8272 0 .89
	Ti 0 0 .5414 .17
	Si .1282 .6282 .5207 .37
	O1 0 .5 .6183 1.80
	O2 .1236 .6236 .2125 .51
	O3 .2896 .5762 .6584 1.29
	O4 0 0 .2278 .94
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	Fresnoite
	Moore P B, Louisnathan S J
	Zeitschrift fur Kristallographie 130 (1969) 438-448
	The crystal structure of fresnoite, Ba2(TiO)Si2O7
	Negative polarity
	Locality: sanbornite deposits of eastern Fresno County, California, USA
	_database_code_amcsd 0010705
	8.518 8.518 5.211 90 90 90 P4bm
	atom x y z Biso
	Ba .3272 .8272 0 .89
	Ti 0 0 .5385 .17
	Si .1281 .6281 .5136 .39
	O1 0 .5 .6091 1.66
	O2 .1241 .6241 .2019 .47
	O3 .2897 .5758 .6496 1.23
	O4 0 0 .2178 .96
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	Ca3Mn2Si4O14
	Moore P B, Araki T
	Zeitschrift fur Kristallographie 150 (1979) 287-297
	Crystal structure of synthetic Ca3Mn2O2[Si4O12]
	Note: stable only at P greater than 1.3 GPa
	_database_code_amcsd 0010816
	14.263 7.620 10.025 90 93.27 90 I2/c
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ca1 0 .33998 .25 1.02 .00184 .00391 .00171 0 .00069 0
	Ca2 .19855 .03078 .23912 .72 .00096 .00315 .00163 -.00030 .00020 -.00028
	Mn1 0 0 0 .45 .00064 .00215 .00084 .00005 .00011 .00013
	Mn2 0 .78757 .25 .53 .00076 .00233 .00109 0 -.00013 0
	Si1 .32307 .21004 .98037 .49 .00071 .00206 .00101 .00000 .00000 .00000
	Si2 .37343 .16181 .52021 .51 .00069 .00226 .00112 -.00002 .00007 .00006
	O1 .33375 .00688 .92714 .78 .00138 .00262 .00149 .00030 -.00034 -.00012
	O2 .27879 .22938 .59499 .76 .00075 .00463 .00151 .00027 .00000 .00018
	O3 .31786 .21005 .13822 .79 .00138 .00329 .00121 -.00015 .00024 -.00003
	O4 .44706 .09704 .63703 .72 .00116 .00241 .00159 -.00005 -.00039 .00005
	O5 .10262 .16276 .58584 .71 .00097 .00278 .00186 -.00035 .00027 -.00003
	O6 .08675 .20621 .08829 .72 .00115 .00278 .00141 -.00017 .00005 .00012
	O7 .06569 .03690 .84803 .78 .00101 .00428 .00135 .00051 .00034 .00081
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	Wilhelmkleinite
	Adiwidjaja G, Friese K, Klaska K H, Moore P B, Schluter J
	Zeitschrift fur Kristallographie 215 (2000) 96-101
	The crystal structure of the new mineral wilhelmkleinite ZnFe3+2(OH)2(AsO4)2
	Locality: Tsumeb mine, Namibia
	_database_code_amcsd 0011085
	6.631 7.611 7.377 90 91.80 90 P2_1/n
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Zn 0 0 .5 .01115 .01083 .01456 .00814 .00197 .00176 -.00273
	Fe .22856 .36444 .26271 .00717 .00689 .00766 .00703 -.00046 .00116 -.00041
	As .24265 .623976 .633213 .00579 .00557 .00680 .00501 .00030 .00030 .00039
	O1 .2220 .44359 .50673 .0123 .0186 .0096 .0088 -.0002 .0006 -.0033
	O2 .06002 .63490 .78564 .0097 .0066 .0151 .0077 -.0002 .0020 -.0006
	O3 .46181 .61580 .75421 .0104 .0053 .0176 .0081 -.0001 -.0013 .0033
	O4 .23482 .80790 .50638 .0097 .0124 .0085 .0082 .0020 .0014 .0032
	O5 .24552 .11675 .35613 .0087 .0102 .0079 .0080 -.0009 -.0008 .0000
	H .336 .118 .422 .050
