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Penkvilksite |
 |
Merlino S, Pasero M, Artioli G, Khomyakov A P |
 |
American Mineralogist 79 (1994) 1185-1193 |
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Penkvilksite, a new kind of silicate structure: OD character, X-ray |
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single-crystal (1M), and powder Rietveld (2O) refinements of two MDO polytypes |
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Note: polytype 2O |
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_database_code_amcsd 0001688 |
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16.3721 8.7492 7.4020 90 90 90 Pnca |
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atom x y z occ Uiso |
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Ti 0 .5 0 .9 .0310 |
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Zr 0 .5 0 .1 .0310 |
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Si1 .0825 .1613 .1247 .0312 |
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Si2 .1567 .4399 .2603 .0161 |
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Na .1023 .6911 .6220 .063 |
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O1 .1599 .2612 .2006 .025 |
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O2 .0501 .0372 .2695 .028 |
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O3 .0074 .2704 .0633 .025 |
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O4 .1162 .0507 -.0389 .033 |
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O5 .1115 .5394 .1052 .021 |
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O6 .25 .5 .2705 .016 |
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OW .1954 .6844 -.1548 .049 |
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H1 .173 .586 -.108 .10 |
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H2 .242 .650 -.232 .14 |
|
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|   |
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Penkvilksite |
 |
Merlino S, Pasero M, Artioli G, Khomyakov A P |
 |
American Mineralogist 79 (1994) 1185-1193 |
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Penkvilksite, a new kind of silicate structure: OD character, X-ray |
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single-crystal (1M), and powder Rietveld (2O) refinements of two MDO polytypes |
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Note: polytype 1M |
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Data has been corrected according to the ICSD |
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_database_code_amcsd 0001689 |
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8.956 8.727 7.387 90 112.74 90 P2_1/c |
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atom x y z Uiso |
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Ti 0 .5 0 .0072 |
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Si1 .1598 .1599 .1981 .0081 |
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Si2 .3138 .4423 .4067 .0082 |
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Na .1928 .6912 .7136 .0266 |
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O1 .3136 .2621 .3462 .0124 |
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O2 .1032 .0379 .3202 .0118 |
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O3 .0207 .2781 .0677 .0119 |
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O4 .2347 .0519 .0704 .0126 |
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O5 .2091 .5387 .2153 .0109 |
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O6 .5 0 0 .0142 |
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OW .3696 .6888 .0286 .0451 |
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H1 .330 .605 .093 .17 |
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H2 .488 .667 .066 .17 |
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Nacaphite |
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Sokolova E V, Kabalov Y K, Ferraris G, Schneider J, Khomyakov A P |
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The Canadian Mineralogist 37 (1999) 83-90 |
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Modular approach in solving the crystal structure of a synthetic dimorph of |
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nacaphite, Na2Ca[PO4]F, from powder-diffraction data |
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_database_code_amcsd 0005594 |
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7.0179 7.0179 40.56 90 90 120 R3m |
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atom x y z occ Biso |
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Na1 .171 -.171 .270 2/3 1.5 |
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Ca1 .171 -.171 .270 1/3 1.5 |
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Na2 .170 -.170 .131 2/3 1.5 |
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Ca2 .170 -.170 .131 1/3 1.5 |
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Na3 .162 -.162 .400 2/3 1.5 |
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Ca3 .162 -.162 .400 1/3 1.5 |
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Na4 .158 -.158 .536 2/3 1.5 |
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Ca4 .158 -.158 .536 1/3 1.5 |
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Na5 .160 -.160 .673 2/3 1.5 |
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Ca5 .160 -.160 .673 1/3 1.5 |
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P1 0 0 .195 1.2 |
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P2 0 0 .938 1.2 |
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P3 0 0 .327 1.1 |
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P4 0 0 .805 1.2 |
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P5 0 0 .069 1.1 |
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O1 0 0 .159 2.0 |
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O2 0 0 .289 1.0 |
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O3 0 0 .031 2.1 |
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O4 0 0 .767 3.9 |
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O5 0 0 .900 2.2 |
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O6 .116 -.116 .215 1.2 |
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O7 .541 -.541 .274 1.3 |
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O8 .543 -.543 .139 1.8 |
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O9 .119 -.119 .345 1.2 |
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O10 .882 -.882 .083 2.0 |
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F1 0 0 .423 1.4 |
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F2 0 0 .569 1.2 |
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F3 0 0 .647 2.2 |
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F4 0 0 .704 1.4 |
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F5 0 0 .495 1.4 |
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|
|   |
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Malinkoite |
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Sokolova E V, Hawthorne F C, Khomyakov A P |
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The Canadian Mineralogist 39 (2001) 159-169 |
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The crystal chemistry of malinkoite, NaBSiO4, and lisitsynite, KBSi2O6, |
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from the Khibina-Lovozero complex, Kola Peninsula, Russia |
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Locality: Khibina-Lovozero complex, Kola Peninsula, Russia |
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_database_code_amcsd 0005709 |
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13.8964 13.8964 7.7001 90 90 120 P6_3 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si1 .87861 .78275 .3325 .0077 .0070 .0065 .0099 .0035 .0009 .0004 |
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Si2 .78805 .55086 .7395 .0061 .0062 .0072 .0056 .0038 -.0006 .0005 |
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Si3 .43112 .54549 .7456 .0061 .0060 .0061 .0057 .0026 .0008 .0009 |
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B1 .5524 .7657 .8665 .0086 .0075 .0087 .0079 .0029 -.0014 .0010 |
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B2 .5670 .4537 .8673 .0089 .0090 .0081 .0107 .0049 -.0002 -.0022 |
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B3 .1206 .2191 .2137 .0054 .0055 .0084 .0033 .0042 -.0010 .0012 |
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Na1 0 0 .0534 .0166 .0183 .0183 .0131 .0091 0 0 |
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Na2 .6542 .6668 .5673 .0135 .0092 .0221 .0056 .0051 .0000 -.0003 |
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Na3 1/3 2/3 .5246 .0183 .0180 .0180 .0190 .0090 0 0 |
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Na4 2/3 1/3 .5233 .0197 .0188 .0188 .0213 .0094 0 0 |
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Na5 .3115 .3262 .5023 .0168 .0207 .0136 .0165 .0089 -.0022 .0005 |
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O1 .8652 .6626 .2871 .0082 .0086 .0067 .0079 .0028 .0036 .0014 |
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O2 .5389 .5350 .7911 .0086 .0082 .0090 .0105 .0057 .0013 .0036 |
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O3 .8012 .6714 .7847 .0080 .0093 .0050 .0088 .0030 .0014 .0008 |
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O4 .8692 .5288 .8639 .0081 .0113 .0095 .0057 .0068 -.0022 -.0020 |
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O5 .0083 .8777 .3118 .0089 .0074 .0086 .0105 .0038 .0036 -.0002 |
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O6 .3931 .5113 .5456 .0103 .0120 .0094 .0052 .0020 -.0005 -.0008 |
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O7 .3269 .4647 .8683 .0087 .0071 .0113 .0076 .0045 .0004 .0034 |
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O8 .8429 .7873 .5327 .0102 .0097 .0143 .0060 .0054 .0002 .0006 |
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O9 .6589 .4559 .7671 .0089 .0042 .0082 .0128 .0020 .0008 -.0014 |
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O10 .8245 .5479 .5418 .0092 .0095 .0143 .0054 .0072 .0015 .0006 |
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O11 .4648 .6758 .7626 .0097 .0089 .0058 .0137 .0032 -.0024 .0000 |
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O12 .7998 .8064 .2049 .0108 .0134 .0097 .0116 .0075 -.0030 -.0003 |
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|
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|
|   |
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Megakalsilite |
| |
Khomyakov A P, Nechelyustov G N, Sokolova E V, Bonaccorsi E, Merlino S, Pasero M |
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The Canadian Mineralogist 40 (2002) 961-970 |
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Megakalsilite, a new polymorph of KAlSiO4 from the Khibina alkaline massif, |
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Kola Peninsula, Russia: mineral description and crystal structure |
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Locality: Khibina alkaline massif, Kola Peninsula, Russia |
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_database_code_amcsd 0005778 |
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18.1111 18.1111 8.4619 90 90 120 P6_3 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si(1) .8321 .8406 .1939 .0110 .0108 .0099 .0119 .0049 -.0006 .0007 |
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Si(2) .6655 .6652 .7939 .0106 .0106 .0104 .0109 .0052 -.0007 .0004 |
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Si(3) .6578 .4940 .1784 .0111 .0110 .0102 .0120 .0052 .0010 -.0004 |
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Si(4) .5039 .6775 .1778 .0116 .0118 .0103 .0126 .0055 .0001 -.0016 |
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Al(1) .8303 .8381 .8114 .0108 .0106 .0106 .0112 .0052 .0001 .0017 |
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Al(2) .6683 .6682 .1834 .0110 .0115 .0108 .0107 .0055 -.0002 .0002 |
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Al(3) .6554 .4915 .7961 .0109 .0122 .0111 .0105 .0066 .0002 -.0001 |
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Al(4) .5014 .6761 .7962 .0110 .0102 .0104 .0120 .0050 .0009 .0006 |
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K(1) 0 0 .4862 .0201 .0206 .0206 .0192 .0103 0 0 |
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K(2) 2/3 1/3 .5052 .0208 .0204 .0204 .0218 .0102 0 0 |
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K(3) 1/3 2/3 .5048 .0217 .0209 .0209 .0233 .0105 0 0 |
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K(4) .4776 .0047 .4916 .0230 .0291 .0213 .0208 .0141 -.0007 .0021 |
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K(5) .6665 .8126 .4946 .0235 .0238 .0264 .0199 .0123 .0023 .0007 |
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K(6) .8049 .6675 .4956 .0233 .0229 .0229 .0240 .0113 .0039 .0072 |
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O(1) .8161 .8533 .0101 .0175 .0188 .0200 .0150 .0106 -.0011 -.0008 |
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O(2) .6699 .6650 .9824 .0198 .0278 .0201 .0121 .0125 -.0003 -.0015 |
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O(3) .6272 .4778 .9951 .0155 .0150 .0171 .0143 .0078 -.0003 .0025 |
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O(4) .5164 .7065 .9940 .0171 .0203 .0159 .0135 .0079 .0003 -.0023 |
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O(5) .9308 .8671 .2178 .0172 .0130 .0167 .0221 .0074 -.0022 .0040 |
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O(6) .7365 .4676 .7714 .0163 .0131 .0167 .0204 .0083 .0062 .0036 |
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O(7) .8009 .3960 .2724 .0151 .0152 .0115 .0193 .0073 .0036 -.0006 |
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O(8) .9075 .8084 .7999 .0183 .0199 .0231 .0166 .0142 .0053 .0038 |
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O(9) .5250 .7663 .6852 .0178 .0187 .0188 .0202 .0127 .0072 .0065 |
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O(10) .4361 .5771 .1895 .0193 .0198 .0116 .0227 .0049 .0052 -.0011 |
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O(11) .7702 .7420 .2507 .0155 .0148 .0128 .0173 .0059 -.0043 .0002 |
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O(12) .8981 .5948 .7519 .0160 .0138 .0162 .0137 .0042 .0024 -.0028 |
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O(13) .9256 .3585 .2558 .0151 .0156 .0228 .0119 .0135 -.0029 -.0028 |
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O(14) .3587 .9297 .7338 .0161 .0190 .0122 .0188 .0092 .0040 .0026 |
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O(15) .5944 .9066 .2253 .0155 .0108 .0131 .0175 .0023 .0017 -.0039 |
|
