|
Graftonite |
 |
Calvo C |
 |
American Mineralogist 53 (1968) 742-750 |
|
The crystal structure of graftonite |
|
_database_code_amcsd 0000170 |
|
8.91 11.58 6.239 90 98.9 90 P2_1/c |
|
atom x y z occ Biso |
|
Ca1 .9472 .1208 .8355 1.00 |
|
Fe2 .7144 .0790 .3255 .69 1.44 |
|
Mn2 .7144 .0790 .3255 .31 1.44 |
|
Fe3 .3619 .1915 .1295 .69 .58 |
|
Mn3 .3619 .1915 .1295 .31 .58 |
|
P1 .0959 .1338 .3956 .22 |
|
P2 .6011 .0891 .8024 .21 |
|
O1 .0826 .0702 .1787 .98 |
|
O2 .4705 .1742 .8241 1.10 |
|
O3 .9390 .1915 .4237 1.02 |
|
O4 .6888 .1271 .6235 .63 |
|
O5 .2165 .2299 .3889 1.32 |
|
O6 .7242 .0905 .0070 1.32 |
|
O7 .1451 .0586 .5961 .47 |
|
O8 .5357 -.0368 .7623 .72 |
|
|
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|
| |
|
Chevkinite-(Nd) |
| |
Calvo C, Faggiani R |
|
American Mineralogist 59 (1974) 1277-1285 |
|
A re-investigation of the crystal structures of chevkinite and perrierite |
|
Coordinates to O8 revised by Dr. Zhuming Yang, December 2001 |
|
Locality: natural, but location not given |
|
_database_code_amcsd 0000433 |
|
13.328 5.727 10.971 90 100.91 90 P2_1/a |
|
atom x y z occ Uiso |
|
Nd1 .35442 .02260 .23312 .0095 |
|
Nd2 .07127 -.03662 .24017 .0094 |
|
Si1 .2015 .4972 .2306 .0069 |
|
Si2 .3596 .5019 .0470 .0076 |
|
Mg 0 .5 0 .0078 |
|
Ti1 .2434 .2466 .5 .680 .0082 |
|
Mg1 .2434 .2466 .5 .320 .0082 |
|
Ti2a 0 .5 .5 .807 .0111 |
|
Mg2a 0 .5 .5 .193 .0111 |
|
Ti2b .5 .5 .5 .834 .0093 |
|
Mg2b .5 .5 .5 .166 .0093 |
|
O1 .2393 -.2098 .3133 .0075 |
|
O11 .2170 .2527 .3130 .0081 |
|
O2 -.0247 -.2527 .3742 .0085 |
|
O21 -.0214 .2448 .3736 .0093 |
|
O3 .4131 -.2493 .0946 .0093 |
|
O31 .4437 .2947 .0931 .0107 |
|
O4 .1457 -.0104 .4757 .0106 |
|
O5 .1511 .5044 .5099 .0105 |
|
O6 .0866 .5469 .1686 .0113 |
|
O7 .2741 .4477 .1307 .0151 |
|
O8 .3132 .4892 -.0985 .0074 |
|
|
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|
| |
|
Chevkinite-(Nd) |
| |
Calvo C, Faggiani R |
|
American Mineralogist 59 (1974) 1277-1285 |
|
A re-investigation of the crystal structures of chevkinite and perrierite |
|
Locality: natural, but location not given |
|
_database_code_amcsd 0000434 |
|
13.325 5.706 10.998 90 100.82 90 P2_1/a |
|
atom x y z occ Uiso |
|
Nd1 .35651 .01889 .23426 .0099 |
|
Nd2 .06955 -.03317 .24116 .0089 |
|
Si1 .2008 .4974 .2298 .0053 |
|
Si2 .3584 .4993 .0464 .0063 |
|
Co 0 .5 0 .0093 |
|
Ti1 .2447 .2456 .5003 .68 .0106 |
|
Co1 .2447 .2456 .5003 .32 .0106 |
|
Ti2a 0 .5 .5 .82 .0119 |
|
Co2a 0 .5 .5 .18 .0119 |
|
Ti2b .5 .5 .5 .82 .0129 |
|
Co2b .5 .5 .5 .18 .0129 |
|
O1 .2384 -.2725 .3137 .007 |
|
O11 .2183 .2595 .3126 .007 |
|
O21 -.0254 .2515 .3721 .008 |
|
O2 -.0241 -.2575 .3697 .012 |
|
O3 .4134 -.2550 .0957 .012 |
|
O31 .4402 .2880 .0954 .013 |
|
O5 .1516 .4959 .5092 .008 |
|
O4 .1450 -.0121 .4752 .007 |
|
O6 .0833 .5434 .1737 .010 |
|
O7 .2705 .4515 .1247 .013 |
|
O8 .3149 -.0097 -.0992 .011 |
|
|
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|
| |
|
Perrierite-(La) |
| |
Calvo C, Faggiani R |
|
American Mineralogist 59 (1974) 1277-1285 |
|
A re-investigation of the crystal structures of chevkinite and perrierite |
|
Locality: synthetic |
|
_database_code_amcsd 0000435 |
|
13.818 5.677 11.787 90 113.85 90 P2_1/a |
|
atom x y z occ Uiso |
|
La1 .23756 .0198 .26687 .0078 |
|
La2 .04897 .0265 .74320 .0087 |
|
