data_global
_chemical_name_mineral 'Rapidcreekite'
loop_
_publ_author_name
'Cooper M A'
'Hawthorne F C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 34 
_journal_year 1996
_journal_page_first 99
_journal_page_last 106
_publ_section_title
;
 The crystal structure of rapidcreekite, Ca2(SO4)(CO3)(H2O)4,
 and its relation to the structure of gypsum
;
_database_code_amcsd 0005481
_chemical_formula_sum 'Ca2 S C O11 H8'
_cell_length_a 15.517
_cell_length_b 19.226
_cell_length_c 6.1646
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1839.084
_exptl_crystal_density_diffrn      2.227
_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
Ca1   0.33410   0.28960   0.20090
Ca2   0.32760   0.05330   0.18830
S   0.16880   0.41930   0.02680
C   0.19140   0.17390   0.43100
O1   0.22470   0.35890   0.05000
O2   0.21370   0.23290   0.35700
O3   0.38980   0.40390   0.34300
O4   0.37120   0.17140   0.07350
O5   0.22860   0.11680   0.38300
O6   0.28100   0.48300   0.48400
O7   0.11810   0.43210   0.22200
Wat1   0.08940   0.23890   0.01300
Wat2   0.04780   0.32360   0.46600
Wat3   0.07460   0.01960   0.39700
Wat4   0.43410   0.09140   0.46900
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 0.01290 0.01060 0.01400 0.00010 0.00050 -0.00050
Ca2 0.01330 0.00980 0.01490 -0.00030 0.00040 -0.00020
S 0.01400 0.00990 0.01430 -0.00200 -0.00130 -0.00210
C 0.01060 0.01130 0.01200 0.00390 -0.00240 -0.00120
O1 0.01800 0.01580 0.02500 0.00800 -0.00690 0.00320
O2 0.01850 0.00900 0.01750 -0.00690 0.00510 0.00020
O3 0.01620 0.01290 0.02460 -0.00270 0.00400 -0.00340
O4 0.01650 0.01180 0.01710 0.00080 -0.00290 -0.00370
O5 0.01840 0.01090 0.02160 0.00070 0.00880 0.00290
O6 0.02350 0.01030 0.01600 0.00230 -0.00630 0.00000
O7 0.02030 0.02020 0.01580 -0.00250 0.00650 0.00010
Wat1 0.01860 0.02310 0.02480 -0.00320 -0.00040 -0.00140
Wat2 0.01810 0.03070 0.02570 -0.00520 -0.00790 0.00460
Wat3 0.01730 0.02110 0.01620 -0.00530 -0.00600 0.00180
Wat4 0.01400 0.02330 0.02260 -0.00160 -0.00250 0.00220