O(16) .7348 .7584 .7258 .0168 .0172 .0150 .0159 .0062 -.0024 -.0005 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fersmanite |
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Sokolova E V, Hawthorne F C, Khomyakov A P |
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The Canadian Mineralogist 40 (2002) 1421-1428 |
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The crystal chemistry of fersmanite, Ca4(Na,Ca)4(Ti,Nb)4(Si2O7)2O8F3 |
|
_database_code_amcsd 0005791 |
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10.183 10.183 20.396 90 97.19 90 C2/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ti-M1 .10817 .56293 .18725 .595 .0149 .0141 .0146 .0160 -.00003 .00143 -.00018 |
|
Nb-M1 .10817 .56293 .18725 .405 .0149 .0141 .0146 .0160 -.00003 .00143 -.00018 |
|
Ti-M2 .14013 .81125 .31258 .60 .0145 .0133 .0147 .0152 -.00001 .00043 -.00040 |
|
Nb-M2 .14013 .81125 .31258 .40 .0145 .0133 .0147 .0152 -.00001 .00043 -.00040 |
|
Ca-A1 .33102 1.06505 .06387 .985 .0192 .0199 .0210 .0166 -.0062 .0011 .0002 |
|
Fe-A1 .33102 1.06505 .06387 .007 .0192 .0199 .0210 .0166 -.0062 .0011 .0002 |
|
Mn-A1 .33102 1.06505 .06387 .008 .0192 .0199 .0210 .0166 -.0062 .0011 .0002 |
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Ca-A2 .07673 .81020 .06675 .985 .0194 .0199 .0207 .0171 -.0067 .0009 -.0003 |
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Fe-A2 .07673 .81020 .06675 .008 .0194 .0199 .0207 .0171 -.0067 .0009 -.0003 |
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Mn-A2 .07673 .81020 .06675 .007 .0194 .0199 .0207 .0171 -.0067 .0009 -.0003 |
|
Na-A3 .38457 .55893 .30528 .58 .0239 .0240 .0236 .0243 -.0025 .0045 .0021 |
|
Ca-A3 .38457 .55893 .30528 .40 .0239 .0240 .0236 .0243 -.0025 .0045 .0021 |
|
Sr-A3 .38457 .55893 .30528 .02 .0239 .0240 .0236 .0243 -.0025 .0045 .0021 |
|
Na-A4 .35750 .81652 .19449 .605 .0230 .0212 .0232 .0236 .0027 -.0006 .0023 |
|
Ca-A4 .35750 .81652 .19449 .375 .0230 .0212 .0232 .0236 .0027 -.0006 .0023 |
|
Sr-A4 .35750 .81652 .19449 .02 .0230 .0212 .0232 .0236 .0027 -.0006 .0023 |
|
Si1 -.06952 .70163 -.08346 .0141 .0132 .0146 .0139 .0000 -.0008 -.0022 |
|
Si2 .15357 .92428 -.08300 .0145 .0143 .0148 .0147 .0003 .0026 .0022 |
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O1 -.2105 .7588 -.11832 .0233 .0195 .0256 .0235 .0064 -.0020 -.0042 |
|
O2 -.0213 .5686 -.11832 .0231 .0251 .0205 .0223 .0051 -.0021 -.0056 |
|
O3 -.0622 .6891 -.00553 .0245 .0294 .0277 .0161 -.0078 .0013 -.0004 |
|
O4 .0366 .8130 -.10396 .0287 .0275 .0256 .0327 -.0140 .0030 .0020 |
|
O5 .0878 1.0567 -.11826 .0238 .0289 .0209 .0230 .0074 .0092 .0049 |
|
O6 .1849 .9365 -.00537 .0283 .0321 .0364 .0160 -.0100 .0009 -.0003 |
|
O7 .2773 .8675 -.11807 .0242 .0222 .0290 .0224 .0059 .0066 .0090 |
|
O8 .2586 .9371 .28388 .0190 .0188 .0187 .0192 -.0030 .0017 .0011 |
|
O9 .1915 .6872 .24989 .0188 .0198 .0196 .0169 -.0022 .0021 -.0042 |
|
O10 .0264 .6869 .35313 .0166 .0159 .0147 .0193 -.0003 .0022 -.0014 |
|
O11 0 .4963 .25 .0184 .0185 .0206 .0160 0 .0026 0 |
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O12 0 .8787 .25 .0204 .0215 .0175 .0210 0 -.0022 0 |
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F1 .2213 .9385 .13101 .0217 .0225 .0238 .0184 -.0032 .0018 -.0008 |
|
F2 .5 .6876 .25 .0266 .0260 .0233 .0300 0 .0019 0 |
|
|
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|
|   |
|
Nepheline |
 |
Tait K T, Sokolova E V, Hawthorne F C, Khomyakov A P |
 |
The Canadian Mineralogist 41 (2003) 61-70 |
|
The crystal chemistry of nepheline |
|
Note: sample 1 |
|
Locality: Khibina-Lovozero complex, Kola peninsula, Russia |
|
_database_code_amcsd 0005822 |
|
9.9995 9.9995 8.384 90 90 120 P6_3 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
KA 0 0 .01170 .955 .02164 .01898 .01898 .0270 .00949 0 0 |
|
NaB .99905 .55466 .5178 .02311 .0311 .0238 .0193 .0174 -.0013 .0010 |
|
AlT1 2/3 1/3 .2121 .97 .01011 .0096 .0096 .0112 .00478 0 0 |
|
SiT1 2/3 1/3 .2121 .02 .01011 .0096 .0096 .0112 .00478 0 0 |
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FeT1 2/3 1/3 .2121 .01 .01011 .0096 .0096 .0112 .00478 0 0 |
|
SiT2 1/3 2/3 .3222 .01037 .0101 .0101 .0109 .00506 0 0 |
|
SiT3 .75946 .66605 .33229 .00985 .0091 .0096 .0115 .0051 -.0001 -.0002 |
|
AlT4 .09249 .75965 .20566 .97 .00899 .0077 .0084 .0107 .0038 .0001 -.0001 |
|
SiT4 .09249 .75965 .20566 .02 .00899 .0077 .0084 .0107 .0038 .0001 -.0001 |
|
FeT4 .09249 .75965 .20566 .01 .00899 .0077 .0084 .0107 .0038 .0001 -.0001 |
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O1 .3697 .696 .5103 1/3 .027 .017 .049 .0091 .013 .002 .005 |
|
O2 .71067 .68560 .5113 .02036 .0170 .0384 .0107 .0176 -.0007 -.0003 |
|
O3 .1728 .6484 .2610 .0274 .0111 .0104 .0618 .0063 -.0042 .0030 |
|
O4 .6516 .48999 .2766 .0240 .0140 .0105 .0484 .0075 -.0061 -.0086 |
|
O5 .94000 .71478 .3346 .0136 .0097 .0174 .0133 .0065 .0001 -.0014 |
|
O6 .73563 .77827 .2110 .0166 .0211 .0163 .0185 .0138 .0026 .0041 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Nepheline |
 |
Tait K T, Sokolova E V, Hawthorne F C, Khomyakov A P |
 |
The Canadian Mineralogist 41 (2003) 61-70 |
|
The crystal chemistry of nepheline |
|
Note: sample 2 |
|
Locality: Bancroft, Ontario, Canada |
|
_database_code_amcsd 0005823 |
|
9.985 9.985 8.372 90 90 120 P6_3 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
KA 0 0 .01170 .80 .0241 .0204 .0204 .0316 .01019 0 0 |
|
CaA 0 0 .01170 .04 .0241 .0204 .0204 .0316 .01019 0 0 |
|
NaB .99813 .55455 .5174 .02352 .0312 .0241 .0204 .0176 -.0017 .0002 |
|
AlT1 2/3 1/3 .2114 .97 .0119 .0108 .0108 .0142 .0054 0 0 |
|
SiT1 2/3 1/3 .2114 .03 .0119 .0108 .0108 .0142 .0054 0 0 |
|
SiT2 1/3 2/3 .3225 .0118 .0123 .0123 .0110 .00613 0 0 |
|
SiT3 .75966 .66575 .3322 .01130 .0107 .0109 .0129 .0058 .0004 .0003 |
|
AlT4 .09294 .76047 .2056 .94 .01051 .0082 .0095 .0127 .0036 .0001 -.0001 |
|
SiT4 .09294 .76047 .2056 .06 .01051 .0082 .0095 .0127 .0036 .0001 -.0001 |
|
O1 .3720 .694 .5091 1/3 .035 .017 .072 .012 .020 .0070 .029 |
|
O2 .71056 .68338 .5121 .0243 .0187 .0462 .0140 .0208 -.0012 .0030 |
|
O3 .1731 .6497 .2621 .0314 .0131 .0119 .0692 .0064 -.0058 .0017 |
|
O4 .6516 .4889 .2759 .0263 .0148 .0113 .0541 .0076 -.0083 -.0078 |
|
O5 .9399 .7137 .3328 .0141 .0090 .0178 .0161 .0072 .0004 -.0012 |
|
O6 .7341 .7764 .2111 .0188 .0223 .0208 .0202 .0159 .0035 .0030 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Nepheline |
 |
Tait K T, Sokolova E V, Hawthorne F C, Khomyakov A P |
 |
The Canadian Mineralogist 41 (2003) 61-70 |
|
The crystal chemistry of nepheline |
|
Note: sample 3 |
|
Locality: Monte Somma, Italy |
|
_database_code_amcsd 0005824 |
|
9.9979 9.9979 8.3852 90 90 120 P6_3 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
KA 0 0 .01170 .88 .02170 .01841 .01841 .0283 .00920 0 0 |
|
NaB .99817 .55432 .5179 .98 .02255 .0305 .0230 .0190 .01703 -.0011 .0008 |
|
CaB .99817 .55432 .5179 .02 .02255 .0305 .0230 .0190 .01703 -.0011 .0008 |
|
AlT1 2/3 1/3 .2118 .99 .01030 .0098 .0098 .0113 .00491 0 0 |
|
SiT1 2/3 1/3 .2118 .01 .01030 .0098 .0098 .0113 .00491 0 0 |
|
SiT2 1/3 2/3 .32226 .01048 .01035 .01035 .0107 .00517 0 0 |
|
SiT3 .75948 .66603 .33221 .00994 .00933 .00965 .0117 .00538 -.0001 -.00061 |
|
AlT4 .09289 .76022 .20557 .98 .00960 .0081 .0085 .0117 .00376 .0003 -.0002 |
|
SiT4 .09289 .76022 .20557 .01 .00960 .0081 .0085 .0117 .00376 .0003 -.0002 |
|
FeT4 .09289 .76022 .20557 .01 .00960 .0081 .0085 .0117 .00376 .0003 -.0002 |
|
O(1) .3698 .7021 .5099 1/3 .0273 .027 .043 .0088 .0152 -.001 .001 |
|
O(2) .71021 .68420 .5111 .02174 .0178 .0416 .0112 .0189 .0009 .0011 |
|
O(3) .17348 .64926 .2616 .0290 .0096 .0124 .0657 .0060 -.0042 .0032 |
|
O(4) .65115 .48976 .2757 .0251 .0133 .0097 .0531 .0062 -.0061 -.0083 |
|
O(5) .94001 .71420 .3341 .0146 .0098 .0189 .0151 .0073 .0011 -.0008 |
|
O(6) .73421 .77705 .2109 .0167 .0220 .0172 .0175 .0147 .0036 .0040 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Paravinogradovite |
| |
Khomyakov A P, Kulikova I E, Sokolova E V, Hawthorne F C, Kartashov P M |
 |
The Canadian Mineralogist 41 (2003) 989-1002 |
|
Paravinogradovite, (Na,_)2[(Ti,Fe)4{Si2O6}2{Si3AlO10}(OH)4]H2O, a new mineral species |
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from the Khibina Alkaline Massif, Kola Penninsula, Russia: Description and crystal structure |
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Locality: Khibina Alkaline Massif, Kola Penninsula, Russia |
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_database_code_amcsd 0005880 |
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5.2533 8.7411 12.9480 70.466 78.472 89.932 P1 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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NaX(1) -.0044 .4533 .2092 .76 .0213 .022 .017 .027 .0033 -.0120 -.0075 |
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NaX(2) -.5125 -.1599 .2099 .43 .018 .014 .026 .017 .007 -.009 -.008 |
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NaX(3) -.522 .154 -.202 .16 .048 .054 .025 .09 .001 -.051 -.031 |
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NaA(1) -.144 -.007 -.5069 .18 .05 |
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NaA(2) -.338 -.009 -.4949 .20 .05 |
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NaA(3) .250 -.007 -.504 .15 .05 |
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NaA(4) .403 -.069 -.5053 .19 .05 |
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KA(5) -.167 .119 -.5018 .13 .05 |
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TiM(1) -.0026 .04863 .19107 .88 .0101 .0126 .0087 .0082 .0020 -.0024 -.0017 |
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FeM(1) -.0026 .04863 .19107 .12 .0101 .0126 .0087 .0082 .0020 -.0024 -.0017 |
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TiM(2) -.0129 -.04434 -.19148 .88 .0090 .0090 .0083 .0089 .0003 -.0004 -.0027 |
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FeM(2) -.0129 -.04434 -.19148 .12 .0090 .0090 .0083 .0089 .0003 -.0004 -.0027 |
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TiM(3) -.4946 .26018 .19098 .88 .0109 .0129 .0094 .0106 -.0011 .0003 -.0053 |
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FeM(3) -.4946 .26018 .19098 .12 .0109 .0129 .0094 .0106 -.0011 .0003 -.0053 |
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TiM(4) .4862 -.26523 -.18922 .88 .0086 .0080 .0104 .0077 -.0005 -.0002 -.0042 |
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FeM(4) .4862 -.26523 -.18922 .12 .0086 .0080 .0104 .0077 -.0005 -.0002 -.0042 |
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SiT(1) .2915 .3566 -.03811 .90 .0077 .0075 .0078 .0081 .0007 -.0007 -.0037 |
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AlT(1) .2915 .3566 -.03811 .10 .0077 .0075 .0078 .0081 .0007 -.0007 -.0037 |
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SiT(2) -.3067 -.3511 .03801 .0082 .0070 .0075 .0090 .0006 -.0027 -.0008 |
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SiT(3) -.2082 .1883 -.04019 .0079 .0066 .0109 .0065 .0020 -.0010 -.0035 |
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SiT(4) .1950 -.1767 .03601 .70 .0068 .0049 .0064 .0092 -.0008 -.0010 -.0029 |
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BeT(4) .1950 -.1767 .03601 .30 .0068 .0049 .0064 .0092 -.0008 -.0010 -.0029 |
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SiT(5) .2062 .3336 -.36896 .0109 .0123 .0107 .0074 -.0002 -.0009 -.0005 |
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SiT(6) -.6435 .4611 .37055 .0109 .0099 .0134 .0088 .0004 -.0012 -.0034 |
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SiT(7) .7022 -.4672 -.36715 .0116 .0151 .0113 .0082 -.0015 .0006 -.0046 |
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SiT(8) -.1473 -.3384 .37178 .0081 .0082 .0068 .0085 -.0001 -.0002 -.0023 |
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O(1) .2298 .2759 .1001 .0089 .009 .006 .010 .0003 -.0023 -.001 |
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O(2) -.2727 .1280 .0982 .0092 .010 .009 .008 -.0013 -.0015 -.002 |
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O(3) .1820 -.0266 .0796 .0125 .013 .014 .015 .0026 -.004 -.010 |
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O(4) -.3190 .4508 .0874 .0127 .012 .011 .011 -.0035 -.0032 .002 |
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Oh(5) -.2230 .1845 .2703 .0090 .010 .009 .007 -.0020 .0009 -.002 |
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Oh(6) .2806 .0462 .2696 .0102 .013 .010 .006 -.0019 -.0028 -.001 |
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O(7) .0622 .2984 -.0880 .0117 .007 .017 .012 -.0074 -.0018 -.007 |
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O(8) .5633 .2926 -.0873 .0103 .008 .011 .011 .0024 -.0021 -.004 |
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O(9) -.1598 -.1403 .2851 .0138 .020 .011 .007 -.003 -.003 .002 |
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O(10) -.2439 -.3399 .5074 .0259 .047 .014 .014 .003 -.004 -.003 |
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O(11) -.6661 .3483 .2922 .0153 .016 .018 .017 .0035 -.004 -.010 |
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O(12) -.8384 .6044 .3455 .0182 .017 .019 .018 .0018 .0009 -.0092 |
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O(13) -.3498 .5320 .3436 .0199 .016 .019 .024 -.0019 -.0023 -.007 |
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Oh(14) .2123 -.1833 -.2710 .0144 .011 .021 .014 .010 -.007 -.008 |
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Oh(15) -.2848 -.0542 -.2727 .0141 .011 .014 .016 -.0005 -.001 -.005 |
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O(16) .2560 -.1311 -.0987 .0100 .007 .014 .008 -.0013 .0002 -.005 |
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O(17) -.2460 -.2707 -.0975 .0102 .011 .015 .004 -.0011 -.0028 -.000 |
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O(18) -.1855 .0323 -.0837 .0116 .009 .010 .017 .0020 -.0015 -.007 |
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O(19) -.0820 -.2910 .0875 .0103 .006 .015 .007 -.0017 -.0002 -.001 |
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O(20) .3102 .5513 -.0778 .0107 .011 .007 .014 .0039 -.0024 -.003 |
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O(21) -.5839 -.2929 .0880 .0128 .010 .018 .006 .0044 -.0011 .002 |
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O(22) .1528 .1419 -.2923 .0175 .015 .014 .017 -.008 .004 -.002 |
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O(23) .2698 .3409 -.4990 .0188 .027 .020 .006 -.001 .003 -.003 |
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O(24) .6509 -.3643 -.2839 .0197 .025 .023 .015 .008 -.003 -.012 |
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O(25) .9577 -.5687 -.3444 .0359 .034 .042 .027 .018 .001 -.009 |