Si1 .4123 -.0001 .7322 .0057 |
|
Si2 .1624 .0027 .5489 .0069 |
|
Mg 0 .5 .5 .0047 |
|
Ti1 -.0039 .2385 .0004 .616 .0105 |
|
Mg1 -.0039 .2385 .0004 .384 .0105 |
|
Ti2 .2749 .0071 .017 .884 .0068 |
|
Mg2 .2749 .0071 .017 .116 .0068 |
|
O1 .0794 -.2597 .1864 .0091 |
|
O11 .0652 .2556 .1858 .0103 |
|
O2 .2899 .2606 .1229 .0128 |
|
O21 .2875 -.2401 .1225 .0105 |
|
O3 .3736 -.2511 .4058 .0123 |
|
O31 .3920 .2862 .4066 .0139 |
|
O4 .0957 .0077 .9894 .0114 |
|
O5 .4067 -.0041 .0089 .0110 |
|
O6 .4932 .0328 .6667 .0150 |
|
O7 .2884 -.0337 .6366 .0176 |
|
O8 .1384 -.0036 .4042 .0115 |
|
|
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|
| |
|
Whitlockite |
|
Calvo C, Gopal R |
|
American Mineralogist 60 (1975) 120-133 |
|
The crystal structure of whitlockite from the Palermo quarry |
|
_database_code_amcsd 0000445 |
|
10.330 10.330 37.103 90 90 120 R3c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg 0 0 0 .587 .0059 .0059 .0080 .0030 0 0 |
|
Fe 0 0 0 .413 .0059 .0059 .0080 .0030 0 0 |
|
Ca1 .2794 .1457 .5664 .0091 .0036 .0105 .0051 -.0004 -.0009 |
|
Ca2 .3871 .1794 .7687 .0095 .0075 .0102 .0042 -.0020 -.0007 |
|
Ca3 .2887 .1545 .6737 .0358 .0176 .0182 .0206 -.0119 -.0086 |
|
Ca4 0 0 .8125 .095 .019 |
|
P1 .3166 .1426 .8652 .0090 .0079 .0090 .0053 .0006 -.0001 |
|
P2 .3501 .1570 .9683 .0067 .0073 .0076 .0032 .0006 .0003 |
|
P3 0 0 .7547 .810 .010 |
|
P4 0 0 .7344 .190 .002 |
|
O1 .2728 .0910 .8261 .0230 .0220 .0115 .0138 .0011 .0009 |
|
O2 .2456 .2317 .8788 .0170 .0190 .0194 .0147 .0027 .0016 |
|
O3 .2729 .0014 .8874 .0110 .0060 .0117 .0023 -.0026 .0017 |
|
O4 .4889 .2417 .8698 .0070 .0080 .0225 .0032 -.0008 .0011 |
|
O5 .3991 .0475 .9550 .0110 .0160 .0129 .0095 -.0012 .0003 |
|
O6 .4158 .4034 .9476 .0120 .0080 .0205 .0022 .0030 .0044 |
|
O7 .1779 .0783 .9642 .0060 .0100 .0157 .0034 .0017 .0020 |
|
O8 .4013 .1951 .0080 .0230 .0160 .0087 .0122 -.0015 .0006 |
|
O9 0 0 .7982 .810 .038 |
|
O10 -.0192 .1309 .7422 .809 .012 |
|
O11 0 0 .6934 .190 .019 |
|
O12 -.0001 .1374 .7499 .191 .012 |
|
|
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|
| |
|
Stoiberite |
|
Shannon R D, Calvo C |
 |
Acta Crystallographica B29 (1973) 1338-1345 |
|
Crystal structure of Cu5V2O10 |
|
Locality: synthetic |
|
_database_code_amcsd 0009480 |
|
8.393 6.0652 16.156 90 108.09 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) |
|
Cu1 .06052 -.05305 .10166 .0068 .0085 .0096 -.0010 .0026 -.0036 |
|
Cu2 .26391 .24380 .48448 .0066 .0101 .0072 .0008 .0019 .0029 |
|
Cu3 .16051 .18317 .28887 .0065 .0223 .0062 -.0002 .0015 .0030 |
|
Cu4 .04069 .45348 .09186 .0116 .0085 .0087 .0033 .0046 .0028 |
|
Cu5 .37081 .22379 .17954 .0048 .0219 .0079 .0014 .0019 .0034 |
|
V1 .43036 .71053 .09887 .0050 .0060 .0056 .0000 .0013 -.0014 |
|
V2 .21585 .69313 .32889 .0052 .0065 .0070 .0001 .0021 .0010 |
|
O1 .4026 .1961 .3048 .0104 .0164 .0054 -.0015 .0000 .0002 |
|
O2 .4910 .2546 .4820 .0067 .0180 .0086 -.0005 .0009 -.0004 |
|
O3 .2930 .9213 .0983 .0067 .0173 .0221 .0020 .0043 -.0062 |
|
O4 .3208 .4582 .0849 .0141 .0135 .0070 -.0022 .0018 -.0013 |
|
O5 .4033 .6853 .3161 .0111 .0203 .0156 -.0008 .0070 .0003 |
|
O6 .1752 .4610 .3867 .0086 .0082 .0100 .0027 .0040 .0013 |
|
O7 .1878 .9371 .3778 .0151 .0094 .0106 -.0018 .0055 .0011 |
|
O8 .0760 .6854 .2236 .0083 .0241 .0086 .0018 .0027 .0020 |
|