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	Welinite
	Moore P B
	Arkiv for Mineralogi och Geologi 4 (1969) 459-466
	The crystal structure of welinite (Mn+4,W)<1(Mn+2,W,Mg)<3Si(O,OH)7
	Locality: Langban, Sweden
	_database_code_amcsd 0012047
	8.155 8.155 4.785 90 90 120 P6_3
	atom x y z occ Biso
	Mn4+1 0 0 .015 .8 .89
	W1 0 0 .015 .1 .89
	Mn2+2 .3043 .8906 0 .67 .76
	W2 .3043 .8906 0 .1 .76
	Mg2 .3043 .8906 0 .1 .76
	Si 1/3 2/3 .437 .32
	O1 1/3 2/3 .767 .13
	O2 .135 .630 .297 .45
	O3 .058 .843 -.234 1.19
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	Phosphoferrite
	Moore P B, Araki T
	Inorganic Chemistry 15 (1976) 316-321
	A mixed-valence solid-solution series: Crystal structures of phosphoferrite,
	Fe3(H2O)3[PO4]2, and kryzhanovskite, Fe3(OH)3[PO4]2
	Locality: synthetic
	_database_code_amcsd 0012680
	9.460 10.024 8.670 90 90 90 Pbna
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Fe1 0 0 0 .72 .00249 .00149 .00226 -.00026 -.00074 -.00002
	Fe2 .06348 .09782 .63668 .70 .00214 .00173 .00213 .00050 -.00001 .00019
	P .20288 .10670 .29122 .50 .00122 .00134 .00179 -.00008 -.00005 .00006
	O1 .21539 .25627 .33460 .81 .00204 .00143 .00376 -.00002 .00007 .00046
	O2 .10316 .03661 .40657 .80 .00203 .00246 .00231 -.00068 -.00033 .00015
	O3 .35040 .04224 .29614 .85 .00154 .00229 .00358 .00061 -.00007 .00035
	O4 .14429 .09993 .12530 .90 .00268 .00289 .00197 -.00056 -.00043 -.00019
	OW1 -.08684 .25 .5 1.49 .00442 .00305 .00553 0 0 .00084
	OW2 -.02832 .32797 .14766 .82 .00224 .00166 .00331 -.00031 -.00010 -.00004
	H1 -.134 .200 .446
	H2a -.100 .310 .156
	H2b .023 .268 .133
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	Kryzhanovskite
	Moore P B, Araki T
	Inorganic Chemistry 15 (1976) 316-321
	A mixed-valence solid-solution series: Crystal structures of phosphoferrite,
	Fe3(H2O)3[PO4]2, and kryzhanovskite, Fe3(OH)3[PO4]2
	Note: this sample was synthesized by heating phosphoferrite in air
	Locality: synthetic
	_database_code_amcsd 0012681
	9.518 9.749 8.031 90 90 90 Pbna
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Fe1 0 0 0 .71 .00059 .00247 .00378 -.00013 -.00048 .00035
	Fe2 .04838 .11378 .63693 .69 .00078 .00212 .00376 .00035 .00021 .00025
	P .20925 .10570 .28596 .52 .00036 .00179 .00335 .00003 -.00001 .00006
	O1 .21008 .25961 .33188 .71 .00026 .00159 .00555 .00022 -.00001 .00049
	O2 .11247 .02965 .41434 .69 .00070 .00213 .00389 -.00034 -.00054 .00010
	O3 .35969 .04537 .29859 .76 .00043 .00266 .00428 .00037 .00004 -.00013
	O4 .15816 .08792 .10917 .86 .00093 .00345 .00364 -.00032 -.00061 -.00025
	Oh1 -.05246 .25 .5 .93 .00118 .00282 .00501 0 0 -.00056
	Oh2 -.02974 .34471 .15037 .78 .00088 .00259 .00405 -.00035 -.00043 .00013
	H1 -.163 .25 .5
	H2a -.131 .311 .158
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	Mitridatite
	Moore P B, Araki T
	Inorganic Chemistry 16 (1977) 1096-1106
	Mitridatite, Ca6(H2O)6[FeIII9O6(PO4)9]*3H2O.
