American Mineralogist Crystal Structure Database

23 matching records for this search.

Brushite
Download hom/brushite.pdf
Schofield P F, Knight K S, van der Houwen J A M, Valsami-Jones E
 
Physics and Chemistry of Minerals 31 (2004) 606-624
The role of hydrogen bonding in the thermal expansion and dehydration
of brushite, di-calcium phosphate dihydrate
Sample: T = 4.2 K
_database_code_amcsd 0008880
5.79903 15.1254 6.18398 90 116.429 90 Ia
atom       x     y      z  Uiso
Ca        .5 .3274    .25 .0038
P     -.0094 .3227  .7285 .0002
OD1   -.0097 .3679 -.0351 .0040
O2     .2556 .2819  .8215 .0025
O3    -.0650 .3933  .5415 .0034
O4     .7791 .2532  .6355 .0012
OD2O1  .3676 .4258  .4861 .0040
OD2O2  .5257 .4464  .0135 .0077
D1    -.0979 .3303  .0346 .0169
D2     .3844 .4894  .4920 .0139
D3     .2050 .4122  .4862 .0159
D4     .5117 .5107  .0160 .0222
D5     .5007 .4332  .8546 .0248
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Brushite
Download hom/brushite.pdf
Schofield P F, Knight K S, van der Houwen J A M, Valsami-Jones E
 
Physics and Chemistry of Minerals 31 (2004) 606-624
The role of hydrogen bonding in the thermal expansion and dehydration
of brushite, di-calcium phosphate dihydrate
Sample: T = 10 K
_database_code_amcsd 0008881
5.7990 15.1255 6.1839 90 116.428 90 Ia
atom       x     y      z  Uiso
Ca        .5 .3274    .25 .0036
P     -.0100 .3227  .7280 .0004
OD1   -.0098 .3680 -.0356 .0037
O2     .2553 .2819  .8209 .0026
O3    -.0647 .3933  .5408 .0037
O4     .7794 .2531  .6349 .0014
OD2O1  .3672 .4258  .4858 .0035
OD2O2  .5252 .4463  .0131 .0085
D1    -.0981 .3301  .0338 .0170
D2     .3842 .4895  .4916 .0138
D3     .2055 .4120  .4859 .0157
D4     .5116 .5107  .0156 .0222
D5     .5010 .4330  .8543 .0254
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Brushite
Download hom/brushite.pdf
Schofield P F, Knight K S, van der Houwen J A M, Valsami-Jones E
 
Physics and Chemistry of Minerals 31 (2004) 606-624
The role of hydrogen bonding in the thermal expansion and dehydration
of brushite, di-calcium phosphate dihydrate
Note: Obvious typo in the x-coordinate of D2 corrected
Sample: T = 20 K
_database_code_amcsd 0008882
5.7991 15.1251 6.1840 90 116.429 90 Ia
atom       x     y      z  Uiso
Ca        .5 .3275    .25 .0041
P     -.0091 .3226  .7282 .0004
OD1   -.0094 .3680 -.0353 .0036
O2     .2560 .2819  .8213 .0024
O3    -.0639 .3933  .5415 .0036
O4     .7797 .2531  .6352 .0015
OD2O1  .3680 .4258  .4859 .0033
OD2O2  .5264 .4464  .0133 .0085
D1    -.0968 .3303  .0348 .0171
D2     .3850 .4894  .4916 .0145
D3     .2062 .4120  .4860 .0154
D4     .5125 .5106  .0160 .0230
D5     .5003 .4332  .8541 .0256
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Brushite
Download hom/brushite.pdf
Schofield P F, Knight K S, van der Houwen J A M, Valsami-Jones E
 
Physics and Chemistry of Minerals 31 (2004) 606-624
The role of hydrogen bonding in the thermal expansion and dehydration
of brushite, di-calcium phosphate dihydrate
Sample: T = 30 K
_database_code_amcsd 0008883
5.7990 15.1255 6.1839 90 116.427 90 Ia
atom       x     y      z  Uiso
Ca        .5 .3273    .25 .0034
P     -.0092 .3228  .7281 .0002
OD1   -.0096 .3678 -.0355 .0046
O2     .2561 .2819  .8210 .0030
O3    -.0644 .3933  .5411 .0037
O4     .7794 .2537  .6352 .0014
OD2O1  .3677 .4258  .4861 .0040
OD2O2  .5252 .4465  .0134 .0084
D1    -.0983 .3298  .0338 .0173
D2     .3848 .4894  .4919 .0141
D3     .2058 .4119  .4853 .0157
D4     .5118 .5108  .0160 .0232
D5     .5011 .4328  .8543 .0249
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Brushite
Download hom/brushite.pdf
Schofield P F, Knight K S, van der Houwen J A M, Valsami-Jones E
 