O9 .1345 .2131 .1668 .0101 .0091 .0070 -.0014 .0030 .0020 |
|
O10 .0315 .2116 .4764 .0086 .0116 .0074 .0010 .0032 .0008 |
|
|
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|
| |
|
Mg2V2O7 |
| |
Gopal R, Calvo C |
|
Acta Crystallographica B30 (1974) 2491-2493 |
|
Crystal structure of magnesium divanadate, Mg2V2O7 |
|
Note: There is likely a minor typo in coordinates of O6 because |
|
bond lengths cannot be reproduced |
|
_database_code_amcsd 0009520 |
|
13.767 5.414 4.912 81.42 106.82 130.33 P-1 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg1 .08370 .3767 .5095 .0088 .0068 .0063 .0052 .0006 .0001 |
|
Mg2 .41687 .6187 .4229 .0080 .0073 .0072 .0050 .0006 .0008 |
|
V1 .63934 -.0702 .03708 .0072 .0067 .0041 .0043 .0003 .0007 |
|
V2 .86140 -.0632 -.14070 .0068 .0062 .0041 .0036 -.0003 .0001 |
|
O1 .7075 -.2036 -.1055 .0110 .0156 .0120 .0085 .0028 -.0018 |
|
O2 .9523 -.0124 .2089 .0120 .0082 .0043 .0060 -.0011 -.0001 |
|
O3 .7651 .2893 .1865 .0135 .0117 .0115 .0050 -.0026 -.0029 |
|
O4 .9334 .2896 -.3044 .0131 .0106 .0108 .0088 .0033 .0033 |
|
O5 .4588 .0313 .2352 .0117 .0091 .0061 .0075 -.0006 .0004 |
|
O6 .2123 .3753 .3636 .0069 .0095 .0107 .0042 .0030 -.0014 |
|
O7 .4386 .3242 .7109 .0125 .0119 .0080 .0091 .0040 .0038 |
|
|
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|
| |
|
Co2V2O7 |
| |
Sauerbrei E E, Faggiani R, Calvo C |
|
Acta Crystallographica B30 (1974) 2907-2909 |
|
Cobalt vanadate, Co2V2O7, and nickel vanadate, Ni2V2O7 |
|
_database_code_amcsd 0009523 |
|
6.594 8.380 9.470 90 100.17 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) |
|
Co1 .1470 .1215 .46400 .0059 .0072 .0090 .0000 .0014 -.0011 |
|
Co2 .3077 .3784 .68073 .0061 .0071 .0085 -.0002 .0015 -.0001 |
|
V1 .3608 .7588 .53076 .0071 .0091 .0109 -.0007 .0023 .0001 |
|
V2 .1941 .0186 .81435 .0075 .0096 .0106 -.0001 .0023 .0004 |
|
O1 .6049 .1308 .1233 .0077 .0131 .0112 .0005 .0025 .0000 |
|
O2 .4291 .1277 .3972 .0069 .0124 .0138 -.0007 .0030 .0006 |
|
O3 .1709 .3702 .4602 .0124 .0124 .0110 .0139 .0021 -.0011 |
|
O4 .2552 .3603 .1840 .0102 .0103 .0130 -.0007 .0089 .0008 |
|
O5 .6794 .3730 .3489 .0158 .0119 .0144 -.0027 .0031 .0009 |
|
O6 .0275 .0820 .2467 .0092 .0143 .0124 -.0016 .0042 -.0005 |
|
O7 .8532 .3781 .0075 .0073 .0119 .0170 -.0005 .0031 .0002 |
|
|
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|
| |
|
Ni2V2O7 |
| |
Sauerbrei E E, Faggiani R, Calvo C |
|
Acta Crystallographica B30 (1974) 2907-2909 |
|
Cobalt vanadate, Co2V2O7, and nickel vanadate, Ni2V2O7 |
|
Note: x-coordinate of O7 altered to reproduce reported bond lengths |
|
_database_code_amcsd 0009524 |
|
6.515 8.303 9.350 90 99.86 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) |
|
Ni1 .14645 .12126 .46331 .0026 .00222 .00198 .00019 .00043 .00003 |
|
Ni2 .30510 .38681 .67944 .0025 .00224 .00198 .00000 .00041 .00004 |
|
V1 .36206 .76019 .53125 .0023 .0020 .00204 .00009 .00035 .00007 |
|
V2 .19456 .01854 .81303 .0024 .0021 .00176 .00010 .00028 .00001 |
|
O1 .6010 .1313 .1242 .0035 .0035 .0030 .0000 .0012 .0003 |
|
O2 .4271 .1249 .3940 .0032 .0037 .0029 -.0007 .0005 .0000 |
|
O3 .1689 .3694 .4608 .0057 .0027 .0028 -.0003 .0003 .0006 |
|
O4 .2571 .3600 .1808 .0050 .0031 .0024 .0003 .0006 -.0002 |
|
O5 .6820 .3726 .3486 .0069 .0031 .0033 -.0004 .0007 .0003 |
|
O6 .0280 .0849 .2497 .0044 .0038 .0027 -.0012 .0006 -.0001 |
