Hielscherite
Pekov I V, Chukanov N V, Britvin S N, Kabalov Y K, Gottlicher J, Yapaskurt V O,
Zadov A E, Krivovichev S V, Schuller W, Ternes B
Mineralogical Magazine 76 (2012) 1133-1152
The sulfite anion in ettringite-group minerals: a new mineral species
hielscherite, Ca3Si(OH)6(SO4)(SO3)*11H2O, and the thaumasite-hielscherite
solid-solution series
Note: sample G-3231, single crystal
Locality: Graulay basalt quarry, Hillesheim, Eifel Mountains, Germany
_database_code_amcsd 0019544
11.106 11.106 10.492 90 90 120 P6_3
atom x y z occ Biso
Ca .8058 .7950 .1378 2.07
Si 0 0 .3900 1.4
O1 .877 .998 .9943 2.0
O2 .0116 .8735 .2867 2.8
O3 .6710 .6638 .9581 2.8
O4 .7710 .6093 .640 4.0
O5 .8574 .5983 .1417 3.3
O6 .6695 .6497 .317 4.0
S6+1 1/3 2/3 .3742 2.3
OS1A 1/3 2/3 .237 4.0
OS1B .4307 .6228 .421 4.5
S4+2 1/3 2/3 .8956 4.5
O(C,S2) .372 .8042 .8503 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 (permalink )
Hielscherite
Pekov I V, Chukanov N V, Britvin S N, Kabalov Y K, Gottlicher J, Yapaskurt V O,
Zadov A E, Krivovichev S V, Schuller W, Ternes B
Mineralogical Magazine 76 (2012) 1133-1152
The sulfite anion in ettringite-group minerals: a new mineral species
hielscherite, Ca3Si(OH)6(SO4)(SO3)*11H2O, and the thaumasite-hielscherite
solid-solution series
Note: sample G-3049, powder
Locality: Graulay basalt quarry, Hillesheim, Eifel Mountains, Germany
_database_code_amcsd 0019545
11.1178 11.1178 10.5381 90 90 120 P6_3
atom x y z occ Biso
Ca .8059 .7948 .140 1.9
Si 0 0 .385 .7 1.7
Al 0 0 .385 .3 1.7
O1 .869 .995 .9878 1.8
O2 .007 .876 .2796 1.5
O3 .664 .659 .955 4.0
O4 .771 .609 .631 3.5
O5 .858 .5969 .140 3.0
O6 .672 .653 .315 2.2
S6+1 1/3 2/3 .375 .98 2.5
OS1A 1/3 2/3 .231 3
OS1B .426 .620 .421 2
C 1/3 2/3 .85 .39 2
S4+2 1/3 2/3 .914 .59 1
O(C,S2) .370 .802 .849 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 )
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