|
Bassanite |
 |
Ballirano P, Maras A, Meloni S, Caminiti R |
|
European Journal of Mineralogy 13 (2001) 985-993 |
|
The monoclinic I2 structure of bassanite, calcium sulphate hemihydrate |
|
_database_code_amcsd 0006909 |
|
12.0350 6.9294 12.6705 90 90.266 90 I2 |
|
atom x y z Biso |
|
Ca1 0 .5 0 .91 |
|
Ca2 .5 .011 0 .91 |
|
Ca3 .2380 .199 .1677 .91 |
|
Ca4 .2217 .165 .6648 .91 |
|
S1 -.0016 .499 .2493 .75 |
|
S2 .2247 .164 .9183 .75 |
|
S3 .2282 .185 .4146 .75 |
|
O1 .127 .211 .984 .90 |
|
O2 .125 .230 .473 .90 |
|
O3 .074 .616 .315 .90 |
|
O4 .075 .620 .816 .90 |
|
O5 .196 .044 .332 .90 |
|
O6 .205 -.015 .858 .90 |
|
O7 .057 .366 .178 .90 |
|
O8 .058 .376 .673 .90 |
|
O9 .272 .359 .361 .90 |
|
O10 .238 .317 .838 .90 |
|
O11 .319 .161 .991 .90 |
|
O12 .308 .103 .491 .90 |
|
Wat1 0 .843 0 6.4 |
|
Wat2 .953 .004 .353 6.4 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Bassanite |
 |
Schmidt H, Paschke I, Freyer D, Voigt W |
 |
Acta Crystallographica B67 (2011) 467-475 |
|
Water channel structure of bassanite at high air humidity: |
|
crystal structure of CaSO4*0.625H2O |
|
Note: ambient conditions |
|
Locality: synthetic |
|
_database_code_amcsd 0019833 |
|
17.5180 6.92910 12.0344 90 133.655 90 C2 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 .33496 .29588 .57126 .0128 .0062 .0164 .0127 -.0001 .0053 -.0024 |
|
Ca2 -.16388 .34101 .05509 .01086 .0080 .0111 .0109 -.0007 .0056 .0005 |
|
Ca3 0 .5050 .5 .0118 .0070 .0190 .0077 .000 .0044 .000 |
|
Ca4 0 .0014 0 .0118 .0060 .0197 .0076 .000 .0039 .000 |
|
S1 .08626 .3120 .31005 .0102 .0064 .0134 .0092 -.0003 .0048 .0005 |
|
S2 .24834 .0029 .24705 .0084 .0032 .0177 .0050 .0009 .0031 .0011 |
|
S3 .57935 .3338 .80377 .0096 .0063 .0130 .0084 .0013 .0045 .0028 |
|
O1 .0134 .3877 .3186 .0125 .0132 .0142 .0117 -.0004 .0092 -.0024 |
|
O2 .0272 .2603 .1521 .0164 .0094 .0205 .0148 -.0002 .0066 -.0023 |
|
O3 .1466 .1475 .4151 .0177 .0103 .0188 .0150 .0090 .0053 .0083 |
|
O4 .1659 .4619 .3609 .0141 .0116 .0064 .0208 -.0030 .0099 -.0024 |
|
O5 .1720 .1210 .1076 .0141 .0088 .0163 .0125 .0044 .0055 .0063 |
|
O6 .1830 .3859 .7602 .0146 .0078 .0190 .0183 -.0057 .0095 -.0018 |
|
O7 .3192 .1274 .3843 .0146 .0130 .0145 .0137 -.0025 .0083 -.0062 |
|
O8 .6651 .1904 .9036 .0140 .0011 .0146 .0145 .0028 .0010 .0029 |
|
O9 .6290 .5187 .8348 .0197 .0172 .0176 .0212 -.0073 .0120 -.0043 |
|
O10 .5120 .3333 .8354 .0165 .0122 .019 .0133 .0029 .0069 -.0037 |
|
O11 .5122 .2868 .6418 .0153 .0146 .0134 .0132 -.0033 .0078 -.0030 |
|
O12 .3171 .3751 .7433 .0144 .0048 .0167 .0171 .0036 .0058 -.0011 |
|
O13 0 .1599 .5 .0355 .058 .019 .033 .000 .033 .000 |
|
