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Howlite |
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Finney J J, Kumbasar I, Konnert J A, Clark J R |
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American Mineralogist 55 (1970) 716-728 |
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Crystal structure of the calcium silicoborate, howlite |
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_database_code_amcsd 0000202 |
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12.78 9.33 8.60 90 104.83 90 P2_1/c |
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atom x y z Biso |
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Ca1 .1171 .1838 .1493 .8 |
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Ca2 .4118 .8216 .5228 .7 |
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Si .1411 .5549 .0115 .7 |
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B1 .039 .471 .257 1.2 |
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B2 .323 .384 .033 1.0 |
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B3 .492 .423 .256 1.4 |
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B4 .343 .261 .284 1.1 |
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B5 .157 .650 .476 1.3 |
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O1 .081 .512 -.174 .9 |
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O2 .127 .723 .047 1.4 |
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O3 .102 .450 .137 .8 |
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O4 .269 .525 .030 .9 |
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O5 .061 .597 .355 .5 |
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O6 .438 .407 .078 1.1 |
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O7 .292 .171 .364 .8 |
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O8 .287 .282 .130 1.0 |
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O9 .438 .333 .352 .8 |
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OH10 .497 .570 .294 1.1 |
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OH11 .601 .356 .272 .9 |
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OH12 .246 .685 .398 1.0 |
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OH13 .197 .542 .599 .8 |
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OH14 .055 .338 .351 .5 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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Howlite |
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Griffen D T |
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American Mineralogist 73 (1988) 1138-1144 |
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Howlite, Ca2SiB5O9(OH)5: Structure refinement and hydrogen bonding |
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_database_code_amcsd 0001197 |
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12.820 9.351 8.608 90 104.84 90 P2_1/c |
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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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Ca1 .11738 .18339 .14917 .0080 .0080 .0091 -.0008 .0026 -.0006 |
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Ca2 .41192 .82088 .52253 .0071 .0088 .0101 .0010 .0023 .0016 |
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Si .14127 .55510 .01101 .0054 .0055 .0054 .0003 .0018 -.0001 |
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B1 .0371 .4728 .2559 .0061 .0078 .0066 .0004 .0015 -.0003 |
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B2 .3226 .3834 .0268 .0061 .0070 .0064 .0001 .0012 .0000 |
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B3 .4927 .4209 .2508 .0073 .0073 .0089 .0002 .0019 .0010 |
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B4 .3425 .2623 .2862 .0074 .0074 .0080 -.0001 .0022 .0004 |
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B5 .1573 .6489 .4697 .0072 .0069 .0077 -.0005 .0014 -.0006 |
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O1 .0803 .5138 -.1738 .0059 .0117 .0067 .0003 .0006 -.0015 |
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O2 .1251 .7217 .0502 .0146 .0058 .0108 .0021 .0062 .0015 |
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O3 .0992 .4525 .1349 .0098 .0078 .0093 .0008 .0058 .0009 |
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O4 .2687 .5237 .0306 .0057 .0065 .0101 .0006 .0017 -.0004 |
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O5 .0614 .5997 .3529 .0075 .0078 .0095 .0001 .0008 -.0025 |
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O6 .4387 .4088 .0801 .0054 .0110 .0064 -.0002 .0011 .0007 |
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O7 .2914 .1692 .3631 .0086 .0106 .0064 -.0020 .0011 .0019 |
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O8 .2870 .2812 .1290 .0080 .0096 .0086 -.0022 .0012 .0025 |
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O9 .4372 .3332 .3539 .0076 .0093 .0076 -.0021 .0017 .0004 |
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O10 .4964 .5711 .2940 .0175 .0087 .0134 -.0019 .0016 -.0008 |
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O11 .6014 .3568 .2724 .0058 .0115 .0130 -.0006 .0008 .0014 |
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O12 .2477 .6851 .3994 .0104 .0156 .0106 -.0037 .0046 -.0016 |
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O13 .1975 .5421 .5987 .0122 .0104 .0118 -.0005 .0007 .0039 |
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O14 .0549 .3363 .3524 .0087 .0083 .0088 -.0007 .0022 .0021 |
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H10 .534 .593 .385 .0371 |
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H11 .345 .598 .681 .0308 |
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H12 .225 .685 .298 .0522 |
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H13 .185 .574 -.308 .0367 |
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H14 .007 .704 -.342 .0258 |
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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 (permalink)
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