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O(26) .4552 .4075 -.3431 .0312 .041 .027 .020 -.019 -.008 -.001 |
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Wat(27) .260 -.1620 -.5003 .48 .05 |
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Wat(28) -.316 .120 -.4936 .38 .05 |
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Wat(29) .092 -.065 -.4922 .31 .05 |
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H(1) -.239 .151 .3484 .0108 |
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H(2) .276 -.042 .345 .012 |
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H(3) .118 -.243 -.309 .017 |
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H(4) -.360 .029 -.298 .017 |
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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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Seidite-(Ce) |
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Ferraris G, Belluso E, Gula A, Soboleva S V, Khomyakov A P |
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The Canadian Mineralogist 41 (2003) 1183-1192 |
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The crystal structure of seidite-(Ce), Na4(Ce,Sr)2{Ti(OH)2(Si8O18)}(O,OH,F)4.5H2O, |
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a modular microporous titanosilicate of the rhodesite group |
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_database_code_amcsd 0005884 |
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24.61 7.23 14.53 90 94.6 90 C2/c |
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atom x y z occ |
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Si1 .136 .008 .083 |
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Si2 .126 .068 .870 |
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Si3 .185 .254 .260 |
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Si4 .183 .699 .212 |
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Ti 0 0 0 .86 |
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Nb 0 0 0 .06 |
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Mn 0 0 0 .05 |
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Fe 0 0 0 .02 |
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Ce .195 .750 .960 .21 |
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La .195 .750 .960 .15 |
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Nd .195 .750 .960 .05 |
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Pr .195 .750 .960 .02 |
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Sm .195 .750 .960 .01 |
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Sr .195 .750 .960 .27 |
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Ca .195 .750 .960 .10 |
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Th .195 .750 .960 .06 |
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Na1 .061 .759 .215 .80 |
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K1 .061 .759 .215 .07 |
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Ba1 .061 .759 .215 .03 |
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Na2 .159 .370 .045 .80 |
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K2 .159 .370 .045 .07 |
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Ba2 .159 .370 .045 .03 |
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O1 .071 .966 .072 |
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O2 .150 .048 .977 |
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O3 .157 .204 .800 |
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O4 .068 .102 .915 |
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O5 .161 .807 .116 |
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O6 .251 .225 .273 |
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O7 .159 .134 .171 |
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O8 .180 .475 .231 |
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O9 .149 .885 .819 |
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OH10 .987 .264 .036 |
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Wat11 0 .473 .25 |
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Wat12 0 .091 .25 |
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Wat13 .062 .512 .043 |
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O14 .265 .944 .932 |
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Wat15 .25 .25 0 |
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O16 .127 .514 .909 .11 |
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OH16 .127 .514 .909 .40 |
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F16 .127 .514 .909 .42 |
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Olgite |
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Sokolova E, Hawthorne F C, Khomyakov A P |
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The Canadian Mineralogist 43 (2005) 1521-1526 |
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Refinement of the crystal structure and revision of the |
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chemical formula of olgite: (Ba,Sr) (Na,Sr,REE)2 Na [PO4]2 |
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Locality: Lovozero alkaline massif, Kola Peninsula, Russia |
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Sample: I |
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_database_code_amcsd 0006063 |
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5.5606 5.5606 7.0450 90 90 120 P-3m1 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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BaM1 0 0 .5 .76 .0362 .0472 .0472 .0140 .0236 0 0 |
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SrM1 0 0 .5 .20 .0362 .0472 .0472 .0140 .0236 0 0 |
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KM1 0 0 .5 .04 .0362 .0472 .0472 .0140 .0236 0 0 |
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NaM2 1/3 2/3 .1634 .575 .0210 .0228 .0228 .0174 .0114 0 0 |
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SrM2 1/3 2/3 .1634 .34 .0210 .0228 .0228 .0174 .0114 0 0 |
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LaM2 1/3 2/3 .1634 .05 .0210 .0228 .0228 .0174 .0114 0 0 |
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CaM2 1/3 2/3 .1634 .02 .0210 .0228 .0228 .0174 .0114 0 0 |
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CeM2 1/3 2/3 .1634 .01 .0210 .0228 .0228 .0174 .0114 0 0 |
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NaM3 0 0 0 .97 .0145 .0155 .0155 .0125 .0078 0 0 |
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MnM3 0 0 0 .03 .0145 .0155 .0155 .0125 .0078 0 0 |
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P 2/3 1/3 .2818 .0131 .0135 .0135 .0123 .0068 0 0 |
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O1 .3703 .18515 .2039 .0392 .0235 .0453 .0415 .0117 -.0171 -.0085 |
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O2 2/3 1/3 .4969 .0345 .044 .044 .015 .0222 0 0 |
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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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|   |
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Olgite |
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Sokolova E, Hawthorne F C, Khomyakov A P |
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The Canadian Mineralogist 43 (2005) 1521-1526 |
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Refinement of the crystal structure and revision of the |
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chemical formula of olgite: (Ba,Sr) (Na,Sr,REE)2 Na [PO4]2 |
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Locality: Lovozero alkaline massif, Kola Peninsula, Russia |
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Sample: III |
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_database_code_amcsd 0006064 |
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5.5492 5.5492 7.0286 90 90 120 P-3m1 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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BaM1 0 0 .5 .88 .0405 .0535 .0535 .0145 .0268 0 0 |
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SrM1 0 0 .5 .12 .0405 .0535 .0535 .0145 .0268 0 0 |
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NaM2 1/3 2/3 .16315 .62 .0223 .0247 .0247 .0177 .0123 0 0 |
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SrM2 1/3 2/3 .16315 .33 .0223 .0247 .0247 .0177 .0123 0 0 |
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CeM2 1/3 2/3 .16315 .03 .0223 .0247 .0247 .0177 .0123 0 0 |
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LaM2 1/3 2/3 .16315 .02 .0223 .0247 .0247 .0177 .0123 0 0 |
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NaM3 0 0 0 .96 .0165 .017 .0173 .0149 .0087 0 0 |
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CaM3 0 0 0 .04 .0165 .017 .0173 .0149 .0087 0 0 |
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P 1/3 2/3 .7173 .0142 .0150 .0150 .0126 .0075 0 0 |
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O1 .3706 .1853 .2048 .0428 .0255 .0499 .0448 .0127 -.0194 -.0097 |
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O2 1/3 2/3 .5023 .0365 .047 .047 .016 .0234 0 0 |
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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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Polyphite |
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Sokolova E, Hawthorne F C, Khomyakov A P |
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The Canadian Mineralogist 43 (2005) 1527-1544 |
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Polyphite and sobolevite: Revision of their crystal structures |
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Locality: Khibina-Lovozero alkaline complex, Kola peninsula, Russia |
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_database_code_amcsd 0006065 |
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5.3933 7.0553 26.451 95.216 93.490 90.101 P-1 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na1 .1808 .66982 .23045 .0270 .0367 .0170 .0280 .0003 .0054 .0040 |
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Na2 .6214 .38767 .21296 .0225 .0311 .0171 .0185 .0036 -.0023 -.0002 |
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Na3 .1324 .38779 .12660 .0195 .0218 .0213 .0152 .0001 -.0006 .0026 |
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Na4 -.2427 .88253 -.00295 .0195 .0128 .0152 .0280 .0032 -.0070 -.0064 |
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Na5 .6373 .91134 .19672 .0189 .0272 .0129 .0161 -.0021 -.0007 -.0009 |
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CaA1 .22160 -.04447 .35026 .41 .0186 .0220 .0172 .0168 -.0008 .0023 .0018 |
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NaA1 .22160 -.04447 .35026 .36 .0186 .0220 .0172 .0168 -.0008 .0023 .0018 |
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MnA1 .22160 -.04447 .35026 .20 .0186 .0220 .0172 .0168 -.0008 .0023 .0018 |
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SrA1 .22160 -.04447 .35026 .03 .0186 .0220 .0172 .0168 -.0008 .0023 .0018 |
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NaA2 .67082 .17653 .31741 .55 .0110 .0104 .0135 .0090 -.0005 .0002 .0013 |
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MnA2 .67082 .17653 .31741 .23 .0110 .0104 .0135 .0090 -.0005 .0002 .0013 |
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MgA2 .67082 .17653 .31741 .17 .0110 .0104 .0135 .0090 -.0005 .0002 .0013 |
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CaA2 .67082 .17653 .31741 .05 .0110 .0104 .0135 .0090 -.0005 .0002 .0013 |
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NaA3 .77837 .76266 .54343 .66 .0149 .0189 .0139 .0118 .0028 .0016 .0003 |
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CaA3 .77837 .76266 .54343 .21 .0149 .0189 .0139 .0118 .0028 .0016 .0003 |
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MnA3 .77837 .76266 .54343 .13 .0149 .0189 .0139 .0118 .0028 .0016 .0003 |
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NaA4 .73596 .46190 .41983 .55 .0142 .0221 .0111 .0088 -.0022 -.0025 .0002 |
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CaA4 .73596 .46190 .41983 .35 .0142 .0221 .0111 .0088 -.0022 -.0025 .0002 |
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MnA4 .73596 .46190 .41983 .10 .0142 .0221 .0111 .0088 -.0022 -.0025 .0002 |
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NaA5 .21592 .43500 .34468 .80 .0170 .0198 .0151 .0166 .0023 .0025 .0034 |
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CaA5 .21592 .43500 .34468 .20 .0170 .0198 .0151 .0166 .0023 .0025 .0034 |
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NaA6 .7387 .98070 .42440 .82 .0198 .0260 .0169 .0170 .0003 .0009 .0039 |
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CaA6 .7387 .98070 .42440 .18 .0198 .0260 .0169 .0170 .0003 .0009 .0039 |
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TiM1 .13165 -.10753 .11831 .78 .00654 .00509 .00571 .00889 .00019 .00055 .00093 |
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NbM1 .13165 -.10753 .11831 .19 .00654 .00509 .00571 .00889 .00019 .00055 .00093 |
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ZrM1 .13165 -.10753 .11831 .03 .00654 .00509 .00571 .00889 .00019 .00055 .00093 |
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TiM2 .22811 .61396 .00406 .63 .01124 .0161 .0095 .0080 .00279 -.00034 .00085 |
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ZrM2 .22811 .61396 .00406 .155 .01124 .0161 .0095 .0080 .00279 -.00034 .00085 |
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MgM2 .22811 .61396 .00406 .13 .01124 .0161 .0095 .0080 .00279 -.00034 .00085 |
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Fe2+M2 .22811 .61396 .00406 .065 .01124 .0161 .0095 .0080 .00279 -.00034 .00085 |
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MnM2 .22811 .61396 .00406 .02 .01124 .0161 .0095 .0080 .00279 -.00034 .00085 |
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P1 .28000 .73333 .46176 .01095 .0128 .0103 .0098 .0001 .0008 .0012 |
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P2 .12365 .15773 .23490 .01146 .0131 .0103 .0109 .0005 .0008 .0003 |
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P3 .73298 .68636 .30796 .01209 .0131 .0129 .0102 .0010 .0002 .0012 |
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Si1 .63422 .17405 .09611 .00993 .0132 .0077 .0089 -.0001 .0001 .0009 |
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Si2 .62121 .60845 .10685 .00866 .0111 .0070 .0077 .0000 -.0002 .0004 |
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O1 .1802 .5498 .43195 .0303 .0508 .0201 .0188 -.0157 .0006 -.0031 |
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O2 .8826 .0831 .11853 .0458 .0570 .0507 .0249 .0439 -.0167 -.0105 |
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O3 .3927 .0756 .11318 .0496 .0605 .0591 .0284 -.0496 .0185 -.0100 |