O14 -.1689 .5093 -.1181 .0667 .161 .0177 .084 .017 .109 .0137 |
|
H1 -.185 .603 -.151 .100 |
|
H2 -.198 .472 -.199 .100 |
|
H3 .017 .100 .550 .100 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Bassanite |
 |
Schmidt H, Paschke I, Freyer D, Voigt W |
 |
Acta Crystallographica B67 (2011) 467-475 |
|
Water channel structure of bassanite at high air humidity: |
|
crystal structure of CaSO4*0.625H2O |
|
Note: at 75% humidity |
|
Locality: synthetic |
|
_database_code_amcsd 0019834 |
|
13.8690 13.8690 12.71890 90 90 120 P3_221 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 .76903 0 1/6 .0126 .0162 .0130 .0076 .0065 -.0002 -.0004 |
|
Ca2 .49029 .77610 .33088 .0142 .0138 .0189 .0082 .0071 -.0005 -.0012 |
|
Ca3 .74268 .74268 0 .0122 .0154 .0154 .0074 .0088 -.0001 .0001 |
|
Ca4 .71424 .71424 .5 .0148 .0187 .0187 .0115 .0129 .0008 -.0008 |
|
Ca5 .50256 .77197 -.16455 .0135 .0134 .0148 .0102 .0054 -.0003 -.0013 |
|
Ca6 .78358 0 2/3 .0123 .0139 .0130 .0097 .0065 .0001 .0003 |
|
S1 .50186 .77388 .08244 .0099 .0110 .0113 .0065 .0050 -.0002 -.0002 |
|
S2 .77410 .99600 .41478 .0103 .0128 .0122 .0063 .0066 .0001 .0002 |
|
S3 .72701 .72106 -.24660 .0096 .0118 .0128 .0061 .0074 .0005 -.0007 |
|
S4 .21741 .72177 .24212 .0100 .0119 .0120 .0067 .0066 .0004 -.0006 |
|
O1 .6334 .6938 -.1736 .0160 .0150 .0203 .0126 .0087 .0053 .0009 |
|
O2 .1951 .6233 .1778 .0166 .0187 .0169 .0154 .0097 .0007 -.0063 |
|
O3 .4352 .7974 .0072 .0169 .0199 .0231 .0073 .0104 -.0038 -.0006 |
|
O4 .7339 .7999 -.3272 .0169 .0250 .0208 .0063 .0125 -.0013 .0032 |
|
O5 .5663 .7355 .0209 .0206 .0184 .035 .0128 .0163 .0010 -.0057 |
|
O6 .8680 .0603 .3412 .0164 .0167 .0199 .0113 .0083 .0039 .0015 |
|
O7 .8289 .7705 -.1815 .0175 .0160 .0281 .0111 .0130 -.0037 -.0029 |
|
O8 .7927 .9169 .4753 .0180 .0185 .0187 .0192 .0112 .0018 .0058 |
|
O9 .4298 .6907 .1594 .0151 .0158 .0171 .0052 .0028 .0040 .0046 |
|
O10 .2966 .7407 .3266 .0167 .0214 .0265 .0056 .0145 -.0035 -.0002 |
|
O11 .7664 .0720 .4902 .0163 .0229 .0194 .0103 .0133 .0005 -.0021 |
|
O12 .6738 .9397 .3496 .0178 .0155 .0173 .0165 .0051 -.0072 -.0016 |
|
O13 .5778 .8753 .1423 .0187 .0207 .0133 .0174 .0050 -.0063 -.0069 |
|
O14 .1128 .7027 .2901 .0200 .0131 .0230 .0239 .0091 .0101 .0043 |
|
O15 .2623 .8162 .1692 .0171 .0277 .0183 .0108 .0156 .0035 .0054 |
|
O16 .5018 .9431 -.1888 .0336 .022 .026 .051 .0103 .0043 .0107 |
|
O17 .9508 0 2/3 .0560 .023 .022 .123 .0108 -.005 -.011 |
|
O18 .7094 .6206 -.3009 .0199 .0257 .0156 .0200 .0116 .0021 -.0047 |
|
O19 .4803 .9522 .2989 .0663 .039 .047 .093 .006 .017 -.015 |
|
H1 .453 .985 .258 .099 |
|
H2 .545 .982 .277 .099 |
|
H3 .564 .993 -.205 .099 |
|