Physics and Chemistry of Minerals 31 (2004) 606-624
The role of hydrogen bonding in the thermal expansion and dehydration
of brushite, di-calcium phosphate dihydrate
Sample: T = 40 K
_database_code_amcsd 0008884
5.7991 15.1253 6.1842 90 116.428 90 Ia
atom       x     y      z  Uiso
Ca        .5 .3273    .25 .0039
P     -.0095 .3226  .7288 .0005
OD1   -.0097 .3680 -.0352 .0038
O2     .2556 .2817  .8216 .0027
O3    -.0640 .3933  .5419 .0035
O4     .7796 .2532  .6357 .0017
OD2O1  .3673 .4258  .4861 .0039
OD2O2  .5255 .4464  .0135 .0085
D1    -.0973 .3302  .0349 .0170
D2     .3847 .4894  .4920 .0143
D3     .2057 .4120  .4860 .0161
D4     .5124 .5107  .0166 .0228
D5     .5013 .4331  .8552 .0249
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Brushite
Download hom/brushite.pdf
Schofield P F, Knight K S, van der Houwen J A M, Valsami-Jones E
 
Physics and Chemistry of Minerals 31 (2004) 606-624
The role of hydrogen bonding in the thermal expansion and dehydration
of brushite, di-calcium phosphate dihydrate
Sample: T = 50 K
_database_code_amcsd 0008885
5.7992 15.1256 6.1844 90 116.426 90 Ia
atom       x     y      z  Uiso
Ca        .5 .3273    .25 .0040
P     -.0095 .3228  .7280 .0005
OD1   -.0093 .3680 -.0356 .0038
O2     .2556 .2819  .8213 .0027
O3    -.0642 .3934  .5413 .0036
O4     .7791 .2532  .6352 .0015
OD2O1  .3675 .4258  .4857 .0043
OD2O2  .5255 .4464  .0133 .0089
D1    -.0979 .3302  .0342 .0176
D2     .3840 .4893  .4917 .0143
D3     .2061 .4121  .4860 .0158
D4     .5122 .5108  .0162 .0230
D5     .5007 .4330  .8548 .0258
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Brushite
Download hom/brushite.pdf
Schofield P F, Knight K S, van der Houwen J A M, Valsami-Jones E
 
Physics and Chemistry of Minerals 31 (2004) 606-624
The role of hydrogen bonding in the thermal expansion and dehydration
of brushite, di-calcium phosphate dihydrate
Sample: T = 60 K
_database_code_amcsd 0008886
5.7994 15.1250 6.1850 90 116.426 90 Ia
atom       x     y      z  Uiso
Ca        .5 .3275    .25 .0047
P     -.0085 .3227  .7288 .0003
OD1   -.0088 .3681 -.0348 .0038
O2     .2559 .2817  .8222 .0029
O3    -.0633 .3933  .5420 .0040
O4     .7802 .2530  .6359 .0016
OD2O1  .3678 .4256  .4860 .0040
OD2O2  .5264 .4465  .0140 .0094
D1    -.0967 .3303  .0349 .0177
D2     .3853 .4892  .4917 .0146
D3     .2065 .4120  .4862 .0163
D4     .5127 .5108  .0168 .0231
D5     .5013 .4331  .8550 .0255
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Brushite
Download hom/brushite.pdf
Schofield P F, Knight K S, van der Houwen J A M, Valsami-Jones E
 