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O4 .5823 .5958 .04495 .0139 .0207 .0133 .0074 .0002 -.0001 .0006 |
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O5 .1789 -.0258 .20012 .0156 .0227 .0121 .0116 .0033 -.0003 .0002 |
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O6 .6287 .6795 .25292 .0220 .0307 .0204 .0141 -.0008 -.0072 .0023 |
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O7 .0186 .6935 .30991 .0228 .0144 .0273 .0272 .0007 .0004 .0064 |
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O8 .6329 .1810 .03572 .0152 .0178 .0187 .0089 -.0000 .0005 .0007 |
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O9 .0787 .4105 .03788 .0130 .0180 .0112 .0099 -.0001 .0012 .0018 |
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O10 .6342 .3909 .12426 .0193 .0394 .0077 .0109 .0025 .0011 .0010 |
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O11 .5663 .7295 .4638 .0261 .0138 .0341 .0318 .0017 .0012 .0101 |
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O12 .1133 -.1768 .04920 .0169 .0157 .0242 .0104 -.0024 .0002 .0008 |
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O13 .1887 .3376 .21064 .0228 .0413 .0114 .0158 -.0048 .0010 .0031 |
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O14 .3845 .6985 .13465 .0234 .0236 .0336 .0125 .0171 .0007 -.0005 |
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O15 .8744 .7061 .13204 .0251 .0260 .0368 .0121 -.0212 .0014 .0008 |
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O16 .1892 .9058 .43481 .0259 .0384 .0200 .0208 .0122 .0030 .0091 |
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O17 .2804 .1511 .28513 .0252 .0370 .0247 .0131 .0037 -.0049 .0014 |
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O18 .1917 .7468 .51586 .0244 .0378 .0250 .0113 .0021 .0083 .0021 |
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O19 -.1530 .1554 .24535 .0307 .0165 .0242 .0503 -.0002 .0097 -.0080 |
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O20 .6514 .5081 .33222 .0309 .0313 .0343 .0300 -.0098 -.0012 .0199 |
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O21 .6389 .8645 .33874 .0362 .0428 .0365 .0254 .0209 -.0045 -.0151 |
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F1 -.0360 .2038 .37737 .0212 .0128 .0245 .0266 .0014 .0012 .0034 |
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F2 .4706 .2107 .38948 .0177 .0135 .0202 .0191 .0000 -.0003 .0004 |
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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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|   |
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Sobolevite |
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Sokolova E, Hawthorne F C, Khomyakov A P |
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The Canadian Mineralogist 43 (2005) 1527-1544 |
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Polyphite and sobolevite: Revision of their crystal structures |
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Locality: Khibina-Lovozero alkaline complex, Kola peninsula, Russia |
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_database_code_amcsd 0006066 |
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7.0755 5.4106 40.623 90 93.156 90 Pc |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na1 -.1112 .3569 -.21275 .0133 .0111 .0140 .0146 -.0024 -.0019 .0047 |
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Na2 .4107 .3090 -.07527 .0353 .0291 .044 .0332 .0099 .0024 -.0154 |
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Na3 -.1408 .1952 .20108 .0284 .0205 .044 .0215 -.0033 .0057 .0198 |
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Na4 .0227 .5150 .06698 .0220 .0107 .0156 .0404 .0004 .0085 -.0004 |
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Na5 .6813 .8643 -.08480 .0192 .0183 .0272 .0118 -.0007 -.0024 .0040 |
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Na6 .3256 .1764 .19063 .0190 .0134 .0325 .0112 -.0038 .0022 .0037 |
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Na7 .5909 .6472 .21383 .0376 .0148 .048 .050 -.0029 .0007 -.0177 |
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Na8 .8201 .6544 .14646 .0154 .0128 .0167 .0164 -.0023 -.0038 -.0013 |
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Na9 -.0613 .3318 -.06369 .0190 .0161 .0171 .0243 .0008 .0050 .0035 |
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Na10 .4527 .8461 -.01722 .0239 .0345 .0221 .0155 -.0008 .0054 .0050 |
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Na11 .3834 .8641 -.15845 .0205 .0161 .0259 .0197 -.0006 .0032 .0034 |
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Na12 .2575 .0006 .06354 .0204 .0295 .0120 .0208 .0076 .0111 .0097 |
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NaA1 .3720 .3620 -.20778 .77 .0144 .0161 .0268 .0000 -.0019 -.0028 -.0013 |
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CaA1 .3720 .3620 -.20778 .20 .0144 .0161 .0268 .0000 -.0019 -.0028 -.0013 |
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SrA1 .3720 .3620 -.20778 .03 .0144 .0161 .0268 .0000 -.0019 -.0028 -.0013 |
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NaA2 .1332 -.1806 -.23131 .39 .0154 .0133 .0168 .0169 -.0010 .0080 -.0028 |
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MnA2 .1332 -.1806 -.23131 .28 .0154 .0133 .0168 .0169 -.0010 .0080 -.0028 |
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CaA2 .1332 -.1806 -.23131 .16 .0154 .0133 .0168 .0169 -.0010 .0080 -.0028 |
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NaA3 .1403 .3293 -.14189 .46 .0215 .0247 .0233 .0158 -.0024 -.0045 -.0014 |
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CaA3 .1403 .3293 -.14189 .27 .0215 .0247 .0233 .0158 -.0024 -.0045 -.0014 |
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MnA3 .1403 .3293 -.14189 .27 .0215 .0247 .0233 .0158 -.0024 -.0045 -.0014 |
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TiM1 .30679 .65537 .14054 .75 .0090 .0079 .0064 .0127 -.0032 .0002 -.0023 |
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NbM1 .30679 .65537 .14054 .135 .0090 .0079 .0064 .0127 -.0032 .0002 -.0023 |
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Fe3+M1 .30679 .65537 .14054 .05 .0090 .0079 .0064 .0127 -.0032 .0002 -.0023 |
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ZrM1 .30679 .65537 .14054 .045 .0090 .0079 .0064 .0127 -.0032 .0002 -.0023 |
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MgM1 .30679 .65537 .14054 .02 .0090 .0079 .0064 .0127 -.0032 .0002 -.0023 |
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TiM2 -.03714 .84831 -.01221 .80 .0051 .0061 .0038 .0056 .0034 .0013 .0011 |
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NbM2 -.03714 .84831 -.01221 .13 .0051 .0061 .0038 .0056 .0034 .0013 .0011 |
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Fe3+M2 -.03714 .84831 -.01221 .05 .0051 .0061 .0038 .0056 .0034 .0013 .0011 |
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MgM2 -.03714 .84831 -.01221 .02 .0051 .0061 .0038 .0056 .0034 .0013 .0011 |
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TiM3 .52398 .5229 .06679 .40 .0131 .0150 .0167 .0078 .0030 .0013 .0019 |
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MnM3 .52398 .5229 .06679 .245 .0131 .0150 .0167 .0078 .0030 .0013 .0019 |
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MgM3 .52398 .5229 .06679 .21 .0131 .0150 .0167 .0078 .0030 .0013 .0019 |
|
NbM3 .52398 .5229 .06679 .10 .0131 .0150 .0167 .0078 .0030 .0013 .0019 |
|
ZrM3 .52398 .5229 .06679 .045 .0131 .0150 .0167 .0078 .0030 .0013 .0019 |
|
TiM4 -.25318 .9826 .06153 .47 .0149 .0083 .0238 .0126 .0040 .0004 .0005 |
|
MnM4 -.25318 .9826 .06153 .225 .0149 .0083 .0238 .0126 .0040 .0004 .0005 |
|
MgM4 -.25318 .9826 .06153 .16 .0149 .0083 .0238 .0126 .0040 .0004 .0005 |
|
NbM4 -.25318 .9826 .06153 .145 .0149 .0083 .0238 .0126 .0040 .0004 .0005 |
|
Ca -.10012 -.1402 -.16378 .0167 .0112 .0158 .0234 -.0013 .0050 -.0034 |
|
P1 .1053 .7026 .21542 .0140 .0162 .0190 .0075 -.0005 .0054 .0017 |
|
P2 .1661 .8018 -.08850 .0125 .0071 .0152 .0148 .0006 -.0020 -.0012 |
|
P3 -.3834 .1110 .26344 .0185 .0152 .0216 .0193 -.0047 .0065 -.0007 |
|
P4 .6556 .3876 -.13664 .0092 .0114 .0110 .0047 .0047 -.0042 .0018 |
|
Si1 .0150 .1477 .12600 .0088 .0062 .0064 .0133 .0017 -.0037 .0029 |
|
Si2 -.3133 .3426 -.00553 .0091 .0029 .0129 .0112 .0045 -.0015 -.0013 |
|
Si3 .5846 .1624 .13313 .0120 .0169 .0091 .0102 -.0042 .0033 .0024 |
|
Si4 .2574 .3607 .00121 .0121 .0129 .0148 .0090 -.0033 .0049 -.0024 |
|
O1 .3415 .6553 .09629 .0252 .034 .018 .024 .001 .001 -.0041 |
|
O2 .5262 .8184 .03928 .5 .0121 .011 .025 .0000 .0024 .0010 -.0043 |
|
F2 .5262 .8184 .03928 .5 .0121 .011 .025 .0000 .0024 .0010 -.0043 |
|
O3 .5160 .4078 .15191 .0179 .023 .011 .020 .0042 -.0029 -.0110 |
|
O4 .15912 .52131 -.09211 .0351 .041 .007 .058 .003 .011 -.010 |
|
O5 .6809 .2961 -.09997 .0165 .012 .038 .0000 -.0077 -.0042 .0148 |
|
O6 .4948 .9219 .14830 .0225 .028 .024 .015 -.014 -.0068 -.0007 |
|
O7 .6624 .6698 -.13496 .0256 .038 .016 .022 -.014 .001 -.0082 |
|
O8 .4622 .3099 -.15261 .0267 .011 .031 .037 -.0109 -.009 .001 |
|
O9 .1137 .9077 .14060 .0277 .036 .038 .0094 .025 .0012 .013 |
|
O10 .3625 .8832 -.07250 .0208 .018 .035 .009 -.006 .0007 -.001 |
|
O11 .7112 .3219 .03483 .0152 .031 .012 .0026 -.0016 .0047 -.0018 |
|
O12 .5642 .1773 .09333 .0194 .0057 .035 .017 .0016 -.0011 .007 |
|
O13 -.0306 .1285 .08699 .0147 .0109 .022 .012 .0069 .0085 -.0066 |
|
O14 .0025 .8718 -.06568 .0111 .0015 .022 .0099 .0048 -.0015 .0050 |
|
O15 .4583 .3425 -.01683 .0171 .0000 .034 .018 .0023 .0032 -.0048 |
|
O16 -.1887 .1441 .14434 .0185 .020 .025 .010 -.0031 -.0039 .0019 |
|
O17 .1439 .5665 .24806 .0285 .032 .036 .018 .003 .009 -.005 |
|
O18 .1328 .9289 -.12219 .0204 .014 .035 .012 -.001 -.0024 .011 |
|
O19 -.5478 .2160 .28499 .0274 .036 .035 .013 .009 .0143 -.004 |
|
O20 .1413 .1223 -.01050 .0277 .039 .017 .028 -.005 .005 -.006 |
|
O21 .1163 .4017 .13761 .0340 .029 .035 .039 -.033 .011 -.016 |
|
O22 .8112 .2993 -.15579 .047 .033 .068 .040 .035 .009 .005 |
|
O23 .7483 .6789 .08908 .5 .0191 .017 .016 .024 -.0018 -.0000 -.0016 |
|
F23 .7483 .6789 .08908 .5 .0191 .017 .016 .024 -.0018 -.0000 -.0016 |
|
O24 -.2339 .0962 -.02273 .0185 .021 .022 .013 .0117 .0053 .0092 |
|
O25 -.2344 .5879 -.02360 .0149 .024 .0122 .0094 -.0082 .0075 .0024 |
|
O26 -.4078 .1962 .22924 .0360 .037 .030 .042 .008 .003 -.004 |
|
O27 .2867 .3709 .04073 .0201 .029 .017 .013 -.0073 -.0082 .0069 |
|
O28 -.1952 .2096 .27935 .0308 .044 .028 .019 .002 -.012 .005 |
|
O29 .1513 .6080 -.01325 .0309 .021 .022 .050 .018 .012 .012 |
|
O30 .1089 .9843 .22244 .0226 .022 .020 .027 -.0023 .017 .0035 |
|
O31 -.0822 .6267 .20039 .0217 .0051 .037 .023 -.0043 -.0013 .004 |
|
O32 .2749 .6371 .19382 .0252 .027 .027 .022 .002 .008 -.004 |
|
O33 -.0630 .8481 .03138 .0146 .024 .016 .0037 -.0070 .0018 .0023 |
|
O34 -.3879 .8252 .26630 .0197 .020 .011 .028 .0049 -.0034 .0101 |
|
F1 .1321 .1001 -.19090 .0288 .034 .015 .038 -.0014 .013 .002 |
|
F2 .1353 .6007 -.18266 .0140 .0129 .0116 .0173 .0002 -.0006 .0002 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Paraershovite |
| |
Khomyakov A P, Camara F, Sokolova E, Abdu Y, Hawthorne F C |
| |
The Canadian Mineralogist 48 (2010) 279-290 |
|
Paraershovite, Na3K3Fe3+2(Si4O10OH)2(OH)2(H2O)4, a new mineral species from the |
|
Khibina Alkaline massif, Kola Peninsula, Russia: Description and crystal structure |
|
Locality: the Khibina Alkaline massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0006330 |
|
10.1978 12.0155 5.2263 103.439 96.020 91.683 P-1 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K(1) .56870 .13502 .8203 .96 .0285 .0437 .0226 .0181 -.0025 .0014 .0041 |
|
K(2) .5 .5 .5 .0339 .0355 .0427 .0279 .0247 .0082 .0125 |
|
Na(1) .9757 .8611 .4609 .81 .0318 .024 .023 .045 -.0001 -.0027 .0043 |
|
Na(2) .9901 .7410 .8855 .41 .031 .027 .035 .034 .009 .016 .011 |
|
Fe2+M .00552 .42473 .70056 .87 .0118 .0085 .0140 .0119 .0019 .0001 .0012 |
|
Mn2+M .00552 .42473 .70056 .68 .0118 .0085 .0140 .0119 .0019 .0001 .0012 |
|
TiM .00552 .42473 .70056 .38 .0118 .0085 .0140 .0119 .0019 .0001 .0012 |
|
MgM .00552 .42473 .70056 .07 .0118 .0085 .0140 .0119 .0019 .0001 .0012 |
|
Si(1) .73752 .28343 .4291 .0122 .0103 .0144 .0118 .0014 .0021 .0024 |
|
Si(2) .71648 .67365 .1360 .0133 .0099 .0152 .0148 .0032 .0017 .0033 |
|
Si(3) .73373 .41941 .9938 .0116 .0088 .0137 .0117 .0014 .0017 .0016 |
|
Si(4) .67806 .81252 .7010 .0172 .0191 .0167 .0157 .0035 .0034 .0027 |
|
O(1) .6735 .3522 .6954 .0159 .009 .023 .015 .0022 .0024 .004 |
|
O(2) .8952 .2965 .4822 .0166 .011 .021 .016 .0020 .0014 .0016 |
|
O(3) .6525 .7284 .8982 .0241 .018 .034 .023 .005 .001 .013 |
|
O(4) .8735 .6832 .1747 .0176 .010 .021 .022 .0018 .0008 .006 |
|
O(5) .8919 .4392 .0176 .0134 .009 .021 .010 -.0005 .0011 .0021 |
|
O(6) .8233 .8724 .7639 .0334 .019 .037 .039 -.003 .003 -.001 |
|
O(7) .6602 .5397 .0558 .0193 .011 .017 .029 .0033 .0024 .003 |
|
O(8) .6503 .7323 .4004 .0228 .018 .029 .018 .004 .004 -.001 |
|
O(9) .6832 .3468 .1941 .0179 .012 .027 .014 .0015 .0006 .006 |
|
O(10) .6773 .1541 .3523 .0202 .017 .019 .023 -.001 .003 .002 |
|
O(11) .5653 .9052 .7303 .0238 .020 .019 .031 .003 .002 .002 |
|
O(12) .8933 .5458 .5733 .0171 .015 .019 .017 .0053 .0033 .002 |
|
O(13) .8581 .9925 .2831 .066 .057 .040 .083 .020 -.026 -.012 |
|
O(14A) .889 .156 .904 .5 .051 .040 .058 .059 .005 .012 .018 |
|
O(14B) .856 .113 .822 .5 .051 .040 .058 .059 .005 .012 .018 |
|
H(1) .481 .875 .692 .03566 |
|
H(2) .882 .603 .714 .02569 |
|
H(3) .847 .953 .111 .09960 |
|
H(4) .789 .038 .31 .09960 |
|
H(5) .969 .179 .01 .5 .07653 |
|
H(6) .86 .079 .91 .5 .07653 |
|
H(7) .786 .13 .664 .5 .07653 |
|
H(8) .799 .13 .98 .5 .07653 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Carbobystrite |
| |
Khomyakov A P, Camara F, Sokolova E |
| |
The Canadian Mineralogist 48 (2010) 291-300 |
|
Carbobystrite, Na8[Al6Si6O24](CO3)*4H2O, a new cancrinite-group mineral species |
|
from the Khibina Alkaline massif, Kola Peninsula, Russia: Description and crystal structure |
|
Locality: the Khibina Alkaline massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0006331 |
|
12.6678 12.6678 10.3401 90 90 120 P31c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na1 0 0 -.0505 .030 .021 .021 .047 .011 0 0 |
|
Na2 .0941 .5484 .0646 .021 .021 .021 .020 .010 .002 .001 |
|
Na3 .3822 .1920 .7808 .977 .024 .035 .022 .019 .018 .008 .004 |
|
Na4 2/3 1/3 .1343 .63 .033 .024 .024 .050 .012 0 0 |
|
K4 2/3 1/3 .1216 .36 .020 .021 .021 .019 .010 0 0 |
|
Si1 .2510 .2517 .0190 .007 .008 .007 .007 .004 .000 .000 |
|
Al1 .6745 .0872 .2702 .008 .008 .009 .008 .005 .000 .000 |
|
Si2 .0805 .4192 .7688 .008 .009 .007 .007 .004 .000 .000 |
|
Al2 .2550 -.0007 .0182 .008 .008 .007 .008 .004 .000 -.001 |