H4 .457 .966 -.181 .099 |
|
H5 .005 .060 .678 .099 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Bassanite |
 |
Abriel W |
 |
Acta Crystallographica C39 (1983) 956-958 |
|
Calcium sulfat subhydrat, CaSO4.0,8H2O |
|
Locality: synthetic |
|
_database_code_amcsd 0019836 |
|
6.968 6.968 6.410 90 90 120 P3_121 |
|
atom x y z occ Biso |
|
Ca .5424 0 5/6 1.89 |
|
S .5481 0 1/3 0.97 |
|
O1 .5952 .8564 .4656 2.03 |
|
O2 .3693 .8731 .1897 1.66 |
|
Wat .9143 0 5/6 .81 4.75 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Bassanite |
 |
Abriel W, Nesper R |
 |
Zeitschrift fur Kristallographie 205 (1993) 99-113 |
|
Bestimmung der Kristallstruktur von CaSO4(H2O)0.5 mit |
|
Rontgenbeugungsmethoden und mit Potentialprofil-Rechnungen |
|
Locality: synthetic |
|
_database_code_amcsd 0019827 |
|
12.0275 6.9312 12.6919 90 90.18 90 I2 |
|
atom x y z |
|
Ca1 0 .4553 0 |
|
Ca2 0 .4553 .5 |
|
Ca3 .2724 .2724 .1667 |
|
Ca4 .7276 .2724 .3333 |
|
S1 .7248 .2752 .0833 |
|
S2 0 .4496 .25 |
|
S3 .2752 .2752 .4167 |
|
O1 .1291 .726 .0173 |
|
O2 .1291 .726 .5173 |
|
O3 .2985 .4435 .8507 |
|
O4 .2985 .4435 .3507 |
|
O5 .0725 .3306 .184 |
|
O6 .0725 .3306 .684 |
|
O7 .2538 .6185 .1556 |
|
O8 .2538 .6185 .6556 |
|
O9 .1824 .3102 .9889 |
|
O10 .1824 .3102 .4889 |
|
O11 .0639 .5714 .8222 |
|
O12 .0639 .5714 .3222 |
|
Ow1 .5 .5985 0 |
|
Ow2 .5493 .4508 .3333 |
|
H1 .428 .671 0 |
|
H2 .55 .307 .333 |
|
H3 .621 .523 .333 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Bassanite |
 |
Abriel W, Nesper R |
 |
Zeitschrift fur Kristallographie 205 (1993) 99-113 |
|
Bestimmung der Kristallstruktur von CaSO4(H2O)0.5 mit |
|
Rontgenbeugungsmethoden und mit Potentialprofil-Rechnungen |
|
Locality: synthetic |
|
_database_code_amcsd 0019828 |
|
6.937 6.937 6.345 90 90 120 P3_121 |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .5447 0 5/6 .0331 .0162 .0120 -.0004 -.0002 .0081 |
|
S .5504 0 1/3 .0144 .0114 .0120 .0030 .0015 .0057 |
|
O1 .5969 .8550 .4653 .0224 .0256 .0376 .0215 .0042 .0152 |
|
O2 .3647 .8722 .1889 .0269 .0152 .0158 -.0027 -.0025 -.0012 |
|
Wat .9015 0 5/6 .5 .0264 .0376 .179 -.027 -.0134 .0188 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Bassanite |
 |
Bezou C, Christensen A N, Cox D, Lehmann M, Nonat A |
  |
Comptes Rendus de l'Academie des Sciences Paris 312 (1991) 43-48 |
|
Structures cristallines de CaSO4,0,5H2O et CaSO4,0,6H2O |
|
Note: CaSO4*0.5H2O |
|
Locality: synthetic |
|
_database_code_amcsd 0019823 |
|
12.01917 6.93028 12.66972 90 90.2348 90 I2 |
|
atom x y z Biso |
|
Ca1 0 .1191 .5 .45 |
|
Ca2 .7238 .2817 .8217 .31 |
|
Ca3 .2678 .3246 .6709 .14 |
|
Ca4 0 .1397 0 .15 |
|
S1 -.0024 .1239 .7385 .89 |