Physics and Chemistry of Minerals 31 (2004) 606-624
The role of hydrogen bonding in the thermal expansion and dehydration
of brushite, di-calcium phosphate dihydrate
Sample: T = 70 K
_database_code_amcsd 0008887
5.7997 15.1257 6.1857 90 116.425 90 Ia
atom       x     y      z  Uiso
Ca        .5 .3273    .25 .0043
P     -.0088 .3227  .7283 .0007
OD1   -.0096 .3680 -.0357 .0042
O2     .2558 .2817  .8212 .0029
O3    -.0636 .3933  .5411 .0041
O4     .7797 .2530  .6350 .0018
OD2O1  .3671 .4258  .4855 .0044
OD2O2  .5252 .4464 .01287 .0094
D1    -.0971 .3302  .0342 .0177
D2     .3849 .4894  .4913 .0147
D3     .2064 .4119  .4855 .0168
D4     .5121 .5109  .0161 .0231
D5     .5009 .4329  .8539 .0268
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Brushite
Download hom/brushite.pdf
Schofield P F, Knight K S, van der Houwen J A M, Valsami-Jones E
 
Physics and Chemistry of Minerals 31 (2004) 606-624
The role of hydrogen bonding in the thermal expansion and dehydration
of brushite, di-calcium phosphate dihydrate
Sample: T = 80 K
_database_code_amcsd 0008888
5.8000 15.1256 6.1866 90 116.422 90 Ia
atom       x     y      z  Uiso
Ca        .5 .3274    .25 .0044
P     -.0089 .3227  .7285 .0005
OD1   -.0098 .3678 -.0355 .0045
O2     .2556 .2819  .8214 .0033
O3    -.0637 .3934  .5412 .0045
O4     .7799 .2531  .6358 .0018
OD2O1  .3674 .4258  .4861 .0046
OD2O2  .5256 .4463  .0132 .0105
D1    -.0974 .3301  .0343 .0175
D2     .3843 .4891  .4915 .0147
D3     .2061 .4118  .4856 .0167
D4     .5117 .5109  .0156 .0252
D5     .5007 .4332  .8549 .0272
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Brushite
Download hom/brushite.pdf
Schofield P F, Knight K S, van der Houwen J A M, Valsami-Jones E
 
Physics and Chemistry of Minerals 31 (2004) 606-624
The role of hydrogen bonding in the thermal expansion and dehydration
of brushite, di-calcium phosphate dihydrate
Sample: T = 90 K
_database_code_amcsd 0008889
5.8003 15.1259 6.1873 90 116.422 90 Ia
atom       x     y      z  Uiso
Ca        .5 .3274    .25 .0047
P     -.0101 .3227  .7272 .0004
OD1   -.0103 .3679 -.0364 .0051
O2     .2556 .2819  .8210 .0033
O3    -.0643 .3934  .5407 .0046
O4     .7787 .2530  .6348 .0021
OD2O1  .3666 .4256  .4852 .0050
OD2O2  .5255 .4463  .0131 .0104
D1    -.0979 .3302  .0337 .0180
D2     .3841 .4893  .4912 .0154
D3     .2054 .4122  .4850 .0172
D4     .5107 .5107  .0156 .0246
D5     .5003 .4328  .8540 .0280
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Brushite
Download hom/brushite.pdf
Schofield P F, Knight K S, van der Houwen J A M, Valsami-Jones E
 
Physics and Chemistry of Minerals 31 (2004) 606-624
The role of hydrogen bonding in the thermal expansion and dehydration
of brushite, di-calcium phosphate dihydrate
Sample: T = 100 K
_database_code_amcsd 0008890
5.8007 15.1267 6.1887 90 116.419 90 Ia
atom       x     y      z  Uiso
Ca        .5 .3276    .25 .0049
P     -.0098 .3225  .7284 .0006
OD1   -.0098 .3679 -.0357 .0052
O2     .2554 .2819  .8214 .0035
O3    -.0636 .3933  .5413 .0045
O4     .7789 .2531  .6347 .0023
OD2O1  .3668 .4256  .4854 .0048
OD2O2  .5261 .4461  .0138 .0116
D1    -.0977 .3302  .0344 .0180
D2     .3845 .4894  .4912 .0153
D3     .2062 .4119  .4856 .0171
D4     .5125 .5104  .0168 .0247
D5     .5009 .4330  .8551 .0287
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Brushite
Download hom/brushite.pdf
Schofield P F, Knight K S, van der Houwen J A M, Valsami-Jones E
 
Physics and Chemistry of Minerals 31 (2004) 606-624
The role of hydrogen bonding in the thermal expansion and dehydration
of brushite, di-calcium phosphate dihydrate
Sample: T = 125 K
_database_code_amcsd 0008891
5.8016 15.1284 6.1916 90 116.418 90 Ia
atom        x     y      z  Uiso
Ca         .5 .3272    .25 .0051
P      -.0097 .3225  .7280 .0008
OD1    -.0102 .3678 -.0366 .0053
O2      .2554 .2819  .8217 .0038
O3    -.06324 .3933  .5409 .0060
O4      .7795 .2529  .6342 .0026
OD2O1   .3665 .4256  .4852 .0059
OD2O2   .5259 .4461  .0138 .0135
D1     -.0982 .3305  .0338 .0184
D2      .3839 .4891  .4905 .0164
D3      .2058 .4116  .4846 .0183
D4      .5119 .5106  .0171 .0254
D5      .5000 .4331  .8548 .0303
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Brushite
Download hom/brushite.pdf
Schofield P F, Knight K S, van der Houwen J A M, Valsami-Jones E
 
Physics and Chemistry of Minerals 31 (2004) 606-624
The role of hydrogen bonding in the thermal expansion and dehydration
of brushite, di-calcium phosphate dihydrate
Sample: T = 150 K
_database_code_amcsd 0008892
5.8026 15.1314 6.1956 90 116.416 90 Ia
atom        x     y      z  Uiso
Ca         .5 .3275    .25 .0055
P      -.0102 .3225  .7280 .0011
OD1    -.0110 .3679 -.0368 .0057
O2      .2545 .2818  .8216 .0047
O3    -.06319 .3934  .5413 .0060
O4      .7780 .2528  .6346 .0027
OD2O1   .3653 .4255  .4848 .0075
OD2O2   .5247 .4460  .0134 .0147
D1     -.0992 .3303  .0332 .0192
D2      .3829 .4892  .4901 .0166
D3      .2053 .4117  .4843 .0197
D4      .5112 .5106  .0171 .0281
D5      .5006 .4332  .8561 .0334
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Brushite
Download hom/brushite.pdf
Schofield P F, Knight K S, van der Houwen J A M, Valsami-Jones E
 
Physics and Chemistry of Minerals 31 (2004) 606-624
The role of hydrogen bonding in the thermal expansion and dehydration
of brushite, di-calcium phosphate dihydrate
Sample: T = 175 K
_database_code_amcsd 0008893
5.8040 15.1361 6.2006 90 116.414 90 Ia
atom       x     y      z  Uiso
Ca        .5 .3285    .25 .0061
P     -.0096 .3226  .7284 .0011
OD1   -.0103 .3678 -.0371 .0066
O2     .2552 .2818  .8221 .0053
O3    -.0622 .3934  .5412 .0063
O4     .7786 .2530  .6349 .0033
OD2O1  .3653 .4256  .4841 .0088
OD2O2  .5263 .4458  .0149 .0158
D1    -.0977 .3303  .0339 .0195
D2     .3850 .4890  .4918 .0169
D3     .2061 .4118  .4845 .0212
D4     .5140 .5105  .0181 .0302
D5     .5024 .4328  .8584 .0350
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Brushite
Download hom/brushite.pdf
Schofield P F, Knight K S, van der Houwen J A M, Valsami-Jones E
 
Physics and Chemistry of Minerals 31 (2004) 606-624
The role of hydrogen bonding in the thermal expansion and dehydration
of brushite, di-calcium phosphate dihydrate
Sample: T = 200 K
_database_code_amcsd 0008894
5.8053 15.1420 6.2060 90 116.413 90 Ia
atom       x     y      z  Uiso
Ca        .5 .3274    .25 .0068
P     -.0104 .3223  .7268 .0011
OD1   -.0102 .3675 -.0380 .0071
O2     .2546 .2818  .8210 .0063
O3    -.0621 .3933  .5407 .0076
O4     .7785 .2529  .6338 .0041
OD2O1  .3656 .4256  .4827 .0105
OD2O2  .5269 .4456  .0153 .0181
D1    -.0985 .3300  .0322 .0201
D2     .3837 .4891  .4902 .0183
D3     .2067 .4117  .4832 .0227
D4     .5154 .5103  .0171 .0329
D5     .5032 .4329  .8576 .0393
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Brushite
Download hom/brushite.pdf
Schofield P F, Knight K S, van der Houwen J A M, Valsami-Jones E
 