|
O1 .3773 .0305 .4153 .013 .011 .019 .008 .007 .002 .002 |
|
O2 .2684 .1388 -.0249 .013 .016 .010 .015 .008 .001 .000 |
|
O3 .7081 -.0014 .1674 .013 .017 .016 .010 .010 .001 -.001 |
|
O4 .6641 .0317 .4273 .014 .018 .020 .010 .014 -.001 .002 |
|
O5 .2096 .1084 .5037 .014 .017 .009 .018 .008 -.005 -.004 |
|
O6 .0597 .5304 .7264 .012 .017 .009 .012 .009 -.001 .000 |
|
O7 .2235 .4648 .7558 .016 .011 .017 .023 .008 .000 .000 |
|
O8 .0027 .3072 .1744 .012 .014 .016 .009 .009 .000 -.003 |
|
C 1/3 2/3 .1588 .018 .014 .014 .024 .007 0 0 |
|
O9 .4481 .7248 .1465 .055 .017 .025 .121 .009 -.014 -.006 |
|
Wat10 .7979 .4424 -.0759 .35 .057 .035 .039 .076 .003 -.028 -.003 |
|
Wat11 .5594 .2052 -.0716 .47 .065 .047 .044 .087 .010 .017 .017 |
|
Wat12 .0230 -.0207 -.2717 .34 .063 .091 .060 .038 .036 -.009 -.016 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Burpalite |
 |
Merlino S, Perchiazzi N, Khomyakov A P, Pushcharovsky D Y, Kulikova I M, Kuzmin V I |
| |
European Journal of Mineralogy 2 (1990) 177-185 |
|
Burpalite, a new mineral from Burpalinskii massif, North Transbajkal, USSR: |
|
its crystal structure and OD character |
|
Locality: Burpalinskii massif, North Transbajkal, USSR |
|
_database_code_amcsd 0006380 |
|
10.1173 10.4446 7.2555 90 90.039 90 P2_1/a |
|
atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na1 .3769 -.0743 -.1231 1.57 .0161 .0216 .0219 -.0073 -.0002 .0043 |
|
Na2 .3744 -.0708 .3759 1.39 .0171 .0204 .0152 .0003 .0001 -.0032 |
|
Ca .1052 -.1999 .1260 1.29 .0178 .0155 .0156 -.0052 .0006 .0001 |
|
Zr .1070 -.1997 .6247 1.21 .0148 .0170 .0141 .0014 -.0007 -.0002 |
|
Si1 .1671 .1204 -.3479 1.07 .0124 .0106 .0177 .0013 -.0008 .0001 |
|
Si2 .1702 .1215 .0995 1.04 .0093 .0113 .0189 -.0015 -.0002 .0005 |
|
O1 .1681 .1468 -.1206 3.23 .0639 .0498 .0091 .0131 .0038 .0004 |
|
O2 .2658 .2316 .5830 1.90 .0180 .0158 .0385 -.0056 .0086 -.0052 |
|
O3 .2660 .2391 .1652 2.24 .0204 .0242 .0405 -.0035 -.0010 -.0117 |
|
O4 .0189 .1499 .5909 2.25 .0175 .0212 .0469 .0022 .0025 .0009 |
|
O5 .0171 .1469 .1584 2.49 .0132 .0363 .0449 .0055 .0011 -.0032 |
|
O6 .2148 -.0261 .6158 1.43 .0188 .0174 .0183 .0037 .0050 -.0040 |
|
O7 .2243 -.0173 .1381 1.98 .0313 .0090 .0351 .0048 -.0071 .0017 |
|
F1 .4894 .1110 -.1272 2.08 .0304 .0180 .0306 .0038 -.0005 -.0021 |
|
F2 .4837 .1203 .3745 1.72 .0172 .0132 .0351 .0061 .0006 .0003 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Altisite |
| |
Ferraris G, Ivaldi G, Khomyakov A P |
| |
European Journal of Mineralogy 7 (1995) 537-546 |
|
Altisite Na3K6Ti2[Al2Si8O26]Cl3 a new hyperalkaline |
|
aluminosilicate from Kola Peninsula (Russia) related to |
|
lemoynite: crystal structure and thermal evolution |
|
Sample: RT, T = 20 C, before heating |
|
Locality: Kola Peninsula, Russia |
|
_database_code_amcsd 0006594 |
|
10.363 16.310 9.132 90 105.34 90 C2/m |
|
atom x y z occ Uiso |
|
K1 .20736 .14143 .10725 .95 .0176 |
|
Na1 .20736 .14143 .10725 .05 .0176 |
|
K2 .0992 .0081 .3636 .425 .036 |
|
Na2 .0992 .0081 .3636 .075 .036 |
|
Na1 0 .38349 1/2 .0143 |
|
Na2 0 1/2 0 .0329 |
|
Ti 1/4 1/4 1/2 .0046 |
|
Si1 .72539 .09782 .26426 .0059 |
|
Si2 .94853 .21292 .27675 .0063 |
|
Al 0 .31610 0 .0069 |
|
O1 .8755 .12217 .2527 .0115 |
|
O2 .6906 .14466 .4031 .0107 |
|
O3 .6219 .11684 .1022 .0122 |
|
O4 .7308 0 .2970 .0120 |
|
O5 .8684 .26948 .3691 .0087 |
|
O6 .9285 .25297 .1096 .0125 |
|
O7 .1045 .19446 .3543 .0117 |
|
Cl1 0 0 0 .0209 |
|
Cl2 .11781 1/2 .72409 .0206 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Altisite |
| |
Ferraris G, Ivaldi G, Khomyakov A P |
| |
European Journal of Mineralogy 7 (1995) 537-546 |
|
Altisite Na3K6Ti2[Al2Si8O26]Cl3 a new hyperalkaline |
|
aluminosilicate from Kola Peninsula (Russia) related to |
|
lemoynite: crystal structure and thermal evolution |
|
Sample: HT, T = 700 C |
|
Locality: Kola Peninsula, Russia |
|
_database_code_amcsd 0006595 |
|
10.423 16.333 9.160 90 105.62 90 C2/m |
|
atom x y z occ Uiso |
|
K1 .2052 .14147 .1066 .95 .0563 |
|
Na1 .2052 .14147 .1066 .05 .0563 |
|
K2 .1028 .0151 .3665 .425 .086 |
|
Na2 .1028 .0151 .3665 .075 .086 |
|
Na1 0 .3847 1/2 .0465 |
|
Na2 0 1/2 0 .081 |
|
Ti 1/4 1/4 1/2 .0148 |
|
Si1 .72627 .09803 .26440 .0164 |
|
Si2 .94619 .21412 .27537 .0173 |
|
Al 0 .31552 0 .0191 |
|
O1 .8749 .1234 .2520 .0292 |
|
O2 .6946 .1428 .4065 .0303 |
|
O3 .6209 .1183 .1052 .0343 |
|
O4 .7319 0 .2918 .032 |
|
O5 .8649 .2703 .3657 .0260 |
|
O6 .9276 .2530 .1086 .0355 |
|
O7 .1013 .1972 .3549 .0341 |
|
Cl1 0 0 0 .078 |
|
Cl2 .1212 1/2 .7282 .0694 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Altisite |
| |
Ferraris G, Ivaldi G, Khomyakov A P |
| |
European Journal of Mineralogy 7 (1995) 537-546 |
|
Altisite Na3K6Ti2[Al2Si8O26]Cl3 a new hyperalkaline |
|
aluminosilicate from Kola Peninsula (Russia) related to |
|
lemoynite: crystal structure and thermal evolution |
|
Sample: RT', T = 20 C, after heating |
|
Locality: Kola Peninsula, Russia |
|
_database_code_amcsd 0006596 |
|
10.337 16.257 9.099 90 105.49 90 C2/m |
|
atom x y z occ Uiso |
|
K1 .20868 .14134 .10698 .95 .0206 |
|
Na1 .20868 .14134 .10698 .05 .0206 |
|
K2 .1006 -.0090 .3605 .425 .034 |
|
Na2 .1006 -.0090 .3605 .075 .034 |
|
Na1 0 .38382 1/2 .0132 |
|
Na2 0 1/2 0 .0292 |
|
Ti 1/4 1/4 1/2 .0039 |
|
Si1 .72500 .09780 .26499 .0056 |
|
Si2 .94867 .21186 .27612 .0063 |
|
Al 0 .31469 0 .0071 |
|
O1 .8764 .12060 .2555 .0108 |
|
O2 .6896 .1447 .4040 .0110 |
|
O3 .6221 .1180 .1023 .0128 |
|
O4 .7276 0 .2974 .0118 |
|
O5 .8693 .26881 .3692 .0090 |
|
O6 .9258 .2515 .1077 .0138 |
|
O7 .1055 .1939 .3517 .0127 |
|
Cl1 0 0 0 .0305 |
|
Cl2 .12081 1/2 .7278 .0230 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Nafertisite |
| |
Ferraris G, Ivaldi G, Khomyakov A P, Soboleva S V, Belluso E, Pavese A |
| |
European Journal of Mineralogy 8 (1996) 241-249 |
|
Nafertisite, a layer titanosilicate member of a polysomatic series including mica |
|
_database_code_amcsd 0006619 |
|
5.353 16.176 21.95 90 94.6 90 A2/m |
|
atom x y z occ Uiso |
|
Na1 1/2 0 0 .05 |
|
Na2 0 -.154 0 .5 .02 |
|
Na2' 0 -.279 0 .5 .02 |
|
Fe1 .242 .3994 -.2649 .8 .010 |
|
Fe2 .257 .8001 -.2453 .8 .016 |
|
Fe3 .258 0 -.2319 .8 .012 |
|
Ti -.036 0 -.0980 .005 |
|
Si1 .444 -.122 -.117 .073 |
|
Si2 .434 .312 -.133 .042 |
|
Si3 -.064 .408 -.136 .030 |
|
O1 .387 .301 -.206 .02 |
|
OH2 .390 1/2 -.223 .03 |
|
O3 .411 -.104 -.186 .01 |
|
O4 -.109 .404 -.207 .05 |
|
OH5 .104 .295 -.305 .02 |
|
O6 .075 1/2 -.328 .02 |
|
O7 .215 .362 -.109 .02 |
|
O8 .725 -.089 -.081 .01 |
|
O9 .247 .082 -.079 .06 |
|
O10 .455 .222 -.100 .01 |
|
O11 .752 .360 -.105 .05 |
|
O12 -.073 1/2 -.105 .03 |
|
O13 0 0 0 .00 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Kalifersite |
| |
Ferraris G, Khomyakov A P, Belluso E, Soboleva S V |
| |
European Journal of Mineralogy 10 (1998) 865-874 |
|
Kalifersite, a new alkaline silicate from Kola Peninsula (Russia) |
|
based on a palygorskite-sepiolite polysomatic series |
|
Locality: Kola Peninsula, Russia |
|
_database_code_amcsd 0006753 |
|
14.86 20.54 5.29 95.6 92.3 94.4 P-1 |
|
atom x y z occ |
|
K1 .519 .108 .069 .72 |
|
Na1 .519 .108 .069 .28 |
|
K2 .01 .274 -.004 .72 |
|
Na2 .01 .274 -.004 .28 |
|
K3 0 1/2 1/2 .72 |
|
Na3 0 1/2 1/2 .28 |
|
Fe1 0 0 0 .55 |
|
Mn1 0 0 0 .08 |
|
Mg1 0 0 0 .07 |
|
Ca1 0 0 0 .02 |
|
Fe2 0 .077 .507 .55 |
|
Mn2 0 .077 .507 .08 |
|
Mg2 0 .077 .507 .07 |
|
Ca2 0 .077 .507 .02 |
|
Fe3 .508 .318 .175 .55 |
|
Mn3 .508 .318 .175 .08 |
|
Mg3 .508 .318 .175 .07 |
|
Ca3 .508 .318 .175 .02 |
|
Fe4 .506 .389 .702 .55 |
|
Mn4 .506 .389 .702 .08 |
|
Mg4 .506 .389 .702 .07 |
|
Ca4 .506 .389 .702 .02 |
|
Fe5 .501 .463 .234 .55 |
|
Mn5 .501 .463 .234 .08 |
|
Mg5 .501 .463 .234 .07 |
|
Ca5 .501 .463 .234 .02 |
|
Si1 .181 .068 .834 |
|
Si2 .176 .122 .334 |
|
Si3 .319 .306 .816 |
|
Si4 .315 .448 .876 |
|
Si5 .319 .235 .274 |
|
Si6 .311 .525 .415 |
|
Si7 .3 .67 .472 |
|
Si8 .293 .742 -.003 |
|
Si9 .191 .932 .796 |
|
Si10 .192 .866 .268 |
|
O1 .074 .078 .843 |
|
OH2 .08 .004 .34 |
|
OH2 .075 .147 .283 |
|
O4 .428 .312 .833 |
|
O5 .424 .456 .889 |
|
O6 .427 .234 .253 |
|
O7 .423 .383 .361 .5 |
|
OH7 .423 .383 .361 .5 |
|
O8 .42 .531 .424 |
|
O9 .413 .602 -.048 .5 |
|
OH9 .413 .602 -.048 .5 |
|
O10 .411 .677 .483 |
|
O11 .403 .748 .982 |
|
O12 .082 .932 .816 |
|
O13 .081 .858 .274 |
|
O14 .208 .001 .673 |
|
O15 .207 .121 .635 |
|
O16 .195 .059 .136 |
|
O17 .26 .165 .225 |
|
O18 .274 .273 .05 |
|
O19 .285 .266 .546 |
|
O20 .27 .373 .839 |
|
O21 .279 .474 .615 |
|
O22 .287 .483 .144 |
|
O23 .265 .593 .48 |
|
O24 .259 .716 .704 |
|
O25 .267 .686 .189 |
|
O26 .245 .805 .132 |
|
O27 .216 .926 .095 |
|
O28 .219 .877 .574 |
|
Wat29 .351 .013 .999 |
|
Wat30 .613 .107 .579 |
|
Wat31 .13 .414 .179 |
|
Wat32 .891 .381 .755 |
|
Wat33 .06 .293 .5 |
|
Wat34 .147 .523 .902 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Phlogopite-2O |
| |
Ferraris G, Gula A, Ivaldi G, Nespolo M, Sokolova E, Uvarova Y, Khomyakov A P |
| |
European Journal of Mineralogy 13 (2001) 1013-1023 |
|
First structure determination of an MDO-2O mica polytype associated with a 1M polytype |
|
_database_code_amcsd 0006910 |
|
5.2781 9.141 20.124 90 90 90 Ccmm |
|
atom x y z occ Uiso |
|
K .6662 0 1/4 .97 .0326 |
|
Na .6662 0 1/4 .03 .0326 |
|
MgM1 0 0 0 .68 .0105 |
|
FeM1 0 0 0 .11 .0105 |
|
LiM1 0 0 0 .21 .0105 |
|
MgM2 0 .66627 0 .66 .0106 |
|
FeM2 0 .66627 0 .11 .0106 |
|
LiM2 0 .66627 0 .23 .0106 |
|
SiT .16620 .16668 .13564 .85 .0086 |
|
AlT .16620 .16668 .13564 .15 .0086 |
|
O1 .1550 0 .16637 .0181 |
|
O2 .4215 .2448 .16636 .0182 |
|
O3 .1660 .1667 .05551 .0115 |
|
Oh .6681 0 .05185 .6 .0131 |
|
F .6681 0 .05185 .4 .0131 |
|
H .655 0 .088 .6 .0300 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluorophlogopite-1M |
| |
Ferraris G, Gula A, Ivaldi G, Nespolo M, Sokolova E, Uvarova Y, Khomyakov A P |
| |
European Journal of Mineralogy 13 (2001) 1013-1023 |
|
First structure determination of an MDO-2O mica polytype associated with a 1M polytype |
|
_database_code_amcsd 0006911 |
|
5.305 9.199 10.232 90 100.03 90 C2/m |
|
atom x y z occ Uiso |
|
K 0 1/2 0 .97 .0366 |
|
Na 0 1/2 0 .03 .0366 |
|
MgM1 0 0 1/2 .72 .0106 |
|
FeM1 0 0 1/2 .12 .0106 |
|
LiM1 0 0 1/2 .16 .0106 |
|
MgM2 0 .3337 1/2 .71 .0123 |
|
FeM2 0 .3337 1/2 .11 .0123 |
|
LiM2 0 .3337 1/2 .18 .0123 |
|
SiT .0762 .16676 .22871 .85 .0085 |
|
AlT .0762 .16676 .22871 .15 .0085 |
|
O1 .0419 0 .1676 .0198 |
|
O2 .3127 .2432 .1675 .0196 |
|
O3 .1298 .1670 .3895 .0109 |
|
Oh .1330 1/2 .3968 .4 .0137 |
|
F .1330 1/2 .3968 .6 .0137 |
|
H .112 1/2 .301 .4 .0300 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ershovite |
 |
Rastsvetaeva R K, Rekhlova O Y, Khomyakov A P |
|   |
Crystallography Reports 36 (1991) 500-503 |
|
Crystal structure of a new natural Na,K,Fe silicate |
|
Locality: Khibiny massif, Kola peninsula, Russia |
|
_database_code_amcsd 0012339 |
|
10.244 11.924 5.276 103.491 96.960 91.945 P-1 |
|
atom x y z occ Biso |
|
K1 .5505 .1366 .8268 1.91 |
|
K2 .5 .5 .5 3.04 |
|
Na1 .9705 .8648 .4696 1.86 |
|
Na2 .9955 .7343 .8831 2.30 |
|
Fe2+M .0035 .4252 .7039 .45 1.48 |
|
MnM .0035 .4252 .7039 .35 1.48 |
|
TiM .0035 .4252 .7039 .20 1.48 |
|
Si1 .7348 .2783 .4224 1.16 |
|
Si2 .7163 .6726 .1325 1.16 |
|
Si3 .7343 .4144 .9886 1.12 |
|
Si4 .6835 .8086 .6982 1.22 |
|
O1 .6745 .3528 .6855 1.5 |
|
O2 .8913 .2868 .4723 1.5 |
|
O3 .6489 .7230 .8897 1.7 |
|
O4 .8715 .6898 .1759 1.6 |
|
O5 .8910 .4320 .0192 1.5 |
|
O6 .8293 .8636 .7716 1.8 |
|
O7 .6637 .5360 .0563 1.6 |
|
O8 .6498 .7308 .3928 1.6 |
|
O9 .6812 .3386 .1795 1.4 |
|
O10 .6707 .1491 .3595 1.7 |
|
O11 .5740 .9053 .7290 1.7 |
|
O12 .8924 .5486 .5781 2.1 |
|
O13 .8624 .9923 .2607 2.7 |
|
O14 .8518 .1133 .8154 2.8 |
|
H1 .86 .94 .14 1.2 |
|
H2 .50 .87 .68 2.9 |
|
H3 .81 .04 .26 2.6 |
|
H4 .85 .03 .80 3.4 |
|
H5 .81 .12 .66 2.2 |
|
H6 .83 .55 .52 4.3 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Olympite |
 |
Rastsvetaeva R K, Khomyakov A P |
|   |
Crystallography Reports 39 (1994) 35-41 |
|
A comparative crystal-chemical study of the lithium-sodium phosphates |
|
(lithiophosphate, nalipoite, olympite, and Na3PO4) |
|
Locality: Khibini alkaline massif, Kola Peninsula, Russia |
|
Note: O5(y) made negative to match reported bond distances |
|
_database_code_amcsd 0012344 |
|
10.124 14.794 10.132 90 90 90 P2_12_12_1 |
|
atom x y z Biso |
|
Li1 .4971 .3889 .2333 .9 |
|
Li2 .0036 .3897 .7464 1.1 |
|
Na1 .2563 .1444 .0072 1.0 |
|
Na2 .4851 .3633 .7412 1.1 |
|
Na3 .2279 .3864 .4959 1.3 |
|
Na4 .2771 .3868 -.0010 1.3 |
|
Na5 .2207 .2474 .7488 1.2 |
|
Na6 .2415 .1442 .5069 1.3 |
|
Na7 .0651 .0003 .0167 1.4 |
|
Na8 .2777 .2489 .2480 2.0 |
|
Na9 .5141 .4982 .4631 2.2 |
|
Na10 .0148 .3638 .2399 1.6 |
|
P1 .5054 .2511 .0013 .68 |
|
P2 -.0059 .2501 .5023 .58 |
|
P3 .2746 .4996 .7476 .61 |
|
P4 .2480 -.0007 .2707 .57 |
|
O1 .1317 .2795 .0703 .7 |
|
O2 .4718 .1558 .4346 1.0 |
|
O3 .4575 .1838 .1073 1.0 |
|
O4 .3932 .2606 .9002 .6 |
|
O5 .4001 -.0011 .2536 .9 |
|
O6 .3751 .4994 .8621 1.1 |
|
O7 .1040 .2612 .3975 1.6 |
|
O8 .1937 .0885 .2108 1.0 |
|
O9 .1917 .4134 .7535 1.1 |
|
O10 .2154 -.0011 .4201 1.0 |
|
O11 .3125 .4150 .2608 1.5 |
|
O12 .3139 .0819 .7039 1.5 |
|
O13 .1486 .5019 .1164 1.3 |
|
O14 .0378 .1608 .9272 1.8 |
|
O15 .0356 .1782 .6038 1.8 |
|
O16 .3696 .2804 .5683 1.6 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Intersilite |
| |
Yamnova N A, Egorov-Tismenko Y K, Khomyakov A P |
|   |
Crystallography Reports 41 (1996) 239-244 |
|
Crystal structure of a new natural (Na,Mn,Ti)-phyllosilicate |
|
Locality: Aluaiv, Lovozero alkaline massif, Kola peninsula, Russia |
|
_database_code_amcsd 0012349 |
|
13.033 18.717 12.264 90 99.62 90 I2/m |
|
atom x y z occ Biso |
|
Mn .5 .5859 0 .94 1.02 |
|
Fe .5 .5859 0 .04 1.02 |
|
Ca .5 .5859 0 .02 1.02 |
|
Ti 0 .0842 0 .75 2.21 |
|
Nb 0 .0842 0 .25 2.21 |
|
Si1 .2299 .0818 .1436 .72 |
|
Si2 .6973 .4179 .2005 .52 |
|
Si3 .7188 .6853 .0202 .62 |
|
Si4 .1745 .3084 .1869 1.73 |
|
Si5 .7929 .1602 .0741 .66 |
|
Na1 0 .2581 0 2.8 |
|
Na2 .0309 .1695 .2567 1.6 |
|
Na3 .9745 0 .7478 1.4 |
|
Na4 .5 .2283 0 4.0 |
|
Na5 .6929 0 .5554 .25 6.3 |
|
K5 .6929 0 .5554 .25 6.3 |
|
Na6 .6253 0 .0634 .55 4.3 |
|
K6 .6253 0 .0634 .20 4.3 |
|
OH1 .9292 0 .0631 1.9 |
|
O2 .2744 0 .1452 1.4 |
|
Wat3 .913 0 .542 3.3 |
|
O4 .1086 .0866 .1441 1.3 |
|
O5 .5733 .4106 .1640 .9 |
|
O6 .3975 .3306 .0367 1.8 |
|
O7 .9163 .1641 .0723 1.4 |
|
O8 .2663 .1199 .0379 1.4 |
|
Wat9 .554 .2049 .188 7.4 |
|
O10 .7626 .1135 .1761 1.2 |
|
O11 .1953 .3165 .0612 1.6 |
|
O12 .2403 0 .7035 .8 |
|
O13 0 .400 0 10.0 |
|
O14 .2974 .1150 .2530 2.2 |
|
O15 .7593 .3746 .1159 1.0 |
|
O16 .7319 .2354 .0794 1.6 |
|
O17 .75 .25 .75 8.5 |
|
OH18 .0565 .2943 .1823 6.7 |
|
Wat19 .5 .1028 0 9.9 |
|
Wat20 .582 0 .688 5.9 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Deloneite |
| |
Rastsvetaeva R K, Khomyakov A P |
|   |