	A noteworthy octahedral sheet structure
	Locality: White Elephant pegmatite, Custer, South Dakota, USA
	_database_code_amcsd 0012683
	17.5530 19.3540 11.248 90 95.84 90 Aa
	atom x y z Biso
	Fe1 .2500 .46266 .5000 .60
	Fe2 .2465 .20013 .2917 .58
	Fe3 .2468 .22755 .7935 .60
	Fe4 .2434 .04173 .2716 .60
	Fe5 .2456 .05241 .7703 .62
	Fe6 .2487 .37474 .2725 .69
	Fe7 .2517 .38608 .7719 .65
	Fe8 .2504 .29595 .0397 .64
	Fe9 .2401 .12921 .5377 .60
	Ca1 .5807 .0376 .8212 .97
	Ca2 .5820 .1717 .3670 .78
	Ca3 .5762 .3737 .8394 .91
	Ca4 .4155 .2880 .2319 .88
	Ca5 .4157 .4858 .6851 1.09
	Ca6 .4125 .1551 .7090 .95
	P1 .1052 .2863 .1836 .53
	O1 .0198 .2852 .1686 1.17
	O2 .1369 .2206 .2533 .97
	O3 .1382 .3498 .2549 .95
	O4 .1401 .2863 .0616 .58
	P2 .1054 .4618 .6459 .61
	O5 .0191 .4578 .6282 1.06
	O6 .1351 .5279 .7148 .81
	O7 .1390 .3988 .7194 .81
	O8 .1398 .4613 .5235 1.02
	P3 .1018 .1440 .6894 .56
	O9 .0162 .1466 .6800 1.17
	O10 .1371 .2082 .7602 1.02
	O11 .1326 .0775 .7547 .98
	O12 .1312 .1444 .5626 1.14
	P4 .3932 .4660 .3548 .57
	O13 .4792 .4691 .3607 .74
	O14 .3629 .3976 .2918 .75
	O15 .3584 .5290 .2855 .75
	O16 .3654 .4667 .4820 .72
	P5 .3889 .1192 .3965 .58
	O17 .4739 .1166 .4165 .95
	O18 .3602 .1863 .3271 .66
	O19 .3568 .0559 .3205 .88
	O20 .3542 .1186 .5190 .87
	P6 .3943 .3085 .8955 .57
	O21 .4811 .3098 .9072 .82
	O22 .3628 .2430 .8255 .83
	O23 .3626 .3736 .8265 .95
	O24 .3638 .3075 .0209 .77
	P7 .2067 .4590 .0165 .56
	O25 .1230 .4449 .9905 1.45
	O26 .2489 .3993 .0927 .34
	O27 .2286 .5276 .0880 .99
	O28 .2453 .4637 .8979 .60
	P8 .2871 .1280 .0370 .57
	O29 .3720 .1190 .0593 1.41
	O30 .2501 .0688 .9587 1.15
	O31 .2579 .1954 .9751 .77
	O32 .2472 .1265 .1557 .82
	P9 .2876 .2942 .5364 .60
	O33 .3724 .2845 .5560 1.45
	O34 .2595 .3581 .4598 .62
	O35 .2478 .2303 .4726 .94
	O36 .2515 .3014 .6550 .98
	O37 .2137 .1142 .3709 .59
	O38 .2726 .1452 .7107 .82
	O39 .2771 .2827 .2143 .68
	O40 .2205 .3137 .8757 .47
	O41 .2191 .4639 .3250 .51
	O42 .2773 .4650 .6680 .81
	Wat1 .4990 .2693 .4121 1.35
	Wat2 .4856 .3789 .6597 1.84
	Wat3 .4981 .0616 .6505 1.14
	Wat4 .4926 .1928 .1842 1.49
	Wat5 .5022 .4707 .8748 1.17
	Wat6 .4891 .1222 .8916 1.81
	Wat7 .4275 .4509 .0628 1.64
	Wat8 .5775 .3798 .4874 2.18
	Wat9 .5812 .2132 .0080 2.39
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	Mitridatite
	Moore P B, Araki T
	Mineralogical Magazine 41 (1977) 527-528
	Mitridatite - a remarkable octahedral sheet structure