|
S2 .7178 .2821 .5840 .94 |
|
S3 .2666 .2935 .9231 .89 |
|
O11 .0601 .2767 .6792 1.48 |
|
O12 .0615 .0144 .8137 1.65 |
|
O21 -.0809 .2283 .8106 1.40 |
|
O22 -.0727 -.0321 .6898 1.54 |
|
O31 .7404 .4321 .6647 1.40 |
|
O32 .6341 .3644 .5093 1.33 |
|
O33 .8135 .2615 .5116 1.31 |
|
O34 .6996 .0927 .6372 1.40 |
|
O41 .2382 .4472 .8459 1.71 |
|
O42 .3678 .3383 .9874 1.03 |
|
O43 .1910 .2122 .0033 1.13 |
|
O44 .3029 .1441 .8460 1.2 |
|
Ow2 .0599 .5988 .3421 1.03 |
|
Ow1 0 .4555 0 1.67 |
|
H1 .0522 .5552 .0380 4.59 |
|
H2 -.0343 .6035 .4086 5.46 |
|
H3 .0838 .4869 .2861 5.48 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Bassanite |
 |
Bezou C, Christensen A N, Cox D, Lehmann M, Nonat A |
  |
Comptes Rendus de l'Academie des Sciences Paris 312 (1991) 43-48 |
|
Structures cristallines de CaSO4,0,5H2O et CaSO4,0,6H2O |
|
Note: CaSO4*0.6H2O |
|
Locality: synthetic |
|
_database_code_amcsd 0019824 |
|
11.9991 6.9254 6.3766 90 90.00 90 C2 |
|
atom x y z occ Biso |
|
Ca1 .2743 .1818 .6550 .4 |
|
Ca2 0 0 0 .38 |
|
S1 0 0 .5 .71 |
|
S2 .2684 .1543 .1642 .84 |
|
O1 .0566 .8678 .3524 1.66 |
|
O2 -.0905 .1059 .3929 1.47 |
|
O3 .2424 .3183 .3066 1.66 |
|
O4 .3657 .1720 .0234 1.71 |
|
O5 .1962 .0651 .0008 1.78 |
|
O6 .2981 -.0163 .2946 1.64 |
|
Ow7 .0556 .4846 .2947 .9 2.18 |
|
H1 .0584 .3479 .3508 .9 7.40 |
|
H2 -.0030 .4923 .1802 .9 9.31 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Bassanite |
 |
Bushuev N N |
  |
Doklady Akademii Nauk SSSR 255 (1980) 1104-1109 |
|
On the structural features of CaSO4*0,5H2O and CaSO4*0,67H2O |
|
_database_code_amcsd 0019825 |
|
12.028 12.674 6.927 90 90 90.21 B2 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca1 .0004 .2504 -.0030 .0007 .0007 .0045 -.0002 -.0008 -.0005 |
|
Ca2 .7370 .4148 .1942 .0013 .0004 .0074 .0010 .0021 .0027 |
|
Ca3 .2819 .0855 .1592 .0013 .0011 .0087 .0001 -.0026 .0021 |
|
S1 0 0 0 .0008 .0009 .0030 .0001 0 0 |
|
S2 0 .5 -.0021 .0017 .0012 .0094 -.0005 0 0 |
|
S3 .7251 .1631 .1916 .0015 .0014 .0062 -.0002 .0020 .0006 |
|
S4 .2757 .3305 .1602 .0015 .0004 -.0031 .0003 -.0002 -.0019 |
|
O1 .5604 .4287 .3682 .0005 .0024 .0099 .0006 .0050 -.0011 |
|
O2 .9275 .4404 .1307 .0021 .0022 .0051 -.0025 .0026 .0028 |
|
O3 .2920 .3883 -.0149 .0011 .0047 .0235 -.0039 .0040 .0113 |
|
O4 .0752 .0708 .1114 .0030 .0002 .0070 -.0011 .0033 -.0044 |
|
O5 .6272 .2283 .2346 .0029 .0021 .0144 .0018 .0013 -.0010 |
|
O6 .3709 .2628 .2190 .0023 .0031 .0276 .0036 -.0011 .0062 |
|
O7 .6943 .0863 .0319 .0021 .0048 .0104 .0027 -.0062 -.0127 |
|
O8 .8247 .2395 .1295 .0007 .0011 .0094 -.0003 .0073 -.0010 |
|
O9 .1913 .2607 .1480 .0022 .0023 .0193 -.0040 -.0031 .0031 |