Physics and Chemistry of Minerals 31 (2004) 606-624
The role of hydrogen bonding in the thermal expansion and dehydration
of brushite, di-calcium phosphate dihydrate
Sample: T = 225 K
_database_code_amcsd 0008895
5.8062 15.1482 6.2118 90 116.410 90 Ia
atom       x     y      z  Uiso
Ca        .5 .3274    .25 .0072
P     -.0096 .3223  .7283 .0011
OD1   -.0102 .3674 -.0379 .0082
O2     .2553 .2818  .8229 .0068
O3    -.0610 .3932  .5417 .0086
O4     .7782 .2531  .6343 .0047
OD2O1  .3650 .4257  .4826 .0121
OD2O2  .5267 .4461  .0163 .0194
D1    -.0981 .3299  .0333 .0219
D2     .3837 .4888  .4912 .0195
D3     .2057 .4118  .4823 .0231
D4     .5149 .5105  .0191 .0359
D5     .5038 .4331  .8608 .0427
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Brushite
Download hom/brushite.pdf
Schofield P F, Knight K S, van der Houwen J A M, Valsami-Jones E
 
Physics and Chemistry of Minerals 31 (2004) 606-624
The role of hydrogen bonding in the thermal expansion and dehydration
of brushite, di-calcium phosphate dihydrate
Sample: T = 250 K
_database_code_amcsd 0008896
5.8077 15.1563 6.2186 90 116.408 90 Ia
atom       x     y      z  Uiso
Ca        .5 .3276    .25 .0079
P     -.0098 .3220  .7281 .0013
OD1   -.0108 .3672 -.0384 .0089
O2     .2556 .2821  .8222 .0085
O3    -.0606 .3931  .5407 .0087
O4     .7777 .2529  .6341 .0051
OD2O1  .3654 .4259  .4824 .0148
OD2O2  .5290 .4455  .0182 .0215
D1    -.0981 .3300  .0335 .0236
D2     .3845 .4891  .4907 .0201
D3     .2067 .4119  .4816 .0262
D4     .5186 .5102  .0203 .0409
D5     .5055 .4332  .8630 .0473
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Brushite
Download hom/brushite.pdf
Schofield P F, Knight K S, van der Houwen J A M, Valsami-Jones E
 
Physics and Chemistry of Minerals 31 (2004) 606-624
The role of hydrogen bonding in the thermal expansion and dehydration
of brushite, di-calcium phosphate dihydrate
Sample: T = 275 K
_database_code_amcsd 0008897
5.8091 15.1656 6.2259 90 116.407 90 Ia
atom       x     y      z  Uiso
Ca        .5 .3274    .25 .0082
P     -.0082 .3220  .7292 .0015
OD1   -.0105 .3669 -.0391 .0102
O2     .2566 .2817  .8229 .0093
O3    -.0594 .3927  .5413 .0098
O4     .7778 .2532  .6339 .0060
OD2O1  .3655 .4260  .4812 .0154
OD2O2  .5288 .4457  .0191 .0244
D1    -.0982 .3299  .0332 .0249
D2     .3826 .4890  .4899 .0207
D3     .2054 .4119  .4794 .0269
D4     .5188 .5103  .0211 .0462
D5     .5070 .4335  .8655 .0509
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Brushite
Download hom/brushite.pdf
Schofield P F, Knight K S, van der Houwen J A M, Valsami-Jones E
 
Physics and Chemistry of Minerals 31 (2004) 606-624
The role of hydrogen bonding in the thermal expansion and dehydration
of brushite, di-calcium phosphate dihydrate
Sample: T = 300 K
_database_code_amcsd 0008898
5.8105 15.1758 6.2337 90 116.405 90 Ia
atom       x     y      z  Uiso
Ca        .5 .3275    .25 .0085
P     -.0076 .3222  .7293 .0017
OD1   -.0102 .3665 -.0386 .0109
O2     .2565 .2819  .8236 .0108
O3    -.0589 .3928  .5415 .0105
O4     .7781 .2531  .6349 .0065
OD2O1  .3658 .4260  .4818 .0185
OD2O2  .5293 .4457  .0208 .0256
D1    -.0990 .3300  .0329 .0270
D2     .3827 .4886  .4883 .0236
D3     .2056 .4119  .4781 .0284
D4     .5216 .5099  .0219 .0524
D5     .5085 .4338  .8677 .0551
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Brushite
Download hom/brushite.pdf
Schofield P F, Knight K S, van der Houwen J A M, Valsami-Jones E
 