	Loclaity: White Elephant pegmatite, Custer, South Dakota, USA
	_database_code_amcsd 0014469
	17.53 19.35 11.25 90 95.92 90 Aa
	atom x y z
	Ca1 .084 .466 .299
	Ca2 .084 .312 .842
	Ca3 .080 .138 .343
	Ca4 .419 .288 .208
	Ca5 .418 .496 .664
	Ca6 .415 .156 .679
	Fe1 .253 .460 .489
	Fe2 .247 .037 .246
	Fe3 .248 .055 .745
	Fe4 .250 .200 .268
	Fe5 .249 .221 .768
	Fe6 .251 .373 .250
	Fe7 .255 .382 .754
	Fe8 .254 .295 .021
	Fe9 .244 .131 .523
	P1 .108 .283 .160
	P2 .106 .458 .634
	P3 .104 .144 .667
	P4 .396 .462 .337
	P5 .391 .121 .382
	P6 .396 .303 .880
	P7 .214 .457 .999
	P8 .289 .126 .017
	P9 .290 .292 .519
	O1 .024 .282 .140
	O2 .136 .232 .229
	O3 .137 .347 .235
	O4 .136 .285 .047
	O5 .020 .455 .627
	O6 .141 .467 .506
	O7 .137 .395 .693
	O8 .140 .030 .198
	O9 .013 .140 .640
	O10 .136 .205 .733
	O11 .133 .080 .730
	O12 .131 .149 .545
	O13 .486 .472 .351
	O14 .364 .393 .260
	O15 .359 .458 .477
	O16 .358 .035 .767
	O17 .486 .128 .401
	O18 .354 .058 .301
	O19 .355 .118 .496
	O20 .364 .181 .310
	O21 .484 .302 .900
	O22 .366 .373 .810
	O23 .363 .236 .794
	O24 .367 .301 .022
	O25 .378 .116 .046
	O26 .250 .068 .946
	O27 .262 .194 .953
	O28 .253 .123 .147
	O29 .379 .287 .543
	O30 .262 .360 .438
	O31 .254 .232 .444
	O32 .256 .296 .630
	O33 .131 .448 .975
	O34 .250 .462 .876
	O35 .238 .032 .563
	O36 .262 .398 .074
	O37 .217 .118 .360
	O38 .276 .143 .686
	O39 .282 .283 .184
	O40 .221 .314 .860
	O41 .222 .468 .311
	O42 .280 .459 .666
	Wat43 .493 .261 .405
	Wat44 .493 .388 .656
	Wat45 .497 .064 .643
	Wat46 .497 .194 .182
	Wat47 .506 .474 .868
	Wat48 .486 .127 .894
	Wat49 .426 .455 .055
	Wat50 .574 .373 .483
	Wat51 .572 .217 .018
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	Landesite
	Moore P B, Araki T, Kampf A R
	Mineralogical Magazine 43 (1980) 789-795
	Nomenclature of the phosphoferrite structure type:
	refinements of landesite and kryzhanovskite
	_database_code_amcsd 0014472
	9.458 10.185 8.543 90 90 90 Pbna
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Mn2+M2 .06251 .10100 .63964 1.31 .00328 .00334 .00474 -.00173 -.00009 .00041
	Fe3+M1 0 0 0 1.13 .00261 .00248 .00491 -.00021 -.00044 -.00016
	P .20733 .10506 .29235 .75 .00121 .00183 .00358 -.00021 .00030 -.00008
	O1 .2155 .2526 .3294 1.11 .00235 .00175 .00612 .00026 .00022 .00004
	O2 .1051 .0378 .4074 1.05 .00165 .00291 .00464 -.00069 .00105 .00036
	O3 .3566 .0444 .3087 1.41 .00168 .00286 .00841 .00061 .00126 .00012
	O4 .1585 .0878 .1227 2.06 .00499 .00778 .00382 -.00306 .00038 -.00080
	Wat1 -.0945 .25 .5 1.85 .00555 .00370 .00700 0 0 -.00099
	Wat2 -.0293 .3322 .1363 1.44 .00217 .00349 .00716 -.00057 -.00014 -.00101
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	Kryzhanovskite
	Moore P B, Araki T, Kampf A R
	Mineralogical Magazine 43 (1980) 789-795
	Nomenclature of the phosphoferrite structure type:
	refinements of landesite and kryzhanovskite
	_database_code_amcsd 0014473
	9.450 10.013 8.179 90 90 90 Pbna
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Mn2+M2 .05105 .11205 .63602 .5 1.40 .00419 .00310 .00543 -.00161 -.00066 -.00047
	Fe3+M2 .05105 .11205 .63602 .5 1.40 .00419 .00310 .00543 -.00161 -.00066 -.00047
	Fe3+M1 0 0 0 1.16 .00200 .00349 .00508 -.00039 -.00044 -.00048
	P .20931 .10344 .28853 .62 .00109 .00122 .00370 -.00005 .00011 .00014
	O1 .2131 .2541 .3291 .99 .00250 .00127 .00588 -.00029 -.00020 -.00020
	O2 .1119 .0320 .4128 .97 .00146 .00205 .00585 -.00030 .00088 .00108
	O3 .3614 .0446 .3033 1.09 .00115 .00286 .00641 .00064 .00049 .00112
	O4 .1573 .0840 .1148 1.15 .00231 .00357 .00443 -.00077 -.0002 -.00146
	Wat1 -.0672 .25 .5 1.68 .00727 .00196 .00615 0 0 .00013
	Wat2 -.0303 .3389 .1358 1.26 .00147 .00243 .00856 -.00053 -.00043 .00149
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	Joesmithite
	Moore P B, Davis A M, Van Derveer D G, Sen Gutpa P K
	Mineralogy and Petrology 48 (1993) 97-113
	Joesmithite, a plumbous amphibole revisited and comments on bond valences
	Locality: Langban, Sweden
	_database_code_amcsd 0014625
	9.915 17.951 5.243 90 105.95 90 P2/a
	atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	PbA .25 .28331 0 .928 1.53 .0139 .0102 .0361 0 .0105 0
	KA .25 .28331 0 .072 1.53 .0139 .0102 .0361 0 .0105 0
	MgM1 .75 .34250 .5 .291 .28 .0032 .0047 .0025 0 .0002 0
	FeM1 .75 .34250 .5 .709 .28 .0032 .0047 .0025 0 .0002 0
	MgM1' .75 .1619 .5 .879 .39 .005 .005 .004 0 .001 0
	FeM1' .75 .1619 .5 .121 .39 .005 .005 .004 0 .001 0
	FeM2 .75 .42766 0 .40 .0048 .0064 .0035 0 .0003 0
	MgM2' .75 .0725 0 .864 .32 .003 .005 .005 0 0 0
	FeM2' .75 .0725 0 .136 .32 .003 .005 .005 0 0 0
	MgM3 .75 .2559 0 .517 .38 .0057 .0047 .0022 0 .0017 0
	FeM3 .75 .2559 0 .483 .38 .0057 .0047 .0022 0 .0017 0
	CaY1 .25 .4578 .5 .98 .54 .0078 .0088 .005 0 .0033 0
	NaY1 .25 .4578 .5 .02 .54 .0078 .0088 .005 0 .0033 0