|
O10 .7467 .0902 .3292 .0018 .0018 .0074 .0012 .0002 -.0029 |
|
O11 .2427 .4022 .3368 .0008 .0023 .0153 -.0002 .0054 -.0060 |
|
O12 .4342 .0757 .3943 .0036 .0028 .0115 .0011 -.0006 .0041 |
|
Wat13 .0006 .2519 .3467 .662 .0079 .0106 .0148 -.0062 .0061 .0098 |
|
Wat14 .9427 .0584 .4955 .818 .0070 .0085 .0305 -.0015 .0010 -.0216 |
|
Wat15 .0467 .3905 .4782 .505 .0130 .0035 .0177 .0080 -.0035 .0019 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Bassanite |
 |
Bezou C, Nonat A, Mutin J C, Christensen A N, Lehmann M S |
  |
Journal of Solid State Chemistry 117 (1995) 165-176 |
|
Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O) |
|
by powder diffraction methods |
|
Locality: Maurienne, France |
|
Sample: SH1, X-ray diffraction |
|
_database_code_amcsd 0013867 |
|
12.0317 6.9272 12.6711 90 90.27 90 I2 |
|
atom x y z Biso |
|
Ca1 0 .003 .5 .5 |
|
Ca2 .720 .164 .158 .5 |
|
Ca3 .263 .206 .336 .4 |
|
Ca4 0 0 0 .3 |
|
S2 .001 .003 .254 .8 |
|
S3 .724 .172 .418 .8 |
|
S4 .275 .183 .086 .9 |
|
O11 .076 .144 .309 1.0 |
|
O12 .066 -.130 .186 .9 |
|
O21 -.069 .108 .176 1.0 |
|
O22 -.063 -.111 .331 .9 |
|
O31 .737 .306 .330 .9 |
|
O32 .635 .227 .495 1.0 |
|
O33 .824 .157 .485 1.0 |
|
O34 .700 -.016 .365 1.0 |
|
O41 .236 .349 .147 1.1 |
|
O42 .378 .241 .028 .6 |
|
O43 .196 .099 .009 .7 |
|
O44 .300 .043 .169 .8 |
|
Wat2 .044 .481 .650 2.5 |
|
Wat1 0 .347 0 2.2 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Bassanite |
 |
Bezou C, Nonat A, Mutin J C, Christensen A N, Lehmann M S |
  |
Journal of Solid State Chemistry 117 (1995) 165-176 |
|
Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O) |
|
by powder diffraction methods |
|
Locality: Maurienne, France |
|
Sample: SH1, neutron Diffraction |
|
_database_code_amcsd 0013868 |
|
12.0317 6.9269 12.6712 90 90.27 90 I2 |
|
atom x y z Biso |
|
Ca1 0 .015 .5 .5 |
|
Ca2 .718 .177 .157 .6 |
|
Ca3 .263 .218 .337 .7 |
|
Ca4 0 0 0 .7 |
|
S2 -.002 .024 .253 .9 |
|
S3 .723 .191 .417 1.0 |
|
S4 .276 .204 .087 1.0 |
|
O11 .072 .156 .315 1.3 |
|
O12 .063 -.102 .181 1.3 |
|
O21 -.079 .130 .180 1.1 |
|
O22 -.065 -.105 .325 1.1 |
|
O31 .738 .338 .333 1.3 |
|
O32 .629 .232 .489 1.2 |
|
O33 .825 .180 .486 1.3 |
|
O34 .706 -.003 .365 1.3 |
|
O41 .226 .364 .148 1.3 |
|
O42 .376 .244 .022 1.2 |
|
O43 .194 .131 .007 1.2 |
|
O44 .299 .042 .161 1.2 |
|
Ow2 .049 .503 .650 2.6 |
|
Ow1 0 .349 0 2.5 |
|
H1 -.049 .436 .039 5.3 |
|
H2 -.021 .567 .659 5.6 |
|
H3 .049 .400 .703 5.5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Bassanite |
 |
Bezou C, Nonat A, Mutin J C, Christensen A N, Lehmann M S |
  |
Journal of Solid State Chemistry 117 (1995) 165-176 |
|
Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O) |
|
by powder diffraction methods |
|
Locality: Maurienne, France |
|
Sample: SH2, X-ray diffraction |
|
_database_code_amcsd 0013869 |
|
11.9845 6.9292 12.7505 90 90 90 I2 |
|
atom x y z occ Biso |
|
Ca1 0 .026 .5 .8 |
|
Ca2 .722 .178 .166 .2 |
|
Ca3 .270 .187 .322 .4 |
|
Ca4 0 0 0 .7 |
|
S2 .007 .009 .247 .7 |
|
S3 .724 .168 .408 .7 |
|
S4 .273 .177 .085 .7 |
|
O11 .074 .121 .304 1.0 |
|
O12 .058 .899 .182 1.0 |
|
O21 -.082 .113 .187 1.0 |
|
O22 -.044 .875 .324 1.0 |
|
O31 .743 .344 .343 .9 |
|
O32 .629 .236 .479 1.0 |
|
O33 .813 .174 .489 1.0 |
|
O34 .697 -.022 .354 1.0 |
|
O41 .183 .312 .124 1.1 |
|
O42 .368 .248 .018 .6 |
|
O43 .199 .147 -.007 .7 |
|
O44 .296 .053 .181 .9 |
|
Wat2 .426 -.001 .345 .9 1.7 |
|
Wat1 .542 -.023 .129 .9 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 (permalink) |
  |
|
Bassanite |
 |
Bezou C, Nonat A, Mutin J C, Christensen A N, Lehmann M S |
  |
Journal of Solid State Chemistry 117 (1995) 165-176 |
|
Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O) |
|
by powder diffraction methods |
|
Locality: Maurienne, France |
|
Sample: SH2, neutron Diffraction |
|
_database_code_amcsd 0013870 |
|
11.9845 6.9292 12.7505 90 90 90 I2 |
|
atom x y z occ Biso |
|
Ca1 0 .000 .5 .6 |
|
Ca2 .723 .139 .141 .7 |
|
Ca3 .259 .189 .341 .7 |
|
Ca4 0 0 0 .3 |
|
S2 -.001 .007 .244 .7 |
|
S3 .718 .163 .405 .7 |
|
S4 .276 .162 .091 .7 |
|
O11 .087 .109 .301 1.6 |
|
O12 .089 -.088 .177 1.7 |
|
O21 -.049 .110 .156 1.7 |
|
O22 -.066 .861 .314 1.7 |
|
O31 .732 .308 .319 1.7 |
|
O32 .621 .214 .474 1.6 |
|
O33 .804 .147 .490 1.6 |
|
O34 .697 -.035 .360 1.7 |
|
O41 .232 .320 .161 1.6 |
|
O42 .376 .199 .025 1.6 |
|
O43 .186 .120 .012 1.6 |
|
O44 .295 -.008 .163 1.7 |
|
Ow2 .455 .024 .329 .9 1.9 |
|
Ow1 .556 -.004 .167 .9 2.3 |
|
H1 .515 .031 .382 .9 3.6 |
|
H2 .469 -.095 .288 .9 4.4 |
|
H3 .500 .087 .191 .9 1.4 |
|
H4 .548 .884 .212 .9 6.7 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Bassanite |
 |
Gallitelli P |
  |
Periodico di Mineralogia 4 (1933) 132-171 |
|
Ricerche sul solfato di calcio semidrato e sull'anidrite solubile |
|
_cod_database_code 1010918 |
|
_database_code_amcsd 0017644 |
|
6.86 6.86 12.7 90 90 120 *P3_221 |
|
0 0 2/3 |
|
atom x y z |
|
Ca1 0 .450 2/3 |
|
Ca2 0 .450 1/6 |
|
S1 .450 0 .25 |
|
O1 .344 .105 .317 |
|
O2 .555 -.105 .317 |
|
O3 .271 -.179 .182 |
|
O4 .628 .179 .182 |
|
O5 0 0 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 (permalink) |
  |
Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking
Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking
Total number of retrieved datasets: