data_global
_chemical_name_mineral 'Rapidcreekite'
loop_
_publ_author_name
'Onac B P'
'Effenberger H S'
'Wynn J G'
'Povara I'
_journal_name_full 'American Mineralogist'
_journal_volume 98 
_journal_year 2013
_journal_page_first 1302
_journal_page_last 1309
_publ_section_title
;
 Rapidcreekite in the sulfuric acid weathering environment of Diana Cave, Romania
;
_database_code_amcsd 0019905
_chemical_compound_source 'Diana Cave, Romania'
_chemical_formula_sum 'Ca2 S C O11 H8'
_cell_length_a 15.524
_cell_length_b 19.218
_cell_length_c 6.161
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1838.074
_exptl_crystal_density_diffrn      2.228
_symmetry_space_group_name_H-M 'P c n b'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,-z'
  '-x,1/2-y,z'
  '1/2-x,y,1/2+z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ca1   0.33400   0.28951   0.20090   0.01712
Ca2   0.32754   0.05333   0.18898   0.01655
S   0.16871   0.41931   0.02690   0.01621
C   0.19103   0.17345   0.43370   0.01650
O1   0.22452   0.35836   0.04875   0.02500
O2   0.21343   0.23291   0.35720   0.02040
O3   0.38966   0.40374   0.34196   0.02390
O4   0.37085   0.17133   0.07484   0.01910
O5   0.22870   0.11704   0.38274   0.02430
O6   0.28117   0.48285   0.48411   0.02280
O7   0.11778   0.43255   0.22415   0.02420
OW1   0.08933   0.23878   0.01070   0.02740
OW2   0.04803   0.32244   0.46600   0.02960
OW3   0.07520   0.02078   0.39580   0.02520
OW4   0.43354   0.09068   0.46750   0.02880
H1   0.04140   0.23900   0.03300   0.04500
H2   0.11820   0.24400   0.11600   0.04500
H3   0.00300   0.33370   0.48500   0.04500
H4   0.06230   0.35980   0.40200   0.04500
H5   0.03720   0.01930   0.42700   0.04500
H6   0.09060  -0.01380   0.33800   0.04500
H7   0.49140   0.10120   0.42500   0.04500
H8   0.43700   0.09170   0.55300   0.04500
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ca1 0.01787 0.01618 0.01733 -0.00035 -0.00016 -0.00086
Ca2 0.01821 0.01593 0.01552 0.00052 0.00018 0.00084
S 0.01788 0.01490 0.01584 -0.00009 0.00004 -0.00090
C 0.01750 0.01800 0.01400 -0.00010 -0.00070 0.00000
O1 0.02780 0.02020 0.02680 0.00690 -0.00300 0.00060
O2 0.02350 0.01660 0.02120 -0.00190 0.00300 0.00200
O3 0.02540 0.02290 0.02350 -0.00110 0.00630 -0.00390
O4 0.01930 0.01930 0.01870 -0.00090 -0.00340 0.00040
O5 0.02990 0.01910 0.02390 0.00480 0.00930 0.00120
O6 0.02550 0.01860 0.02430 0.00450 -0.00500 -0.00120
O7 0.02770 0.02320 0.02170 -0.00290 0.00700 -0.00310
OW1 0.02690 0.03180 0.02350 -0.00400 0.00000 0.00070
OW2 0.02430 0.03080 0.03360 0.00040 -0.00490 0.00610
OW3 0.02470 0.02740 0.02360 -0.00060 -0.00040 -0.00410
OW4 0.02500 0.03340 0.02800 -0.00180 -0.00400 0.00300