Crystallography Reports 41 (1996) 789-792 |
|
Structural features of a new naturally occurring representative |
|
of the fluorapatite-deloneite series |
|
Locality: Khibini alkaline massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0012350 |
|
9.485 9.485 7.000 90 90 120 P6_3 |
|
atom x y z occ Biso |
|
CaA1 1/3 2/3 -.0042 .2 .85 |
|
SrA1 1/3 2/3 -.0042 .5 .85 |
|
NaA1 1/3 2/3 -.0042 .3 .85 |
|
CaA2 1/3 2/3 .4987 .90 |
|
CaA3 .0128 .2519 .2496 .7 .69 |
|
SrA3 .0128 .2519 .2496 .2 .69 |
|
CeA3 .0128 .2519 .2496 .1 .69 |
|
P .6305 .0290 .2448 .44 |
|
O1 .324 .254 .420 1.7 |
|
O2 .156 .671 .244 1.3 |
|
O3 .536 .121 .263 1.2 |
|
O4 .355 .263 .068 1.0 |
|
F 0 0 .276 2/3 2.8 |
|
OH 0 0 .276 1/3 2.8 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Labuntsovite-Mn |
| |
Rastsvetaeva R K, Chukanov N V, Pekov I V, Shlyukova Z V, Khomyakov A P |
|   |
Crystallography Reports 43 (1998) 820-827 |
|
Structures of two potassium-rich labuntsovites in relation to the crystal chemistry |
|
of minerals of the labuntsovite-nenadkevichite family |
|
Sample: I |
|
_database_code_amcsd 0012358 |
|
14.42 13.91 7.8 90 116.9 90 C2/m |
|
atom x y z occ Biso |
|
NaAI .4084 .2640 .0051 .5 4.6 |
|
KAII .4175 0 .7010 .9 5.6 |
|
TiMI1 .25 .25 .5 .8 2.07 |
|
NbMI1 .25 .25 .5 .2 2.07 |
|
TiMI2 0 .2257 .5 .8 1.91 |
|
NbMI2 0 .2257 .5 .2 1.91 |
|
MnMII 0 0 .5 .2 2.1 |
|
Si1 .3213 .1106 .2503 1.19 |
|
Si2 .2074 .1096 .8011 1.16 |
|
O1 .0834 .1220 .6799 1.7 |
|
O2 .2735 .1805 .7365 1.5 |
|
O3 .2648 .1279 .3837 1.6 |
|
O4 .3643 0 .2775 1.7 |
|
O5 .2404 0 .7757 1.7 |
|
O6 .4214 .1782 .3052 1.8 |
|
O7 .2371 .1262 .0262 1.9 |
|
OH .0999 .2252 .3958 1.7 |
|
KAIII .0862 0 .3396 .8 3.3 |
|
WatAIII .0862 0 .3396 .2 3.3 |
|
Ow1 .5 .1445 0 9.5 |
|
Ow2 0 .1239 0 9.6 |
|
H1 .481 .118 .89 1 |
|
H2 .049 .133 .10 5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Labuntsovite-Fe |
| |
Rastsvetaeva R K, Chukanov N V, Pekov I V, Shlyukova Z V, Khomyakov A P |
|   |
Crystallography Reports 43 (1998) 820-827 |
|
Structures of two potassium-rich labuntsovites in relation to the crystal chemistry |
|
of minerals of the labuntsovite-nenadkevichite family |
|
Sample: II |
|
_database_code_amcsd 0012359 |
|
14.33 13.83 7.79 90 117.1 90 C2/m |
|
atom x y z occ Biso |
|
NaAI .4068 .2665 .007 .5 3.9 |
|
NaAII .4190 0 .7022 .125 5.3 |
|
KAII .4190 0 .7022 .75 5.3 |
|
TiMI1 .25 .25 .5 .9 2.46 |
|
NbMI1 .25 .25 .5 .1 2.46 |
|
TiMI2 0 .2247 .5 .9 2.45 |
|
NbMI2 0 .2247 .5 .1 2.45 |
|
FeMII 0 0 .5 .0625 2.6 |
|
MnMII 0 0 .5 .0625 2.6 |
|
MgMII 0 0 .5 .025 2.6 |
|
Si1 .3225 .1107 .2520 1.65 |
|
Si2 .2080 .1094 .8017 1.60 |
|
O1 .0829 .1201 .6801 2.2 |
|
O2 .2743 .1824 .7376 1.9 |
|
O3 .2657 .1259 .3876 2.0 |
|
O4 .3667 0 .2769 2.1 |
|
O5 .2431 0 .7764 2.2 |
|
O6 .4209 .1803 .3026 2.2 |
|
O7 .2363 .1262 .0271 2.2 |
|
OH .1013 .2229 .3965 2.0 |
|
KAIII .0839 0 .3363 .65 2.24 |
|
BaAIII .0839 0 .3363 .2 2.24 |
|
WatAIII .0839 0 .3363 .15 2.24 |
|
Ow1 .5 .1425 0 10.3 |
|
Ow2 0 .1175 0 10.7 |
|
H1 .479 .119 .89 3 |
|
H2 .051 .131 .09 4 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Kentbrooksite |
| |
Rastsvetaeva R K, Khomyakov A P, Nekrasov Y V |
|   |
Crystallography Reports 44 (1999) 765-769 |
|
Crystal structure of a novel analog of eudialyte with R3 symmetry |
|
Locality: Alluaiv mountain, Lovozero massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0012363 |
|
14.182 14.182 30.37 90 90 120 R3 |
|
atom x y z occ Biso |
|
Na1a .190 .615 .1527 .5 7.8 |
|
Na1b .182 .569 .1550 .5 5.8 |
|
Ca1 .2448 .2447 .0001 .7 1.77 |
|
Ce1 .2448 .2447 .0001 .15 1.77 |
|
La1 .2448 .2447 .0001 .09 1.77 |
|
Nd1 .2448 .2447 .0001 .06 1.77 |
|
Mn -.0006 .2718 .0001 1.82 |
|
MnM2 .1833 .3551 .3314 .2 1.82 |
|
FeM2 .1833 .3551 .3314 .05 1.82 |
|
Zr2 .0379 .5259 .0029 .133 2.4 |
|
Hf2 .0379 .5259 .0029 .017 2.4 |
|
Nb 1/3 2/3 .2904 .4 2.21 |
|
Na2a .1175 .2234 .1534 .397 3.5 |
|
Ce2a .1175 .2234 .1534 .043 3.5 |
|
La2a .1175 .2234 .1534 .024 3.5 |
|
Nd2a .1175 .2234 .1534 .016 3.5 |
|
Na2b .077 .162 .1700 .52 7.2 |
|
Sr .2396 .1126 .2776 .1 3.9 |
|
Na3 .1966 .0950 .2890 .9 2.9 |
|
Na4 .446 .550 .0036 .6 6.2 |
|
Na5a .4388 .2142 .0534 .5 2.9 |
|
Na5b .4760 .2355 .0423 .45 2.6 |
|
Sr5b .4760 .2355 .0423 .05 2.6 |
|
Na6 .5612 .1117 .1804 .967 3.7 |
|
K6 .5612 .1117 .1804 .033 3.7 |
|
Zr1 .3335 .1589 .1666 .967 1.85 |
|
Ti1 .3335 .1589 .1666 .033 1.85 |
|
SiT1a 1/3 2/3 .0444 .51 .8 |
|
SiT1b 1/3 2/3 .0902 .49 2.2 |
|
SiT2 1/3 2/3 .2492 .6 5.4 |
|
Si1 -.0107 .6076 .0975 1.56 |
|
Si1' -.0065 .3953 .0966 1.52 |
|
Si2 .1397 .0588 .0809 1.74 |
|
Si3 .0612 .3272 .2372 1.46 |
|
Si3' .2753 .3225 .2366 1.42 |
|
Si4 .2083 .4156 .0767 1.82 |
|
Si5 .5257 .2518 .2532 1.70 |
|
Si6 .4574 .5405 .2574 1.78 |
|
O1 .1763 .3597 .0302 2.3 |
|
O2 .1828 .3533 .2210 2.3 |
|
O3 .6261 .5909 .0455 3.2 |
|
O3' .6403 .0401 .0461 2.2 |
|
O4 .2555 .0231 .2055 2.6 |
|
O4' .2594 .2256 .2060 3.3 |
|
O5 .4752 .2280 .2042 4.3 |
|
O6 .2245 .0964 .0423 3.2 |
|
O7 .1935 .0863 .1293 2.8 |
|
O8 .1072 .3909 .1079 3.5 |
|
O8' .2721 .3706 .1085 2.1 |
|
O9 .4412 .2044 .2924 2.8 |
|
O10 .6147 .2126 .2562 3.0 |
|
O11 .0709 .1237 .0771 3.2 |
|
O12 .0554 .4370 .2273 3.1 |
|
O12' .3910 .4284 .2269 2.1 |
|
O13 .0292 .5111 .3049 2.3 |
|
O14 .4075 .2981 .1289 3.2 |
|
O14' .4120 .1029 .1285 2.5 |
|
O15 .0441 .2991 .2883 2.3 |
|
O15' .2642 .2924 .2885 1.9 |
|
O16 .0200 .5170 .1119 2.3 |
|
O17 .2833 .5474 .0708 5.9 |
|
O18a .205 .607 .2471 .45 4.0 |
|
O18b .377 .593 .2622 .55 3.4 |
|
OH1 0 0 .330 .51 4.3 |
|
OH2 1/3 2/3 .1440 .55 2.8 |
|
OH3 1/3 2/3 .196 .53 7.7 |
|
OH4 .605 .400 -.0058 .44 4.4 |
|
OH5 .411 .606 .002 .15 6. |
|
F 2/3 1/3 .0424 .5 2.7 |
|
Cl 2/3 1/3 .0424 .3 2.7 |
|
Wat3a 2/3 1/3 .110 .58 6.1 |
|
Wat3b 2/3 1/3 .150 .42 7.9 |
|
Wat1a 0 0 .248 .43 8.2 |
|
Wat1b 0 0 .289 .32 3.9 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Na18Mn3Ca3Zr3Si26O76*H2O |
| |
Rastsvetaeva R K, Khomyakov A P, Nekrasov Y V |
|   |
Crystallography Reports 44 (1999) 824-828 |
|
Crystal structure of a novel analog of eudialyte with R3 symmetry |
|
Locality: Alluaiv mountain, Lovozero alakaline massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0012364 |
|
14.182 14.182 30.37 90 90 120 R3 |
|
atom x y z occ Biso |
|
Na1a .190 .6150 .1527 .5 7.8 |
|
Na1b .182 .5690 .1550 .5 5.8 |
|
CaM1' .2448 .2447 .0001 .7 1.77 |
|
CeM1' .2448 .2447 .0001 .14 1.77 |
|
LaM1' .2448 .2447 .0001 .08 1.77 |
|
NdM1' .2448 .2447 .0001 .05 1.77 |
|
YM1' .2448 .2447 .0001 .03 1.77 |
|
Mn1 -.0006 .2718 .0001 1.82 |
|
Zr1 .3335 .1589 .1666 .967 1.85 |
|
Ti1 .3335 .1589 .1666 .033 1.85 |
|
Si1 -.0107 .6076 .0975 1.56 |
|
Si1' -.0065 .3953 .0966 1.52 |
|
Si2 .1397 .0588 .0809 1.74 |
|
Si3 .0612 .3272 .2372 1.46 |
|
Si3' .2753 .3225 .2366 1.42 |
|
Si4 .2083 .4156 .0767 1.82 |
|
Si5 .5257 .2518 .2532 1.70 |
|
Si6 .4574 .5405 .2574 1.78 |
|
O1 .1763 .3597 .0302 2.3 |
|
O2 .1828 .3533 .2210 2.3 |
|
O3 .6261 .5909 .0455 3.2 |
|
O3' .6403 .0401 .0461 2.2 |
|
O4 .2555 .0231 .2055 2.6 |
|
O4' .2594 .2256 .2060 3.3 |
|
O5 .4752 .2280 .2042 4.3 |
|
O6 .2245 .0964 .0423 3.2 |
|
O7 .1935 .0863 .1293 2.8 |
|
O8 .1072 .3909 .1079 3.5 |
|
O8' .2721 .3706 .1085 2.1 |
|
O9 .4412 .2044 .2924 2.8 |
|
O10 .6147 .2126 .2562 3.0 |
|
O11 .0709 .1237 .0771 3.2 |
|
O12 .0554 .4370 .2273 3.1 |
|
O12' .3910 .4284 .2269 2.1 |
|
O13 .0292 .5111 .3049 2.3 |
|
O14 .4075 .2981 .1289 3.2 |
|
O14' .4120 .1029 .1285 2.5 |
|
O15 .0441 .2991 .2883 2.3 |
|
O15' .2642 .2924 .2885 1.9 |
|
O16 .0200 .5170 .1119 2.3 |
|
O17 .2833 .5474 .0708 5.9 |
|
O18a .205 .607 .2471 .45 4.0 |
|
O18b .377 .593 .2622 .55 3.4 |
|
SiT1a 1/3 2/3 .0444 .51 .8 |
|
SiT1a 1/3 2/3 .0902 .49 2.2 |
|
SiT2 1/3 2/3 .2492 .6 5.4 |
|
Nb 1/3 2/3 .2904 .4 2.21 |
|
MnM2 .1833 .3551 .3314 .2 1.82 |
|
FeM2 .1833 .3551 .3314 .05 1.82 |
|
Zr2 .0379 .5259 .0029 .133 2.4 |
|
Hf2 .0379 .5259 .0029 .017 2.4 |
|
Na2a .1175 .2234 .1534 .397 3.5 |
|
Ce2a .1175 .2234 .1534 .04 3.5 |
|
La2a .1175 .2234 .1534 .024 3.5 |
|
Nd2a .1175 .2234 .1534 .016 3.5 |
|
Y2a .1175 .2234 .1534 .003 3.5 |
|
Na2b .077 .1620 .1700 .52 7.2 |
|
Sr .2396 .1126 .2776 .1 3.9 |
|
Na3 .1966 .0950 .2890 .9 2.9 |
|
Na4 .4460 .5500 .0036 .6 6.2 |
|
Na5a .4388 .2142 .0534 .5 2.9 |
|
Na5b .4760 .2355 .0423 .45 2.6 |
|
Sr5b .4760 .2355 .0423 .05 2.6 |
|
Na6 .5612 .1117 .1804 .967 3.7 |
|
K6 .5612 .1117 .1804 .033 3.7 |
|
OH1 0 0 .3300 .51 4.3 |
|
OH2 1/3 2/3 .1440 .55 2.8 |
|
OH3 1/3 2/3 .1960 .53 7.7 |
|
OH4 .6050 .4000 -.0058 .44 4.4 |
|
OH5 .4110 .6060 .0020 .15 6. |
|
Wat1a 0 0 .2480 .43 8.2 |
|
Wat1b 0 0 .2890 .32 3.9 |
|
F1 2/3 1/3 .0424 .28 2.7 |
|
Cl 2/3 1/3 .0424 .17 2.7 |
|
Wat3a 2/3 1/3 .1100 .58 6.1 |
|
Wat3b 2/3 1/3 .1500 .42 7.9 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Labyrinthite |
| |
Rastsvetaeva R K, Khomyakov A P |
|   |
Crystallography Reports 46 (2001) 752-757 |
|
Modular structure of a sodium-rich analogue of eudialyte with |
|
the doubled c-parameter and the R3 symmetry |
|
Locality: Eveslogchorr mountain |
|
_database_code_amcsd 0012372 |
|
14.239 14.239 60.733 90 90 120 R3 |
|
atom x y z occ Biso |
|
Zr1 .1659 .3321 .0829 1.35 |
|
Zr2 -.0012 .4992 .2481 1.29 |
|
Ca1 .0727 .6678 .1658 1.08 |
|
Ca1' .5945 .6679 .1658 .99 |
|
Ca2 -.0004 .2620 -.0009 .89 |
|
Ca2' .2615 .2620 -.0008 .96 |
|
Si1 .3248 .0551 .1182 1.29 |
|
Si1' .3263 .2685 .1178 1.15 |
|
Si2 .2496 .1253 .2948 1.13 |
|
Si3 .0641 .3419 .2841 1 |
|
Si3' .2766 .3401 .2839 1.96 |
|
Si4 .5979 .4037 .2910 .96 |
|
Si5 .0710 .1428 .0408 .98 |
|
Si6 .4044 .5962 .2068 .93 |
|
Si7 .5418 .4589 .1281 1.82 |
|
Si8 .2625 .5261 .1252 1.10 |
|
Si9 .0054 .6088 .0486 1.15 |
|
Si9' .0070 .3970 .0484 1.25 |
|
Si10 .1243 .2485 .2038 1.61 |
|
Si11 .4173 .2091 .0369 1.18 |
|
Si12 .3398 .0636 .2141 1.24 |
|
Si12' .3384 .2736 .2145 1.07 |
|
Si13 0 0 .1938 2.1 |
|
Si14 0 0 .2888 1.4 |
|
Si15 2/3 1/3 .0441 1.6 |
|
Si16 2/3 1/3 .1346 .20 6.8 |
|
O1 .3551 .1766 .1089 2.1 |
|
O2 .3083 .1521 .3182 1.8 |
|
O3 .5157 .0326 .1518 1.2 |
|
O4 .3856 .2808 .0534 .8 |
|
O4' .3875 .1063 .0534 3.2 |
|
O5 .0729 .3691 .3089 1.7 |
|
O5' .2917 .3688 .3092 .8 |
|
O6 .0300 .2585 .1038 2.2 |
|
O6' .2257 .2542 .1039 2.5 |
|
O7 .3111 .1549 .2231 2.2 |
|
O8 .1008 .4032 .0632 2 |
|
O8' .3028 .4070 .0636 2 |
|
O9 .0566 .1175 .2051 4 |
|
O10 .5687 .1407 .2664 2.1 |
|
O11 .2344 .4731 .1013 2.6 |
|
O12 .2986 .2515 .1438 .6 |
|
O12' .3007 .0467 .1437 1.8 |
|
O13 .5523 .4493 .3103 1.2 |
|
O14 .2715 .5439 .2054 1.9 |
|
O15 .0353 .6268 .0224 1.4 |
|
O15' .0351 .4037 .0229 2.2 |
|
O16 .3666 .2871 .1883 1.2 |
|
O16' .3634 .0765 .1884 2.4 |
|
O17 .1232 .0606 .0395 1.2 |
|
O18 .5423 .2692 .2935 1.9 |
|
O19 .0572 .2937 .2189 2.2 |
|
O19' .2332 .2871 .2188 .8 |
|
O20 .5067 .0190 .0564 1.6 |
|
O21 .3965 .6061 .1273 1.5 |
|
O22 .0924 .1875 .0654 1.6 |
|
O23 .0684 .6341 .2683 1.6 |
|
O23' .5677 .6324 .2682 1.3 |
|
O24 .1558 .3178 .2739 1.7 |
|
O25 .4381 .3640 .2288 2.9 |
|
O25' .4358 .0712 .2287 2.3 |
|
O26 .5468 .2715 .0333 3.9 |
|
O27 .1135 .2300 .0218 2 |
|
O28 .2201 .4411 .1445 1.5 |
|
O29 .1031 .5511 .1874 2.3 |
|
O30 .2792 .2278 .2788 .8 |
|
O30' .2766 .0498 .2788 3.8 |
|
O31 .6037 .2118 .1253 3.6 |
|
O32 .4354 .3849 .1127 2.6 |
|
O32' .6122 .5684 .1126 5.2 |
|
O33 .1199 .0576 .2996 4 |
|
O34 .1504 .3031 .1804 2.3 |
|
O35 .4303 .5732 .2313 2.2 |
|
O36 .3601 .1765 .0144 1.5 |
|
OH1 0 0 .2631 2.1 |
|
OH2 2/3 1/3 .0711 2.7 |
|
OH4 .556 .281 .1639 .50 4.7 |
|
OH5 2/3 1/3 .159 .20 7.8 |
|
OH7 0 0 .1681 5.2 |
|
Wat1 1/3 2/3 .2628 7.2 |
|
Wat3 1/3 2/3 .076 .66 9 |
|
Wat4 2/3 1/3 .2090 .32 4 |
|
Wat5 0 0 .1198 .86 3.1 |
|
Ti 2/3 1/3 .1421 .52 3.3 |
|
Fe .3253 .1613 .1663 .73 2.31 |
|
Mn .3839 .1918 .1644 .27 2 |
|
Na1 .0971 .5479 .3033 2.5 |
|
Na2 .2205 .1110 .0760 2.4 |
|
Na3 .2143 .4300 .0281 2.6 |
|
Na4a .4391 .5604 .0889 .35 2.8 |
|
Na4b .1687 .5859 .0817 .65 6.1 |
|
Na5 .5659 .4352 .1903 2.5 |
|
Na6 .2202 .4413 .2425 2.9 |
|
Na7 .4911 .2451 .2497 3.9 |
|
Na8a .096 .166 .2486 .29 7.8 |
|
Na8b .156 .127 .2470 .49 7.1 |
|
Na8b' .154 .035 .2449 .22 6.9 |
|
Na9a .5032 .2563 .0861 .80 5.2 |
|
Na9b .521 .331 .0831 .20 4.9 |
|
Na10a .0926 .1835 .1439 .63 2.4 |
|
Na10b .1054 .2143 .1405 .37 3.3 |
|
Na11 -.007 .494 .0025 .41 2.7 |
|
Na12 .5604 .4390 .0018 .57 2.1 |
|
Na13 .1147 .5585 -.0031 .53 2 |
|
Cl1 1/3 2/3 .3118 3.7 |
|
Cl3a 1/3 2/3 .0200 .90 3.5 |
|
Cl3b 1/3 2/3 .046 .10 3 |
|
Cl 2/3 1/3 .2164 .68 2.2 |
|
F 2/3 1/3 .2164 .68 2.2 |
|
K1 .5659 .4352 .1903 .211 2.5 |
|
K2 .0926 .1835 .1439 .273 2.4 |
|
Ce1 .5604 .4390 .0018 .017 2.1 |
|
Ce2 .1147 .5585 -.0031 .017 2 |
|
Sr1 .2615 .2620 -.0008 .05 .96 |
|
Sr2 .4391 .5604 .0889 .089 2.8 |
|
Sr3 .1054 .2143 .1405 .067 3.3 |
|
Sr4 .5604 .4390 .0018 .017 2.1 |
|
Sr5 .1147 .5585 -.0031 .022 2 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Bussenite |
| |
Zhou H, Rastsvetaeva R K, Khomyakov A P, Ma Z, Shi N |
|   |
Crystallography Reports 47 (2002) 43-46 |
|
Crystal structure of new micalike titanosilicate - bussenite, |
|
Na2Ba2Fe2+[TiSi2O7][CO3]O(OH)(H2O)F |
|
Locality: Khibiny alkaline massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0012376 |
|
5.399 7.016 16.254 102.44 93.18 90.10 P-1 |
|
atom x y z occ Biso |
|
Na1 .733 .243 .9527 .5 3.1 |
|
Na2 .251 .289 .0461 .5 2.4 |
|
K1 .2234 .4246 .8493 .2 1.80 |
|
Ba1 .2234 .4246 .8493 .8 1.80 |
|
Ba2 .2933 .1222 .2449 .47 1.56 |
|
NaM1 .0073 .2513 .5030 .5 .65 |
|
MnM1 .0073 .2513 .5030 .275 .65 |
|
FeM1 .0073 .2513 .5030 .225 .65 |
|
FeM2 .5 0 .5 .5 .75 |
|
NaM2 .5 0 .5 .4 .75 |
|
MnM2 .5 0 .5 .1 .75 |
|
NaM3 .5 .5 .5 .5 .53 |
|
FeM3 .5 .5 .5 .4 .53 |
|
MnM3 .5 .5 .5 .1 .53 |
|
SrM4 .2789 .0938 .1870 .32 2.50 |
|
CaM4 .2789 .0938 .1870 .21 2.50 |
|
Ti .6951 .3449 .6897 .95 .87 |
|
Nb .6951 .3449 .6897 .05 .87 |
|
Si1 .1911 .0583 .6684 .76 |
|
Si2 .8083 .3887 .3315 .81 |
|
C .758 .052 .106 4.6 |
|
O1 .957 .165 .7119 1.0 |
|
O2 .045 .451 .2870 1.4 |
|
O3 .555 .450 .2863 1.4 |
|
O4 .449 .162 .7134 1.7 |
|
O5 .800 .150 .3044 2.0 |
|
O6 .180 .032 .5690 2.2 |
|
O7 .822 .460 .4302 2.5 |
|
O8 .677 .292 .5809 1.7 |
|
O9 .154 .097 .902 9.6 |
|
O10 .889 .213 .106 7.9 |
|
O11 .555 .138 .095 9.4 |
|
OH .338 .215 .4314 1.8 |
|
Wat .719 .417 .8360 2.7 |
|
F1 .5 .5 0 3.7 |
|
F2 0 .5 0 5.7 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Keldyshite |
 |
Khalikov A D, Khomyakov A P, Makhmudov S A |
|   |
Doklady Akademii Nauk SSSR 238 (1978) 573-575 |
|
Crystal structure of keldyshite NaZr[Si2O6OH] |
|
_database_code_amcsd 0012457 |
|
9.00 5.34 6.96 92 116 88 P-1 |
|
atom x y z Biso |
|
Na .564 .239 .389 2.58 |
|
Zr .276 .774 .057 1.40 |
|
Si1 .705 .717 .246 1.00 |
|
Si2 .833 .745 .709 1.09 |
|
O1 .750 .029 .688 1.93 |
|
O2 .519 .814 .227 .73 |
|
O3 .305 .572 .846 2.32 |
|
O4 .004 .684 .915 1.18 |
|
O5 .228 .089 .910 1.02 |
|
O6 .295 .469 .211 1.04 |
|
O7 .850 .700 .482 2.38 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Barentsite |
 |
Tjy C T L, Pobedimskaya E A, Fundamenskii V S, Nadezhina T N, Khomyakov A P |
|   |
Doklady Akademii Nauk SSSR 273 (1983) 699-704 |
|
The crystal structure of barentsite |
|
Note: y(O1) corrected |
|
_database_code_amcsd 0012474 |
|
6.472 6.735 8.806 92.50 97.33 119.32 P-1 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na1 0 0 0 .0136 .0120 .0160 .0088 .0067 .0056 |
|
Na2 .5 .5 0 .0104 .0131 .0122 .0079 .0026 .0027 |
|
Na3 .5 0 0 .0098 .0113 .0166 .0053 .0014 .0050 |
|
Na4 .72594 .38587 .35730 .0156 .0121 .0088 .0083 .0025 .0016 |
|
Na5 .77860 .12001 .64502 .0153 .0118 .0088 .0077 .0015 .0007 |
|
Al 0 .5 0 .0065 .0067 .0049 .0040 0014 .0011 |
|
H .2084 .2219 .5139 .1 |
|
C1 .28907 .11140 .70073 .0075 .0075 .0083 .0038 .0017 .0017 |
|
C2 .20352 .38800 .28539 .0072 .0069 .0064 .0033 .0007 .0013 |
|
O1 .35206 -.00777 .62662 .0149 .0115 .0109 .0090 .0028 .0008 |
|
O2 .20770 .23336 .61985 .0198 .0150 .0111 .0138 .0045 .0051 |
|
O3 .29366 .13085 .84371 .0137 .0051 .0072 .0077 .0031 .0022 |
|
O4 .28515 .25854 .33757 .0168 .0141 .0116 .0121 .0025 .0046 |
|
O5 .17493 .39169 .13584 .0112 .0124 .0057 .0072 .0018 .0018 |
|
O6 .15343 .50495 .37421 .0164 .0125 .0074 .0101 .0023 .0003 |
|
F1 .75409 .39462 .10792 .0099 .0149 .0079 .0079 .0038 .0036 |
|
F2 .85005 .21556 .89472 .0116 .0096 .0085 .0058 .0004 -.0002 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Arctite |
 |
Sokolova E V, Yamnova N A, Egorov-Tismenko Y K, Khomyakov A P |
|   |
Doklady Akademii Nauk SSSR 274 (1984) 78-83 |
|
The crystal structure of a new phosphate of Na,Ca and Ba: (Na5Ca)Ca6Ba(PO4)6F3 |
|
_database_code_amcsd 0012475 |
|
14.366 14.366 14.366 28.58 28.58 28.58 R-3m |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na1 .3130 .3130 .7828 5/6 .00521 .00521 .00697 -.00271 -.00243 -.00243 |
|
Ca1 .3130 .3130 .7828 1/6 .00521 .00521 .00697 -.00271 -.00243 -.00243 |
|
Ca .44308 .44308 .9283 .00535 .00535 .00467 -.00210 -.00223 -.00223 |
|
Ba 0 0 0 .00474 .00474 .00474 -.00216 -.00216 -.00216 |
|
P1 .67541 .67541 .67541 .00494 .00494 .00494 -.00230 -.00230 -.00230 |
|
P2 .20725 .20725 .20725 .00386 .00386 .00386 -.00169 -.00169 -.00169 |
|
P3 .08372 .08372 .08372 .00386 .00386 .00386 -.00176 -.00176 -.00176 |
|
O1 .1207 .1207 .1207 .01151 .01151 .01151 -.00541 -.00541 -.00541 |
|
O2 .1900 .1900 .8345 .00684 .00684 .00210 -.00379 -.00121 -.00121 |
|
O3 .1938 .1938 .5445 .00731 .00731 .00514 -.00474 -.00223 -.00223 |
|
O4 .2450 .2450 .2450 .01558 .01558 .01558 -.00745 -.00745 -.00745 |
|
O5 .3621 .3621 .3621 .00948 .00948 .00948 -.00453 -.00453 -.00453 |
|
O6 .3146 .3146 .9599 .00968 .00968 .00304 -.00406 -.00203 -.00203 |
|
F1 .5 .5 .5 .00474 .00474 .00474 -.00216 -.00216 -.00216 |
|
F2 .42926 .42926 .42926 .00860 .00867 .00860 -.00406 -.00406 -.00406 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Nefedovite |
 |
Sebals M, Dorokhova G I, Pobedimskaya E A, Khomyakov A P |
|   |
Doklady Akademii Nauk SSSR 278 (1984) 353-357 |
|
The crystal structure of nefedovite and its typomorphism |
|
_database_code_amcsd 0012476 |
|
11.644 11.644 5.396 90 90 90 I-4 |
|
atom x y z Biso |
|
Na1 .0943 .3886 -.008 1.23 |
|
Na2 0 0 .5 1.1 |
|
Ca .1786 .1114 .0181 .38 |
|
P .1045 .2499 .4898 .42 |
|
O1 .0385 .2168 .256 .8 |
|
O2 .1036 .3805 .523 1.08 |
|
O3 .2277 .2079 .454 .71 |
|
O4 .0498 .1943 .721 .86 |
|
F 0 0 0 .9 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Alluaivite |
 |
Rastsvetaeva R K, Khomyakov A P, Andrianov V I, Gusev A I |
|   |
Doklady Akademii Nauk SSSR 312 (1990) 1379-1383 |
|
Crystal structure of alluaivite |
|
Note: eudialyte-type structure |
|
_database_code_amcsd 0012482 |
|
14.046 14.046 60.600 90 90 120 R-3m |
|
atom x y z occ Biso |
|
Na1 .4864 .2432 .4820 3.0 |
|
Na2 .5574 .4426 .4090 3.5 |
|
Na3 .2360 .1180 .3622 2.9 |
|
Na4 .2246 .4492 .3351 .78 3.6 |
|
Na5 .4140 .5860 .4221 .97 6.9 |
|
Na6 .1043 .5522 .0894 .90 3.1 |
|
Na7 1/3 1/6 1/6 3.0 |
|
Na8 .5 .5 0 .22 5.3 |
|
Ca1 .7376 0 0 .75 .63 |
|
Ca2 .7396 .7396 .5 .75 .68 |
|
Mn1 .7376 0 0 .25 .63 |
|
Mn2 .7396 .7396 .5 .25 .68 |
|
Nb1 .3419 .1710 .4163 .23 1.31 |
|
K2 0 0 .5 .33 4.8 |
|
Ce3 .4140 .5860 .4221 .03 6.9 |
|
Sr4 .1043 .5522 .0894 .10 3.1 |
|
Ti3 .3419 .1710 .4163 .77 1.31 |
|
Si1 .2063 .4127 .4608 .97 |
|
Si2 .5249 .2625 .3735 1.32 |
|
Si3 .0848 .5424 .3712 1.04 |
|
Si4 .4047 .5953 .2095 .94 |
|
Si5 .3496 .2847 .2157 .94 |
|
Si6 .0625 .3426 .2842 1.22 |
|
Si7 1/3 2/3 .3781 1.20 |
|
Si8 1/3 2/3 .4715 1.80 |
|
O1 .1717 .3434 .3914 1.7 |
|
O2 .0258 .5130 .3481 1.7 |
|
O3 .5527 .4473 .3124 2.5 |
|
O4 .1825 .3651 .4848 1.3 |
|
O5 .4433 .5567 .2307 2.5 |
|
O6 .4738 .2369 .3982 2.2 |
|
O7 .0623 .1247 .4543 1.9 |
|
O8 .4895 .0210 .4442 1.4 |
|
O9 .6038 .3962 .3720 2.0 |
|
O10 .4313 .5687 .1862 2.5 |
|
O11 .3919 .6081 .3672 7.7 |
|
O12 .2691 .0390 .3980 1.9 |
|
O13 .2781 .3745 .4458 1.9 |
|
O14 .0729 .7026 .3097 1.7 |
|
O15 .6897 .6147 .1907 1.6 |
|
O16 .0542 .4395 .3877 2.8 |
|
O17 .4424 .3594 .2333 1.8 |
|
O18 .2734 .5467 .4591 2.6 |
|
O19 1/3 2/3 .4041 1.5 |
|
O20 1/3 2/3 .4964 3.6 |
|
Wat21 0 0 .5 .67 4.8 |
|
Wat22 2/3 1/3 .4483 10 |
|
Wat23 1/3 2/3 .0500 .20 3.3 |
|
Cl 0 0 .3543 .80 2.3 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Crawfordite |
 |
Sokolova E V, Khomyakov A P |
|   |
Doklady Akademii Nauk SSSR 322 (1992) 531-535 |
|
Crystal structure of a new mineral Na3SePO4CO3 from bredleyite group |
|
_database_code_amcsd 0012486 |
|
9.187 5.279 6.707 90 90 89.98 P2_1 |
|
atom x y z Biso |
|
Sr .6764 -.0003 .25 1.10 |
|
P .3305 -.0001 .254 .58 |
|
Na1 .1584 .498 .236 3.4 |
|
Na2 .006 -.006 .006 3.3 |
|
Na3 .4658 .501 .456 1.3 |
|
C .154 .508 .773 3.1 |
|
O1 .705 .493 .270 1.8 |
|
O2 .915 .290 .246 3.9 |
|
O3 .235 .143 .105 1.9 |
|
O4 .427 .805 .156 2.2 |
|
O5 .917 .711 .255 4.2 |
|
O6 .426 .197 .153 1.5 |
|
O7 .762 .137 .911 1.2 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Deloneite |
| |
Rastsvetaeva R F, Khomyakov A P |
|   |
Doklady Akademii Nauk SSSR 349 (1996) 354-357 |
|
Crystal structure of deloneite-(Ce), high ordered Ca analogue of belovite |
|
_database_code_amcsd 0012491 |
|
9.51 9.51 7.01 90 90 120 P-3 |
|
atom x y z occ Biso |
|
Na1 1/3 2/3 -.0206 .5 2.0 |
|
Ca1 1/3 2/3 -.0206 .2 2.0 |
|
Sr1 .0158 .2555 .2413 .767 1.96 |
|
Ce1 2/3 1/3 -.0124 .15 2.38 |
|
La1 1/3 2/3 -.0206 .3 2.0 |
|
Na2 1/3 2/3 .5002 .5 2.2 |
|
Nd1 1/3 2/3 .5002 .25 2.2 |
|
Ca2 1/3 2/3 .5002 .25 2.2 |
|
Ca3 2/3 1/3 -.0124 .7 2.38 |
|
La2 2/3 1/3 -.0124 .15 2.38 |
|
Ca4 2/3 1/3 .4905 .7 2.30 |
|
La3 2/3 1/3 .4905 .15 2.30 |
|
Ce2 2/3 1/3 .4905 .15 2.30 |
|
Ca5 .0158 .2555 .2413 .233 1.96 |
|
Na3 .2455 .2336 .7422 .333 1.80 |
|
Ce3 .2455 .2336 .7422 .333 1.80 |
|
Ca6 .2455 .2336 .7422 .333 1.80 |
|
P1 .6339 .0294 .2376 1.12 |
|
P2 .0276 .4034 .7381 .933 1.43 |
|
Si1 .0276 .4034 .7381 .067 1.43 |
|
O1 .125 .591 .744 1.1 |
|
O2 .499 .161 .731 2.5 |
|
O3 .326 .263 .073 4.7 |
|
O4 .328 .262 .406 3.7 |
|
O5 .096 .352 .911 1.3 |
|
O6 .095 .352 .562 1.3 |
|
O7 .152 .681 .233 1.2 |
|
O8 .573 .458 .239 3.1 |
|
F1 0 0 .246 .9 |
|
F2 0 0 .820 .41 3.2 |
|
OH9 0 0 .558 .32 4.0 |
|
OH10 0 0 .625 .31 3.6 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Pyatenkoite-(Y) |
| |
Rastsvetaeva R K, Khomyakov A P |
|   |
Doklady Chemistry 351 (1996) 283-286 |
|
Crystal structure of pyatenkoite-(Y) Na5YTiSi6O18*6H2O, a new mineral of the |
|
hilairite group: crystal structure |
|
Locality: Lovozero massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0012500 |
|
10.696 10.696 15.728 90 90 120 R32 |
|
atom x y z occ Biso |
|
Na1 0 0 .1933 2.2 |
|
Na2 .365 0 .5 3.1 |
|
YM2 1/3 2/3 1/6 .5 1.01 |
|
DyM2 1/3 2/3 1/6 .3 1.01 |
|
GdM2 1/3 2/3 1/6 .2 1.01 |
|
TiM1 0 0 0 .8 .78 |
|
NbM1 0 0 0 .2 .78 |
|
Si .4228 .4073 .2476 .69 |
|
O1 .092 .168 .0749 1.2 |
|
O2 .103 .211 .5720 1.3 |
|
O3 .657 0 0 1.0 |
|
O4 .641 0 .5 1.8 |
|
Ow5 .503 .144 .0589 1.8 |
|
H1 .53 .43 .04 2.0 |
|
H2 .48 .68 0 2.0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Lemmleinite-K |
| |
Rastsvetaeva R K, Arakcheeva A V, Khomyakov A P |
|   |
Doklady Chemistry 351 (1996) 294-297 |
|
Crystal structure and microtwinning of a new monoclinic analog of |
|
nenadkevichite |
|
Locality: Khibiny alkaline massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0012501 |
|
14.39 13.900 7.825 90 117.6 90 C2/m |
|
atom x y z occ Biso |
|
Na .4083 .2647 .000 .43 3.3 |
|
K1 .0842 0 .3365 .95 2.6 |
|
K2 .4159 0 .7012 .80 3.3 |
|
TiM1 0 .2244 .5 .7 1.47 |
|
NbM1 0 .2244 .5 .3 1.47 |
|
TiM2 .25 .25 .5 .7 1.51 |
|
NbM2 .25 .25 .5 .3 1.51 |
|
Si1 .2086 .1096 .8015 .81 |
|
Si2 .3232 .1101 .2525 .85 |
|
O1 .2391 .1244 .027 1.4 |
|
O2 .2728 .1798 .734 1.1 |
|
O3 .1008 .2244 .396 .7 .9 |
|
OH3 .1008 .2244 .396 .3 .9 |
|
O4 .2358 0 .768 1.5 |
|
O5 .4229 .1767 .304 1.7 |
|
O6 .2667 .1284 .386 1.2 |
|
O7 .3683 0 .282 1.3 |
|
O8 .0830 .1237 .681 1.5 |
|
Wat1 .5 .142 0 .90 8.8 |
|
Wat2 0 .126 0 .88 10.9 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Georgbarsanovite |
| |
Ekimenkova I A, Rastsvetaeva R K, Khomyakov A P |
|   |
Doklady Chemistry 370 (2000) 17-20 |
|
Crystal structure of the Fe,Cl-analogue of kentbrooksite |
|
Locality: Petrelius peak, Khibiny massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0012503 |
|
14.262 14.262 29.949 90 90 120 R3m |
|
atom x y z occ Biso |
|
Na1 .2090 .1045 .2855 3.5 |
|
Na2a .1057 .2114 .1562 .53 1.7 |
|
Na2b .126 .252 .146 .10 2.8 |
|
Na2c .077 .154 .1738 .37 2.3 |
|
Na3a .5696 .1392 .1730 .57 1.8 |
|
Na3b .5548 .1096 .1815 .43 1.9 |
|
Na4a .497 .782 .170 .11 7 |
|
Na4b .4768 .7384 .1863 .78 4.1 |
|
Ca .4054 .3315 .3323 .77 |
|
Zr .3270 .1635 .1667 .75 |
|
Fe .0108 .5054 -.0002 .23 1.9 |
|
NbM1 1/3 2/3 .2958 .8 1.5 |
|
SiM1 1/3 2/3 .2958 .2 1.5 |
|
Fe2+M2 .1819 .3638 .3289 .62 1.6 |
|
MnM2 .1819 .3638 .3289 .04 1.6 |
|
ZrM2 .1819 .3638 .3289 .09 1.6 |
|
TiM2 .1819 .3638 .3289 .02 1.6 |
|
KM3 .4666 .2333 .0467 .083 1.7 |
|
SrM3 .4666 .2333 .0467 .239 1.7 |
|
BaM3 .4666 .2333 .0467 .011 1.7 |
|
YM3 .4666 .2333 .0467 .044 1.7 |
|
MnM3 .4666 .2333 .0467 .356 1.7 |
|
CaM3 .4666 .2333 .0467 .111 1.7 |
|
CeM3 .4666 .2333 .0467 .156 1.7 |
|
Si1 .6095 .6042 .0973 .58 |
|
Si2 .1402 .0701 .0807 .76 |
|
Si3 .2688 .3260 .2373 .54 |
|
Si4 .2102 .4204 .0743 .66 |
|
Si5 .5266 .2633 .2505 .57 |
|
Si6 .4595 .5405 .2565 .77 |
|
Si7 1/3 2/3 .0873 1.4 |
|
O1 .2084 .6042 .2513 2.1 |
|
O2 .3988 .2975 .1266 1.9 |
|
O3 .6272 .0380 .0455 1.0 |
|
O4 .0468 .3012 .2899 .9 |
|
O5 .1067 .3885 .1067 2.0 |
|
O6 .5721 .6099 .2269 1.3 |
|
O7 .2539 .2251 .2078 1.4 |
|
O8 .4414 .2207 .2908 1.6 |
|
O9 .1807 .3614 .2203 1.0 |
|
O10 .1796 .0898 .1324 1.5 |
|
O11 .1778 .3556 .0290 1.1 |
|
O12 .6055 .3948 .2531 1.0 |
|
O13 .2328 .1164 .0448 1.5 |
|
O14 .4827 .5172 .3064 1.1 |
|
O15 .0118 .5059 .1160 1.0 |
|
O16 .0616 .1232 .0734 1.1 |
|
O17 .2743 .5486 .0662 3.2 |
|
O18 .4710 .2355 .2025 1.4 |
|
OH1 1/3 2/3 .1426 2.1 |
|
OH2 .6030 .2060 -.0014 3.0 |
|
OH3 .413 .586 .002 .23 9 |
|
Clla .618 .383 .0967 .10 3.0 |
|
Cllb 2/3 1/3 .0991 .80 2.4 |
|
Cl2 0 0 .2449 .20 1.2 |
|
Wat 0 0 .2551 .80 1.7 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Canasite |
 |
Rastsvetaeva R K, Rozenberg K A, Khomyakov A P, Rozhdestvenskaya I V |
|   |
Doklady Chemistry 391 (2003) 177-180 |
|
Crystal structure of F-canasite |
|
Locality: Khibiny alkaline massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0012509 |
|
18.846 7.242 12.650 90 111.84 90 Cm |
|
atom x y z occ Uiso |
|
K1 .1570 0 .4988 .028 |
|
K2 .3422 .5 .4997 .030 |
|
K3a -.0016 .5 .505 .76 .045 |
|
K3b .511 0 .558 .24 .07 |
|
Ca1 .2456 .5 -.0032 .85 .0130 |
|
Mn1 .2456 .5 -.0032 .15 .0130 |
|
Ca2 .1608 .2475 .1552 .875 .0066 |
|
Mn2 .1608 .2475 .1552 .125 .0066 |
|
Ca3 .0002 .5 -.0005 .0161 |
|
NaM .3321 .2490 .8418 .5 .0127 |
|
CaM .3321 .2490 .8418 .5 .0127 |
|
Na1 0 0 0 .0051 |
|
Na2 .2498 0 .0047 .010 |
|
Si1 .0173 .2382 .2474 .0223 |
|
Si2 .1433 .2286 .7520 .0175 |
|
Si3 .1361 .5 .3679 .003 |
|
Si4 .2016 .5 .6309 .0017 |
|
Si5 .3543 .2871 .2490 .0082 |
|
Si6 .2931 0 .3671 .017 |
|
Si7 .3599 0 .6318 .015 |
|
Si8 .4798 .2869 .7513 .010 |
|
O1 .0299 .253 .1332 .010 |
|
O2 .0807 .322 .3546 .009 |
|
O3 .2009 0 .2826 .025 |
|
O4 .1979 .5 .4977 .015 |
|
O5 .1517 .3142 .6409 .005 |
|
O6 .0606 .2881 .7529 .015 |
|
O7 .2835 .257 .1302 .004 |
|
O8 .2160 .246 .8606 .029 |
|
O9 .4307 .228 .2384 .028 |
|
O10 .3435 .175 .3563 .028 |
|
O11 .3281 0 .4969 .023 |
|
O12 .3069 0 .7136 .019 |
|
O13 .4151 .1787 .6400 .021 |
|
O14 .4634 .247 .8550 .018 |
|
O15 .1774 .5 .2806 .014 |
|
O16 .2858 .5 .711 .023 |
|
O17 .0273 0 .2865 .006 |
|
O18 .1316 0 .7089 .005 |
|
O19 .3655 .5 .2892 .026 |
|
O20 .4697 .5 .7067 .023 |
|
F1 .1324 0 .0286 .014 |
|
F2 .3674 0 .9669 .025 |
|
F .3590 .5 .958 .75 .028 |
|
OH .3590 .5 .958 .25 .028 |
|
OH1 .1273 .5 .0242 .024 |
|
Wat -.003 0 .502 .026 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Sazykinaite-(Y) |
| |
Rastsvetaeva R K, Khomyakov A P |
|   |
Kristallografiya 37 (1992) 1561-1563 |
|
Crystal structure of a rare earth analog of hilairite |
|
_database_code_amcsd 0014193 |
|
10.825 10.825 15.809 90 90 120 R32 |
|
atom x y z occ Biso |
|
Na1 0 0 .1955 2.2 |
|
Na2 .359 0 .5 .8 4.1 |
|
K .359 0 .5 .2 4.1 |
|
ZrM1 0 0 0 .7 .68 |
|
TiM1 0 0 0 .2 .68 |
|
NbM1 0 0 0 .1 .68 |
|
YM2 0 0 .5 .8 .66 |
|
DyM2 0 0 .5 .1 .66 |
|
GdM2 0 0 .5 .1 .66 |
|
Si .4216 .4094 .2472 .52 |
|
O1 .096 .176 .0795 1.0 |
|
O2 .104 .207 .5732 1.2 |
|
O3 .659 0 0 .9 |
|
O4 .641 0 .5 1.3 |
|
Ow5 .501 .140 .0593 1.7 |
|
H1 .53 .43 .04 |
|
H2 .48 .68 .00 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Sveinbergeite |
| |
Khomyakov A P, Cámara F, Sokolova E, Abdu Y, Hawthorne F C |
| |
Mineralogical Magazine 75 (2011) 2687-2702 |
|
Sveinbergeite, Ca(Fe2+6Fe3+)Ti2(Si4O12)2O2(OH)5(H2O)4, a new astrophyllite-group mineral |
|
from the Larvik Plutonic Complex, Oslo Region, Norway: description and crystal structure |
|
Locality: Larvik Plutonic Complex, Oslo Region, Norway |
|
_database_code_amcsd 0018570 |
|
5.329 11.803 11.822 101.140 98.224 102.442 P-1 |
|
atom x y z occ Uiso |
|
Fe2+M1 .8452 .7086 .9777 .80 .0079 |
|
Fe3+M1 .8452 .7086 .9777 .13 .0079 |
|
MnM1 .8452 .7086 .9777 .05 .0079 |
|
MgM1 .8452 .7086 .9777 .02 .0079 |
|
Fe2+M2 .2825 .5692 .9894 .80 .0097 |
|
Fe3+M2 .2825 .5692 .9894 .13 .0097 |
|
MnM2 .2825 .5692 .9894 .05 .0097 |
|
MgM2 .2825 .5692 .9894 .02 .0097 |
|
Fe2+M3 .5788 .1474 .0179 .80 .0047 |
|
Fe3+M3 .5788 .1474 .0179 .13 .0047 |
|
MnM3 .5788 .1474 .0179 .05 .0047 |
|
MgM3 .5788 .1474 .0179 .02 .0047 |
|
Fe2+M4 0 0 0 .80 .0059 |
|
Fe3+M4 0 0 0 .13 .0059 |
|
MnM4 0 0 0 .05 .0059 |
|
MgM4 0 0 0 .02 .0059 |
|
TiD .4002 .6517 .7186 .93 .0102 |
|
NbD .4002 .6517 .7186 .03 .0102 |
|
ZrD .4002 .6517 .7186 .02 .0102 |
|
Fe3+D .4002 .6517 .7186 .02 .0102 |
|
SiT1 .1514 .1039 .7805 .99 .017 |
|
AlT1 .1514 .1039 .7805 .01 .017 |
|
SiT2 .7096 .2282 .7805 .99 .017 |
|
AlT2 .7096 .2282 .7805 .01 .017 |
|
SiT3 .8419 .4900 .7578 .99 .009 |
|