Physics and Chemistry of Minerals 31 (2004) 606-624
The role of hydrogen bonding in the thermal expansion and dehydration
of brushite, di-calcium phosphate dihydrate
Sample: T = 325 K
_database_code_amcsd 0008899
5.8119 15.1867 6.2416 90 116.405 90 Ia
atom       x     y      z  Uiso
Ca        .5 .3273    .25 .0081
P     -.0084 .3227  .7291 .0022
OD1   -.0118 .3666 -.0397 .0116
O2     .2551 .2818  .8228 .0114
O3    -.0583 .3925  .5405 .0120
O4     .7774 .2535  .6340 .0071
OD2O1  .3640 .4264  .4817 .0203
OD2O2  .5301 .4462  .0217 .0271
D1    -.1003 .3300  .0315 .0297
D2     .3813 .4886  .4870 .0259
D3     .2047 .4123  .4772 .0293
D4     .5190 .5096  .0203 .0641
D5     .5072 .4343  .8683 .0611
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View JMOL 3-D Structure (permalink)
 
Brushite
Download hom/brushite.pdf
Schofield P F, Knight K S, van der Houwen J A M, Valsami-Jones E
 
Physics and Chemistry of Minerals 31 (2004) 606-624
The role of hydrogen bonding in the thermal expansion and dehydration
of brushite, di-calcium phosphate dihydrate
Sample: T = 350 K
_database_code_amcsd 0008900
5.8132 15.1973 6.2497 90 116.406 90 Ia
atom       x     y      z  Uiso
Ca        .5 .3271    .25 .0093
P     -.0073 .3224  .7286 .0023
OD1   -.0113 .3666 -.0404 .0120
O2     .2552 .2821  .8222 .0129
O3    -.0578 .3922  .5409 .0124
O4     .7783 .2534  .6335 .0073
OD2O1  .3640 .4259  .4805 .0229
OD2O2  .5314 .4459  .0228 .0316
D1    -.1002 .3308  .0308 .0312
D2     .3809 .4886  .4841 .0266
D3     .2050 .4125  .4766 .0291
D4     .5233 .5090  .0199 .0736
D5     .5070 .4343  .8688 .0675
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Brushite
Download hom/brushite.pdf
Schofield P F, Knight K S, van der Houwen J A M, Valsami-Jones E
 
Physics and Chemistry of Minerals 31 (2004) 606-624
The role of hydrogen bonding in the thermal expansion and dehydration
of brushite, di-calcium phosphate dihydrate
Sample: T = 375 K
_database_code_amcsd 0008901
5.8145 15.2086 6.2580 90 116.408 90 Ia
atom       x     y      z  Uiso
Ca        .5 .3267    .25 .0101
P     -.0053 .3226  .7292 .0031
OD1   -.0107 .3667 -.0420 .0126
O2     .2551 .2817  .8220 .0147
O3    -.0561 .3917  .5404 .0125
O4     .7797 .2538  .6334 .0078
OD2O1  .3631 .4261  .4791 .0232
OD2O2  .5326 .4464  .0232 .0361
D1    -.0992 .3316  .0307 .0315
D2     .3803 .4886  .4821 .0280
D3     .2046 .4120  .4743 .0290
D4     .5260 .5080  .0217 .0836
D5     .5077 .4348  .8702 .0709
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Brushite
Download hom/brushite.pdf
Schofield P F, Knight K S, van der Houwen J A M, Valsami-Jones E
 
Physics and Chemistry of Minerals 31 (2004) 606-624
The role of hydrogen bonding in the thermal expansion and dehydration
of brushite, di-calcium phosphate dihydrate
Sample: T = 400 K
_database_code_amcsd 0008902
5.8151 15.2179 6.2664 90 116.413 90 Ia
atom       x     y      z  Uiso
Ca        .5 .3268    .25 .0110
P     -.0032 .3231  .7292 .0030
OD1   -.0109 .3671 -.0436 .0132
O2     .2570 .2812  .8216 .0166
O3    -.0559 .3914  .5398 .0133
O4     .7810 .2538  .6339 .0065
OD2O1  .3620 .4260  .4775 .0287
OD2O2  .5358 .4457  .0259 .0403
D1    -.1002 .3315  .0295 .0340
D2     .3802 .4879  .4810 .0340
D3     .2042 .4119  .4744 .0330
D4     .5305 .5074  .0236 .0946
D5     .5087 .4357  .8732 .0790
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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Total number of retrieved datasets: 23
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