|
O7 .8550 .3793 .0082 .0033 .0037 .0035 -.0003 .0007 -.0004 |
|
|
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|
| |
|
Blossite |
|
Calvo C, Faggiani R |
|
Acta Crystallographica B31 (1975) 603-605 |
|
Alpha cupric divanadate |
|
Locality: synthetic |
|
_database_code_amcsd 0009530 |
|
20.645 8.383 6.442 90 90 90 Fdd2 |
|
atom x y z Uiso |
|
Cu .16580 .36460 .75 .016 |
|
V .19906 .4054 .2343 .005 |
|
O1 .2453 .5622 .2774 .021 |
|
O2 .1446 .4368 .0332 .010 |
|
O3 .1619 .3477 .4592 .013 |
|
O4 .25 .25 .1592 .028 |
|
|
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|
| |
|
Stranskiite |
|
Calvo C, Leung K Y |
|
Zeitschrift fur Kristallographie 130 (1969) 231-233 |
|
Refinement of the structure of stranskiite |
|
Note: cell parameters after Plieth and Sanger (1967) |
|
_database_code_amcsd 0010699 |
|
5.09 6.75 5.30 111.0 112.5 86.0 P-1 |
|
atom x y z Biso |
|
Zn .2285 .1858 .7347 1.36 |
|
Cu .5 .5 .5 1.28 |
|
As .8652 .2750 .1384 0.90 |
|
O1 .1774 .3353 .1255 0.54 |
|
O2 .9097 .1217 .3352 1.52 |
|
O3 .6455 .1573 .8019 1.09 |
|
O4 .7280 .5055 .2920 1.18 |
|
|
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|
| |
|
IMA2009-002 |
| |
Poulsen S J, Calvo C |
| |
Canadian Journal of Chemistry 46 (1968) 917-927 |
|
Crystal structure of Cu3(AsO4)2 |
|
Locality: synthetic |
|
_database_code_amcsd 0012148 |
|
6.327 8.642 11.313 90 92.04 90 P2_1/c |
|
atom x y z Biso |
|
Cu1 .2415 .1642 .6323 1.01 |
|
Cu2 .6161 .0311 .8777 1.24 |
|
Cu3 .9082 .1900 .4316 1.01 |
|
As1 .4143 .1134 .3679 .76 |
|
As2 .8960 .0602 .1507 .76 |
|
O1 .6062 .2381 .4188 .82 |
|
O2 -.0324 .2406 .1063 .85 |
|
O3 .2082 .1309 .4568 1.24 |
|
O4 .0853 -.0731 .1210 1.35 |
|
O5 .3379 .1541 .2284 .87 |
|
O6 .6701 -.0046 .0836 1.5 |
|
O7 .4809 -.0705 .3600 .78 |
|
O8 -.1313 .0528 .2986 1.28 |
|
|
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|
| |
|
Pseudolyonsite |
| |
Shannon R D, Calvo C |
| |
Canadian Journal of Chemistry 50 (1972) 3944-3949 |
|
Crystal structure of a new form of Cu3V2O8 |
|
Locality: synthetic |
|
_database_code_amcsd 0018360 |
|
6.2493 7.9936 6.3776 90 111.49 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) |
|
Cu1 0 0 0 .0139 .0048 .0131 0 .0118 0 |
|
Cu2 .2638 .2454 .3915 .0110 .0060 .0109 .0005 .0091 .0004 |
|
V1 .2510 .6185 .1418 .0081 .0048 .0072 -.0002 .0059 .0000 |
|
O1 .0105 .7622 .0351 .0093 .0086 .0145 -.0010 .0093 -.0012 |
|
O2 .2324 .4923 .3573 .0143 .010 .0102 .0022 .0110 .0029 |
|
O3 .5024 .7261 .2382 .0121 .0108 .0111 -.0030 .0091 -.0022 |
|
O4 .7518 .5024 .0727 .0154 .0069 .0087 .0001 .0076 -.0012 |
|
|
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|
| |
|
Whitlockite |
|
Gopal R, Calvo C, Ito J, Sabine W K |
| |
Canadian Journal of Chemistry 52 (1974) 1155-1164 |
|
Crystal structure of synthetic Mg-whitlockite, Ca18Mg2H2(PO4)14 |
|
Locality: synthetic |
|
_database_code_amcsd 0012160 |
|
10.350 10.350 37.085 90 90 120 R3c |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
CaIB .2951 .1580 .6720 .0251 .0147 .0141 .0145 -.0098 -.0070 |
|
CaIIB1 .2810 .1468 .5648 .0089 .0084 .0078 .0044 -.0010 -.0013 |
|
CaIIB2 .3880 .1800 .7676 .0091 .0079 .0081 .0040 -.0018 .0002 |
|
Mg 0 0 0 .0068 .0068 .0080 .0034 0 0 |
|
PA 0 0 .7531 .0079 .0079 .0113 .00395 0 0 |
|
PB1 .3180 .1433 .8641 .0070 .0062 .0061 .0032 .0003 .0000 |
|
PB2 .3511 .1578 .9674 .0056 .0055 .0055 .0019 .0006 .0011 |
|
OHIA 0 0 .7957 .031 .031 .008 .0155 0 0 |
|
OIIA -.0219 .1290 .7407 .017 .009 .018 .009 .007 .005 |
|
OIB1 .2758 .0910 .8250 .017 .016 .006 .009 .001 -.001 |
|
OIIB1 .2477 .2334 .8773 .012 .011 .011 .009 .000 -.001 |
|
OIIB3 .2736 .0025 .8866 .011 .008 .008 .004 -.000 .001 |
|
OIIB5 .4892 .2421 .8685 .005 .010 .014 .005 .004 .002 |
|
OIB2 .4063 .1980 .0065 .012 .011 .006 .005 -.002 -.001 |
|
OIIB2 .3994 .0477 .9539 .007 .014 .009 .007 .000 .000 |
|
OIIB4 .4151 .3037 .9460 .013 .010 .011 .003 .000 .002 |
|
OIIB6 .1781 .0782 .9643 .010 .012 .008 .008 -.000 -.001 |
|
|
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|
| |
|
Whitlockite |
|
Gopal R, Calvo C |
| |
Nature Physical Science 237 (1972) 30-32 |
|
Structural relationship of whitlockite and beta-Ca3(PO4)2 |
|
Locality: Palermo Quarry |
|
Sample: Heated |
|
_database_code_amcsd 0014685 |
|
10.324 10.324 37.103 90 90 120 R3c |
|
atom x y z occ Uiso |
|
CaIB .2751 .1477 .67461 .0127 |
|
CaIIB1 .2752 .1437 .56771 .0061 |
|
CaIIB2 .3804 .1757 .76879 .0075 |
|
CaIIA 0 0 .8119 .267 .013 |
|
Fe 0 0 0 .2 .0240 |
|
Mg 0 0 0 .8 .0240 |
|
PA 0 0 .7328 .009 |
|
PB1 .3142 .1400 .86505 .0064 |
|
PB2 .3432 .1526 .96910 .0058 |
|
OIB1 .2665 .0860 .8265 .013 |
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OIIB1 .2479 .2325 .8796 .013 |
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OIIB3 .2773 .0116 .8880 .006 |
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OIIB5 .4877 .2412 .8678 .010 |
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OIB2 .3782 .1832 .0091 .010 |
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OIIB2 .3962 .0444 .9564 .009 |
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OIIB4 .4180 .3018 .9488 .014 |
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OIIB6 .1726 .0762 .9625 .009 |
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OIA 0 0 .6912 .010 |
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OIIA -.0082 .1367 .7463 .017 |
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View JMOL 3-D Structure
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Whitlockite |
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Gopal R, Calvo C |
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Nature Physical Science 237 (1972) 30-32 |
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Structural relationship of whitlockite and beta-Ca3(PO4)2 |
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Locality: Palermo Quarry |
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Sample: Unheated, T = 293 K, hexagonal cell |
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Note: CaIIB1(z) changed |
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_database_code_amcsd 0014686 |
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10.330 10.330 37.103 90 90 120 R3c |
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atom x y z occ Uiso |
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CaIB .2884 .1541 .67330 .0249 |
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CaIIB1 .2593 .1455 .56593 .0074 |
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CaIIB2 .3871 .1794 .76822 .0081 |
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CaIIA 0 0 .8119 .083 .026 |