AlT3 .8419 .4900 .7578 .01 .009 |
|
SiT4 .989 .8295 .7533 .99 .019 |
|
AlT4 .989 .8295 .7533 .01 .019 |
|
WatA .444 .854 .521 .93 .088 |
|
KA .444 .854 .521 .07 .088 |
|
CaB1 .188 .391 .485 .48 .050 |
|
NaB1 .188 .391 .485 .06 .050 |
|
WatB2 .201 .339 .537 .47 .050 |
|
O1 .054 .9602 .7182 .019 |
|
O2 .729 .3456 .7250 .027 |
|
O3 .678 .777 .703 .034 |
|
O4 .100 .521 .704 .068 |
|
O5 .905 .538 .900 .018 |
|
O6 .627 .550 .694 .045 |
|
O7 .092 .847 .2746 .022 |
|
O8 .771 .264 .9250 .015 |
|
O9 .211 .133 .9199 .013 |
|
O10 .948 .1604 .1103 .005 |
|
O11 .154 .751 .689 .032 |
|
O12 .592 .849 .2742 .022 |
|
O13 .465 .691 .879 .027 |
|
OH14 .337 .399 .9150 .009 |
|
OH15 .376 .012 .0901 .011 |
|
WatX .315 .611 .540 .47 .034 |
|
OHX .315 .611 .540 .45 .034 |
|
FX .315 .611 .540 .08 .034 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Bonshtedtite |
 |
Tjy C T L, Nadezhina T N, Pobedimskaya E A, Khomyakov A P |
|   |
Mineralogiceskij Zhurnal 6 (1984) 79-84 |
|
Crystal chemical characteristics of bradleyite, sidorenkite and bonshtedtite |
|
Note: atomic parameters from ICSD |
|
_database_code_amcsd 0018485 |
|
8.955 5.149 6.629 90 90 90.45 P2_1/m |
|
atom x y z Biso |
|
Na1 .2633 .2497 .0032 1.26 |
|
Na2 .9177 .2346 .75 1.66 |
|
Fe .6447 .2217 .25 .80 |
|
P .5859 .2967 .75 .55 |
|
C .9392 .2696 .25 .75 |
|
O1 .8741 .0478 .25 1.08 |
|
O2 .8572 .4753 .25 1.19 |
|
O3 .0808 .2850 .25 1.41 |
|
O4 .6805 .2209 .563 1.07 |
|
O5 .4343 .1630 .75 .89 |
|
O6 .4390 .4065 .25 .95 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Donnayite-(Y) |
 |
Tjy C T L, Pobedimskaya E A, Nadezhina T N, Khomyakov A P |
|   |
Moscow University Geology Bulletin 47 (1992) 60-70 |
|
Polymorphism of donnayite (Na,TR)Sr(CO3)2*H2O |
|
Locality: Khibiny alkaline massif |
|
_database_code_amcsd 0018481 |
|
8.983 8.985 6.780 116.25 102.76 60.00 P1 |
|
atom x y z occ Biso |
|
NaA1 0 0 0 .31 .81 |
|
NaA2 .3232 .3346 -.0066 .31 .86 |
|
NaA3 .663 .663 -.006 .31 1.0 |
|
YA1 0 0 0 .26 .81 |
|
YA2 .3232 .3346 -.0066 .26 .86 |
|
YA3 .663 .663 -.006 .26 1.0 |
|
CeA1 0 0 0 .20 .81 |
|
CeA2 .3232 .3346 -.0066 .20 .86 |
|
CeA3 .663 .663 -.006 .20 1.0 |
|
LaA1 0 0 0 .10 .81 |
|
LaA2 .3232 .3346 -.0066 .10 .86 |
|
LaA3 .663 .663 -.006 .10 1.0 |
|
NdA1 0 0 0 .05 .81 |
|
NdA2 .3232 .3346 -.0066 .05 .86 |
|
NdA3 .663 .663 -.006 .05 1.0 |
|
DyA1 0 0 0 .03 .81 |
|
DyA2 .3232 .3346 -.0066 .03 .86 |
|
DyA3 .663 .663 -.006 .03 1.0 |
|
GdA1 0 0 0 .02 .81 |
|
GdA2 .3232 .3346 -.0066 .02 .86 |
|
GdA3 .663 .663 -.006 .02 1.0 |
|
PrA1 0 0 0 .01 .81 |
|
PrA2 .3232 .3346 -.0066 .01 .86 |
|
PrA3 .663 .663 -.006 .01 1.0 |
|
ErA1 0 0 0 .01 .81 |
|
ErA2 .3232 .3346 -.0066 .01 .86 |
|
ErA3 .663 .663 -.006 .01 1.0 |
|
YbA1 0 0 0 .01 .81 |
|
YbA2 .3232 .3346 -.0066 .01 .86 |
|
YbA3 .663 .663 -.006 .01 1.0 |
|
Sr1 .6608 .4627 .3771 .73 1.0 |
|
Sr2 -.0086 .7911 .3710 .73 1.0 |
|
Sr3 .3277 .1250 .3769 .73 1.0 |
|
Ca1 .6608 .4627 .3771 .15 1.0 |
|
Ca2 -.0086 .7911 .3710 .15 1.0 |
|
Ca3 .3277 .1250 .3769 .15 1.0 |
|
Na1 .6608 .4627 .3771 .09 1.0 |
|
Na2 -.0086 .7911 .3710 .09 1.0 |
|
Na3 .3277 .1250 .3769 .09 1.0 |
|
Ba1 .6608 .4627 .3771 .03 1.0 |
|
Ba2 -.0086 .7911 .3710 .03 1.0 |
|
Ba3 .3277 .1250 .3769 .03 1.0 |
|
C1 -.003 .417 .246 .2 |
|
C2 .666 .072 .253 1.1 |
|
C3 .326 .779 .269 1.7 |
|
C4 .556 .378 .782 2.8 |
|
C5 .437 .931 .795 2.6 |
|
C6 -.001 .487 .785 2.2 |
|
O1 -.001 .281 .288 2.0 |
|
O2 .150 .424 .284 1.4 |
|
O3 .846 .556 .234 1.2 |
|
O4 .677 .932 .231 1.5 |
|
O5 .806 .080 .236 .3 |
|
O6 .525 .228 .262 .8 |
|
O7 .324 .614 .251 .2 |
|
O8 .468 .758 .254 1.5 |
|
O9 .196 .906 .262 2.7 |
|
O10 .514 .239 .713 3.3 |
|
O11 .508 .525 .721 2.7 |
|
O12 .667 .374 .963 1.8 |
|
O13 .334 .057 .712 4.1 |
|
O14 .612 .777 .711 2.8 |
|
O15 .387 .933 .960 2.2 |
|
O16 .874 .414 .710 2.4 |
|
O17 .142 .429 .709 3.0 |
|
O18 .936 .660 .957 2.1 |
|
Wat19 .152 .701 .701 2.9 |
|
Wat20 .037 .066 .712 3.2 |
|
Wat21 .786 .952 .710 2.9 |
|
|
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|
|   |
|
Donnayite-(Y) |
 |
Tjy C T L, Pobedimskaya E A, Nadezhina T N, Khomyakov A P |
|   |
Moscow University Geology Bulletin 47 (1992) 60-70 |
|
Polymorphism of donnayite (Na,TR)Sr(CO3)2*H2O |
|
Locality: Khibiny alkaline massif |
|
_database_code_amcsd 0018482 |
|
5.211 5.211 18.357 90 90 120 R3m |
|
atom x y z occ Biso |
|
Na 0 0 0 .49 1.87 |
|
Y 0 0 0 .24 1.87 |
|
Ce 0 0 0 .11 1.87 |
|
La 0 0 0 .09 1.87 |
|
Gd 0 0 0 .02 1.87 |
|
Dy 0 0 0 .02 1.87 |
|
Er 0 0 0 .01 1.87 |
|
Yb 0 0 0 .01 1.87 |
|
Pr 0 0 0 .01 1.87 |
|
Sr 0 0 .794 .71 .97 |
|
Ca 0 0 .794 .19 .97 |
|
Ba 0 0 .794 .09 .97 |
|
Na 0 0 .794 .01 .97 |
|
C 0 0 .416 1.37 |
|
O1 -.143 .143 .422 1.7 |
|
Wat2 .169 .139 .570 1/6 3.7 |
|
O2 .169 .139 .570 1/12 3.7 |
|
C2 .169 .139 .570 1/6 3.7 |
|
O3 .080 .361 .911 .25 5.6 |
|
O4 .091 .118 .653 1/6 .8 |
|
|
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|
|   |
|
Clinophosinaite |
 |
Krutik V M, Pushcharovsky D Y, Khomyakov A P, Pobedimskaya E A, Belov N V |
|   |
Soviet Physics - Crystallography 25 (1980) 138-142 |
|
Anion radical of mixed type (four [S4O12] rings and P orthotetrahedra) |
|
in the structure of monoclinic fosinaite |
|
Locality: Khibiny pegmatites, Kola Peninsula, Russia |
|
_database_code_amcsd 0015582 |
|
7.303 12.201 14.715 90 91.93 90 P2/c |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na1 0 .4622 .25 2.01 .00807 .00270 .00313 .00000 -.00011 .00000 |
|
Na2 0 .1709 .25 2.56 .01548 .00204 .00386 .00000 .00130 .00000 |
|
Na3 .5 .1251 .75 4.17 .03299 .00156 .00943 .00000 -.01462 .00000 |
|
Na4 .5 .1641 .25 3.18 .02792 .00251 .00406 .00000 -.00589 .00000 |
|
Na5 .5 .4545 .25 1.84 .00901 .00151 .00271 .00000 -.00142 .00000 |
|
Na6 .5 .5 0 .72 .00413 .00099 .00062 -.00056 -.00074 .00080 |
|
Na7 .4841 .1760 -.0055 2.70 .01116 .00557 .00265 -.00221 .00095 -.00048 |
|
Na8 .2552 .3378 .3907 .96 .00642 .00204 .00094 .00019 .00009 .00008 |
|
Na9 .2672 .0041 .1165 3.49 .01914 .00149 .00732 -.00019 -.00093 .00114 |
|
Ca1 0 .5 0 .49 .00272 .00112 .00079 -.00064 .00016 .00022 |
|
Ca2 0 .1434 .75 1.46 .01116 .00099 .00150 .00000 .00309 .00000 |
|
Ca3 .0002 .1909 .5147 1.22 .00488 .00398 .00082 .00165 -.00021 .00029 |
|
Si1 .3005 .3157 .6391 .53 .00337 .00131 .00060 -.00016 -.00037 .00004 |
|
Si2 .2658 .3578 .8405 .47 .00286 .00149 .00057 .00016 .00002 .00004 |
|
P1 .2543 .3066 .1340 .62 .00337 .00131 .00060 .00005 -.00037 .00018 |
|
P2 .2431 .0281 .3797 .87 .00319 .00127 .00077 -.00016 -.00021 .00004 |
|
O1 .2496 .1878 .6499 1.36 .01023 .00102 .00186 -.00008 .00041 .00020 |
|
O2 .2144 .3681 .5477 1.63 .01177 .00285 .00056 .00283 -.00065 .00001 |
|
O3 .4759 .3203 .8651 2.92 .00511 .01209 .00225 .00350 -.00007 .00051 |
|
O4 .2538 .3879 .7298 1.47 .01299 .00179 .00049 .00098 -.00034 -.00009 |
|
O5 .2183 .4689 .8900 1.36 .01450 .00127 .00145 -.00022 .00074 -.00055 |
|
O6 .1427 .2526 .8593 2.19 .01346 .00251 .00267 -.00280 .00237 .00008 |
|
O7 .2586 .1858 .1043 2.08 .01304 .00075 .00312 .00016 .00065 -.00032 |
|
O8 .2509 .3155 .2379 1.62 .00774 .00466 .00041 -.00126 -.00018 .00029 |
|
O9 .0743 .3545 .0925 1.27 .00370 .00275 .00189 .00042 -.00104 .00062 |
|
O10 .4223 .3644 .0999 1.21 .00375 .00325 .00168 -.00073 -.00021 .00101 |
|
O11 .2348 .1501 .4082 1.87 .00962 .00238 .00337 -.00008 .00072 -.00167 |
|
O12 .0742 .0263 .9147 .5 3.87 .01173 .00275 .01296 -.00078 .00871 -.00146 |
|
O13 .2080 .0151 .2796 .5 3.83 .06471 .00470 .00265 -.00039 .00202 -.00068 |
|
O14 .4226 .0206 .9088 .5 3.69 .01107 .00458 .01231 -.00129 -.00638 -.00078 |
|
O15 .3854 .0185 .3028 .5 .87 .01182 -.00055 -.00022 .00381 .00372 .00094 |
|
O16 .2615 .0517 .9565 .5 3.19 .04092 .00678 .00139 -.01049 .00708 -.00501 |
|
O17 .0668 .0121 .3149 .5 3.06 .00605 -.00272 .00462 .00044 .01322 .00108 |
|
|
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|
|   |
|
Rouvilleite |
 |
Yamnova N A, Pushcharovskii D Yu, Khomyakov A P, Vyatkin S V |
|   |
Soviet Physics - Crystallography 36 (1991) 14-16 |
|
Crystal structure of the new natural fluorocarbonate Na3Ca(Mn,Ca)(CO3)3F |
|
Locality: hydrothermalites, Lovozero alkaline massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0015588 |
|
8.012 15.79 7.019 90 100.78 90 Cc |
|
atom x y z occ Biso |
|
Na1 .0597 .1096 .1825 1.30 |
|
Na2 .0578 .8852 .1810 1.31 |
|
Na3 .4247 .1741 .0201 2.06 |
|
Ca1 .19231 .51002 .34615 .92 |
|
Mn2 .4425 .81066 .0333 .439 1.28 |
|
Ca2 .4425 .81066 .0333 .361 1.28 |
|
Fe2 .4425 .81066 .0333 .060 1.28 |
|
Y2 .4425 .81066 .0333 .034 1.28 |
|
Dy2 .4425 .81066 .0333 .020 1.28 |
|
C1 .2438 .3074 .3029 1.1 |
|
C2 .2479 .6955 .3075 1.1 |
|
C3 .3241 -.0050 -.0041 1.0 |
|
O1 .4881 .0033 .0444 1.9 |
|
O2 .1043 .6556 .3124 1.7 |
|
O3 .2626 .9199 -.0235 2.2 |
|
O4 .2278 .9413 .4665 2.2 |
|
O5 .3839 .6597 .3878 2.5 |
|
O6 .2460 .7662 .2233 1.8 |
|
O7 .3916 .3217 .4061 2.1 |
|
O8 .2131 .2381 .2085 2.0 |
|
O9 .1240 .3628 .2954 1.9 |
|
F .3651 .4995 .1347 .987 1.37 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Revdite |
 |
Rastsvetaeva R K, Mikheeva M G, Yamnova N A, Pushcharovskii D Yu, Khomyakov A P |
|   |
Soviet Physics - Crystallography 37 (1992) 632-636 |
|
Crystal structure of revdite Na16[Si4O6(OH)5]2[Si8O15(OH)6](OH)10*28H2O |
|
Locality: synthetic |
|
Note: changed Si6(z) sign and OH11(y) value to match reported bond distances |
|
_database_code_amcsd 0015591 |
|
53.83 9.972 6.907 90 96.78 90 C2 |
|
atom x y z Biso |
|
Si1 .2025 .208 .680 .7 |
|
Si2 .2997 .492 -.010 1.6 |
|
Si3 .2727 .498 .573 1.6 |
|
Si4 .4522 .465 .680 3.0 |
|
Si5 .4528 .028 .679 2.6 |
|
Si6 .4528 .244 -.008 2.3 |
|
Si7 .2973 .282 .319 1.2 |
|
Si8 .4741 .247 .430 2.4 |
|
Na1 .3658 .489 .128 3.1 |
|
Na2 .2082 .489 .957 2.8 |
|
Na3 .1302 .492 .833 2.3 |
|
Na4 .3830 .250 .867 2.0 |
|
Na5 .0463 .245 .014 2.9 |
|
Na6 .5 .492 0 1.9 |
|
Na7 .1175 .254 .134 2.5 |
|
Na8 .5 .001 0 1.3 |
|
Na9 .2507 .265 -.005 4.2 |
|
Wat1 .0239 .252 .576 1.3 |
|
OH2 .2427 .489 .502 .8 |
|
OH3 .1727 .235 .602 1.9 |
|
Wat4 .2762 .153 .790 2.5 |
|
OH5 .1184 .505 .202 1.9 |
|
OH6 .0750 .497 .370 2.5 |
|
OH7 .2796 .146 .274 1.3 |
|
O8 .2920 .366 .105 .6 |
|
OH9 .3813 .491 .802 2.0 |
|
OH10 .3661 .256 .186 1.7 |
|
OH11 .1327 .258 .806 2.2 |
|
OH12 .4244 .493 .632 1.9 |
|
O13 .3265 .502 .948 1.4 |
|
Wat14 .4133 .496 .216 2.7 |
|
Wat15 .3510 .495 .448 3.1 |
|
O16 .2081 .127 .852 2.9 |
|
Wat17 .1015 .258 .451 2.5 |
|
Wat18 .1528 .489 .553 2.9 |
|
Wat19 .1602 .261 .226 3.0 |
|
O20 .2776 .504 .810 1.6 |
|
OH21 .3258 .248 .382 1.6 |
|
Wat22 .0855 .505 .783 1.6 |
|
Wat23 .3401 .261 .777 1.5 |
|
Wat24 .4003 .252 .545 2.3 |
|
O25 .2863 .369 .486 1.5 |
|
Wat26 .1692 .512 .050 1.8 |
|
O27 .2127 .135 .506 1.6 |
|
OH28 .4211 .254 .046 4.1 |
|
O29 .4593 .114 .885 2.8 |
|
O30 .0283 .398 .257 2.9 |
|
OH31 .2247 .342 .194 1.9 |
|
O32 .4733 .238 .197 2.2 |
|
O33 .2187 .339 .726 1.3 |
|
O34 .4598 .378 .888 2.6 |
|
Wat35 .0255 .394 .798 3.8 |
|
O36 .4641 .114 .496 2.6 |
|
O37 .4636 .382 .493 2.5 |
|
Wat38 .0260 .097 .786 4.0 |
|
OH39 .0282 .095 .257 3.6 |
|
O40 .5 .241 .5 2.0 |
|
Wat41 .0794 .248 .917 2.6 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Mineevite-(Y) |
 |
Yamonva N A, Pushcharovskii D Y, Vyatkin S V, Khomyakov A P |
|   |
Soviet Physics - Crystallography 37 (1992) 753-756 |
|
Crystal structure of the new native sulfate-carbonate |
|
Na25BaTR2(CO3)11(HCO3)4(SO4)2F2Cl |
|
Locality: Lovozero pegmatites, Kola peninsula, Russia |
|
Note: OH occupancies chosen to reproduce chemical formula |
|
_database_code_amcsd 0015592 |
|
8.811 8.811 37.03 90 90 120 P6_3/m |
|
atom x y z occ Biso |
|
Na1 .0995 .4478 .0333 .5 |
|
Na2 .0989 .4497 .3249 1.1 |
|
Na3 1/3 2/3 .6916 .3 |
|
Na4 .1123 .6707 .6064 .9 |
|
Na5 .357 .377 .25 .8 |
|
Na6 0 0 .3974 .7 |
|
Ba 0 0 0 .48 |
|
Y 0 0 .19842 .55 .50 |
|
Gd 0 0 .19842 .25 .50 |
|
Dy 0 0 .19842 .2 .50 |
|
C1 .077 .348 .5465 .3 |
|
C2 .355 .072 .25 .2 |
|
C3 .069 .316 .6628 .2 |
|
S 1/3 2/3 .3930 .1 |
|
O1 .251 .113 .0594 .75 .7 |
|
OH1 .251 .113 .0594 .25 .7 |
|
O2 .224 .088 .1509 .1 |
|
O3 .092 .656 .7202 .9 |
|
O4 .109 .466 .6493 .5 |
|
O5 .186 .025 .25 2/3 .7 |
|
OH5 .186 .025 .25 1/3 .7 |
|
O6 .332 .038 .5230 .4 |
|
O7 .150 .510 .5591 .75 .3 |
|
OH7 .150 .510 .5591 .25 .3 |
|
O8 .248 .292 .3106 .1 |
|
O9 .187 .496 .4058 .9 |
|
O10 1/3 2/3 .3519 .2 |
|
F 1/3 2/3 .5022 .2 |
|
Cl 1/3 2/3 .25 .9 |
|
|
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|
|   |
|
Kostylevite |
 |
Ilyukhin V V, Khomyakov A P, Shumyatskaya N G, Voronkov A A, Nevskii N N, |
|
Belov N V |
|   |
Soviet Physics Doklady 26 (1981) 118-120 |
|
The crystal structure of the new natural zirconosilicate K4Zr2Si6O18*2H2O |
|
Locality: Khibinsk massif, Kola Peninsula, Russia |
|
Note: dimorphic with umbite |
|
Note: y(O7) corrected |
|
_database_code_amcsd 0015609 |
|
6.565 13.171 11.727 90 90 105.26 P2_1/b |
|
atom x y z Biso |
|
K1 .7950 .0853 .5484 1.78 |
|
K2 .6816 .8849 .8831 3.03 |
|
Zr .1223 .2205 .7834 .72 |
|
Si1 .8438 .1557 .0275 .68 |
|
Si2 .5885 .1513 .8132 .64 |
|
Si3 .7909 .0181 .2357 .61 |
|
O1 .8037 .2003 .7470 1.06 |
|
O2 .0573 .1920 .9536 1.24 |
|
O3 .4391 .2298 .8145 1.20 |
|
O4 .1649 .3775 .8129 1.12 |
|
O5 .1943 .2557 .6115 1.20 |
|
O6 .0770 .0636 .7326 1.21 |
|
O7 .6372 .1188 .9436 1.41 |
|
O8 .8495 .0525 .1024 1.38 |
|
O9 .4662 .0376 .7568 1.01 |
|
Wat .4029 .1243 .4927 2.83 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Grumantite |
 |
Yamnova N Y, Pushcharovsky D Y, Andrianov V I, Rastsvetaeva R K, |
|
Khomyakov A P, Mikheeva M G |
|   |
Soviet Physics Doklady 34 (1989) 284-286 |
|
A new type of silicon-oxygen group in the structure of grumantite |
|
Na[Si2O4(OH)]*H2O |
|
Locality: Lovozero massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0015617 |
|
15.979 18.25 7.169 90 90 90 Fdd2 |
|
atom x y z Biso |
|
Na .1382 .2385 .8868 1.44 |
|
Si1 .1030 .2258 .3753 .56 |
|
Si2 .2241 .0907 .3719 .51 |
|
O1 .1691 .1618 .4289 1.06 |
|
O2 .1589 .0243 .3149 .81 |
|
O4 .0413 .1452 .9666 .90 |
|
O6 .0140 .1873 .3233 .78 |
|
Oh5 .1183 .0253 .9513 1.17 |
|
Ow3 .0079 .0843 .6276 1.49 |
|
H1 .015 .112 .72 1.5 |
|
H2 .010 .120 .54 1.5 |
|
H3 .095 .071 .97 1.5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Dawsonite |
 |
Chinh L T, Pobedimskaya E A, Khomyakov A P |
|   |
Vestnik Moskovskogo Universiteta Geologiya 42 (1987) 74-77 |
|
Crystal structure of dawsonite, NaAl(CO3)(OH)2 and its first discovery in the |
|
Khibiny alkaline massiv |
|
Locality: Khibiny alkaline massif, Kola peninsula, Russia |
|
_database_code_amcsd 0015709 |
|
6.762 10.428 5.593 90 90 90 I2cm |
|
atom x y z Biso |
|
Na .7401 .7495 .25 1.87 |
|
Al -.0040 0 0 .69 |
|
C -.0180 .7514 .75 .77 |
|
O1 -.0150 .3675 .25 1.42 |
|
O2 -.0015 .8149 .5488 1.32 |
|
O3 .1682 -.0222 .25 .31 |
|
O4 .8004 -.0295 .25 1.68 |
|
H1 .2264 .4837 .25 |
|
H2 .7649 .4659 .25 |
|
|
| 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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