data_global
_chemical_name_mineral 'Jouravskite'
loop_
_publ_author_name
'Granger M M'
'Protas J'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 25 
_journal_year 1969
_journal_page_first 1943
_journal_page_last 1951
_publ_section_title
;
 Determination et etude de la structure cristalline
 de la jouravskite Ca3MnIV(SO4)(CO3)(OH)*12(H2O)
;
_database_code_amcsd 0009362
_chemical_compound_source 'Tachgagalt mine, Morocco'
_chemical_formula_sum 'Ca3 Mn S C O25 H30'
_cell_length_a 11.06
_cell_length_b 11.06
_cell_length_c 10.50
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1112.321
_exptl_crystal_density_diffrn      1.939
_symmetry_space_group_name_H-M 'P 63'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x-y,x,1/2+z'
  '-y,x-y,z'
  '-x,-y,1/2+z'
  '-x+y,-x,z'
  'y,-x+y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ca   0.00240   0.20490   0.79360   0.01862
Mn   0.00000   0.00000   0.04350   0.01560
S   0.33333   0.66667   0.53450   0.01305
C   0.33333   0.66667   0.00000   0.05636
O1   0.33333   0.66667   0.38670   0.09030
O2   0.19630   0.62890   0.00000   0.02850
O3   0.19370   0.58810   0.57530   0.04914
O-H4   0.00450   0.13560   0.43190   0.01811
O-H5   0.13560   0.13550   0.64790   0.02634
Wat6   0.01790   0.34520   0.98340   0.03318
Wat7  -0.01410   0.33270   0.61480   0.02254
Wat8   0.25310   0.40370   0.78090   0.03179
Wat9   0.39870   0.23960   0.78970   0.03534