	CaY2 .25 .0303 .5 .92 .55 .0057 .010 .006 0 .0022 0
	NaY2 .25 .0303 .5 .08 .55 .0057 .010 .006 0 .0022 0
	SiT1 .4620 .0802 .1891 .31 .0031 .0059 .0024 .0010 .0001 .0002
	SiT2 .4716 .1700 .6958 .33 .0029 .0063 .0021 .0000 .0015 .0001
	SiT3 .4593 .4212 .1768 .35 .0025 .0062 .0034 .0009 .0008 .0001
	SiT4 .4742 .3362 .685 .153 1.7 .017 .025 .023 -.001 .005 -.003
	BeT4 .4742 .3362 .685 .847 1.7 .017 .025 .023 -.001 .005 -.003
	O1 .6309 .4262 .2658 .5 .004 .009 .004 .003 -.001 -.001
	O2 .6444 .3429 -.2273 .6 .005 .010 .008 -.001 .001 .000
	OH3 .6411 .2535 .289 .6 .007 .007 .009 -.001 .001 .001
	O4 .6400 .1646 -.2189 .6 .004 .010 .008 .001 .002 .002
	O5 .6301 .0783 .2720 .6 .005 .011 .003 -.002 -.002 -.000
	O6 .3821 .4978 .2090 .6 .008 .007 .007 .001 -.001 .002
	O7 .3998 .3879 -.1256 .3 .004 .005 .002 .000 -.002 -.002
	O8 .4086 .3622 .3722 .6 .003 .009 .007 -.000 -.002 .002
	O9 .4185 .2526 .717 .8 .008 .012 .011 -.002 .003 .003
	O10 .4044 .1149 -.117 .6 .005 .010 .005 .001 -.003 .002
	O11 .4083 .1375 .3932 .6 .002 .015 .005 .001 -.003 -.003
	O12 .3837 .0043 .2078 .7 .006 .016 .004 -.004 -.002 .000
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	Cacoxenite
	Moore P B, Shen J
	Nature 306 (1983) 356-358
	An X-ray structural study of cacoxenite, a mineral phosphate
	Locality: Avant's Claim, near Shady, Polk County, Arkansas, USA
	_database_code_amcsd 0014677
	27.559 27.559 10.550 90 90 120 P6_3/m
	atom x y z occ Biso
	Al1 2/3 1/3 .25 .3
	Al2 .3831 .0107 .75 .1
	Fe1 .4759 .1140 .25 .8
	Fe2 .6542 .0940 .75 1.2
	Fe3 .5717 .2330 .75 .8
	Fe4 .5400 .0525 .1025 .7
	Fe5 .6758 .2229 .6066 .8
	P1 2/3 1/3 .562 .5
	O1 2/3 1/3 .422 .5
	O2 .6060 .2979 .614 .1
	P2 .6555 .1129 .25 .2
	O3 .6731 .0672 .25 .9
	O4 .7063 .1709 .25 .8
	O5 .6203 .1022 .128 .9
	P3 .4061 .0107 .049 .1
	O6 .3839 .0171 -.077 .1
	O7 .3591 -.0398 .119 1.1
	O8 .4256 .0650 .122 .7
	O9 .4572 -.0001 .031 .1
	P4 .5522 .1657 .000 .2
	O10 .5239 .1706 .122 .6
	O11 .5284 .1817 -.113 .1
	O12 .5403 .1053 -.021 .5
	O13 .6155 .2062 .015 .2
	OH1 .6680 .1496 .615 1.0
	OX1 .5144 .0740 .25 .9
	OHX2 .5172 .2646 .75 .3
	OX3 .6294 .2150 .75 .1
	OHX4 .5520 .0025 .25 .9
	Wat1 .427 .156 .25 1.8
	Wat2 .570 .079 .75 .8
	Wat3 .325 .034 .75 2.3
	Wat4 .376 .262 .75 2.1
	Wat5 .443 .094 .75 1.6
	Wat6 .620 .256 .25 .5 6.80
	Wat6d .656 .259 .25 .5 11.5
	Wat7 .510 .269 .047 1.2
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