|
Ferrarisite |
 |
Catti M, Chiari G, Ferraris G |
| |
Bulletin de Mineralogie 103 (1980) 541-546 |
|
The structure of ferrarisite, Ca5(HAsO4)2(AsO4)2*9H2O: |
|
disorder, hydrogen bonding, and polymorphism with guerinite |
|
Locality: Sainte Marie-aux-Mines, Alsace, France |
|
_database_code_amcsd 0012071 |
|
8.294 6.722 11.198 106.16 92.94 99.20 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) |
|
Ca1 .68248 .61888 .92486 .0109 .0112 .0190 .0026 .0032 .0052 |
|
Ca2 .14429 .80632 .92317 .0121 .0112 .0150 .0017 .0033 .0044 |
|
Ca3 0 0 .5 .0211 .0292 .0130 .0049 .0042 .0059 |
|
As1 .52429 .05829 .84251 .0099 .0099 .0137 .0018 .0021 .0047 |
|
As2 .00723 .26663 .83694 .010 .0095 .0119 .0017 .0032 .0042 |
|
O1 .4977 .2986 .9207 .0138 .0093 .0253 .0050 .0070 .0055 |
|
O2 .6562 -.0360 .9197 .0152 .0133 .0203 .0048 -.0019 .0085 |
|
O3 .3459 -.1116 .7934 .0115 .0160 .0182 -.0008 .0013 .0041 |
|
Oh4 .5964 .0666 .7006 .0145 .0354 .0169 .0010 .0033 .0105 |
|
O5 .1501 .4493 .8080 .0198 .0133 .0218 -.0002 .0083 .0061 |
|
O6 .0847 .1522 .9389 .0127 .0121 .0153 .0060 .0002 .0064 |
|
O7 -.1465 .3721 .9066 .0143 .0154 .020 .0080 .0066 .0063 |
|
O8 -.0725 .0764 .7029 .0212 .0172 .0119 .0004 .0026 .0023 |
|
Ow1 .4747 .5309 .7443 .0226 .0190 .0293 .0024 .0014 .0087 |
|
Ow2 .8929 .7139 .7724 .0278 .0155 .0237 .0044 .0013 .0082 |
|
Ow3 .1105 .3627 .5552 .064 .046 .033 -.017 .001 .014 |
|
Ow4 .2554 -.0531 .5718 .041 .132 .032 .043 .004 .028 |
|
Wat5 .6911 .4288 .5697 .5 .057 .019 .03 .002 .03 .006 |
|
HOh4 .69 .081 .712 .038 |
|
Hw1 .381 .471 .777 .038 |
|
Hw21 .901 .843 .747 .038 |
|
Hw22 .876 .596 .706 .038 |
|
Hw31 .212 .447 .514 .038 |
|
Hw32 .133 .429 .647 .038 |
|
Hw4 .253 -.068 .657 .038 |
|
|
| 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: 