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Mg 0 0 0 .8 .0125 |
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Fe 0 0 0 .2 .0125 |
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PA1 0 0 .7328 .167 .003 |
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PA2 0 0 .7542 .833 .0102 |
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PB1 .3162 .1423 .86472 .0075 |
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PB2 .3497 .1567 .96786 .0065 |
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OIB1 .2722 .0905 .8256 .015 |
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OIIB1 .2456 .2316 .8784 .014 |
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OIIB3 .2734 .0015 .8869 .010 |
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OIIB5 .4885 .2419 .8695 .008 |
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OIB2 .4012 .1952 .0073 .014 |
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OIIB2 .3993 .0478 .9544 .012 |
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OIIB4 .4160 .3036 .9469 .012 |
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OIIB6 .1780 .0781 .9639 .008 |
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OIA1 0 0 .6914 .17 .030 |
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OIA2 0 0 .7976 .83 .009 |
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OIIA1 -.0169 .1349 .7432 .17 .013 |
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OIIA2 -.0174 .1319 .7428 .83 .025 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Lammerite-beta |
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Poulsen S J, Calvo C |
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Canadian Journal of Chemistry 46 (1968) 917-927 |
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Crystal structure of Cu3(AsO4)2 |
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Locality: synthetic |
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_database_code_amcsd 0012148 |
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6.327 8.642 11.313 90 92.04 90 P2_1/c |
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atom x y z Biso |
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Cu1 .2415 .1642 .6323 1.01 |
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Cu2 .6161 .0311 .8777 1.24 |
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Cu3 .9082 .1900 .4316 1.01 |
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As1 .4143 .1134 .3679 .76 |
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As2 .8960 .0602 .1507 .76 |
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O1 .6062 .2381 .4188 .82 |
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O2 -.0324 .2406 .1063 .85 |
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O3 .2082 .1309 .4568 1.24 |
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O4 .0853 -.0731 .1210 1.35 |
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O5 .3379 .1541 .2284 .87 |
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O6 .6701 -.0046 .0836 1.5 |
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O7 .4809 -.0705 .3600 .78 |
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O8 -.1313 .0528 .2986 1.28 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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