data_global
_chemical_name_mineral 'Fluckite'
loop_
_publ_author_name
'Catti M'
'Chiari G'
'Ferraris G'
_journal_name_full 'Bulletin de Mineralogie'
_journal_volume 103 
_journal_year 1980
_journal_page_first 129
_journal_page_last 134
_publ_section_title
;
 Fluckite, CaMn(HAsO4)2*2H2O, a structure related
 by pseudo-polytypism to krautite MnHAsO4*H2O
;
_database_code_amcsd 0012068
_chemical_compound_source 'Sainte Marie-aux-Mines, Alsace, France'
_chemical_formula_sum 'Ca Mn As2 O10 H6'
_cell_length_a 8.459
_cell_length_b 7.613
_cell_length_c 6.968
_cell_angle_alpha 82.21
_cell_angle_beta 98.25
_cell_angle_gamma 95.86
_cell_volume 438.420
_exptl_crystal_density_diffrn      3.113
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,y,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
Ca   0.17110   0.10250   0.87330 ?
Mn   0.57640   0.15250   0.33860 ?
As1   0.18007   0.13538   0.36460 ?
As2   0.57539   0.22993   0.83841 ?
O-h1   0.05630   0.28820   0.41340 ?
O2   0.08670   0.03340   0.18010 ?
O3   0.20480  -0.00120   0.57420 ?
O4   0.34360   0.26230   0.30490 ?
O5   0.39770   0.30300   0.84620 ?
O6   0.65160   0.12840   0.05580 ?
O7   0.57100   0.09980   0.66230 ?
O-h8   0.71220   0.40630   0.77500 ?
Ow1   0.05020   0.37200   0.85790 ?
Ow2   0.70840   0.40910   0.36210 ?
HOh1  -0.02300   0.24700   0.42400   0.06333
HOh8   0.67000   0.48100   0.78000   0.02533
Hw11   0.06600   0.43300   0.76000   0.15198
Hw12  -0.02100   0.40900   0.87900   0.06333
Hw21   0.72800   0.41800   0.46100 ?
Hw22   0.66700   0.48900   0.29900   0.07599
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
Ca 0.00990 0.01160 0.01270 -0.00220 0.00350 0.00070
Mn 0.01330 0.01390 0.01520 0.00060 0.00290 0.00100
As1 0.01040 0.00970 0.00970 0.00180 0.00120 0.00190
As2 0.01040 0.00740 0.01080 0.00000 0.00060 0.00230
O-h1 0.02000 0.01800 0.04700 0.00000 0.01300 -0.00500
O2 0.01600 0.02200 0.01200 -0.00900 0.00100 -0.00200
O3 0.01300 0.01800 0.01200 0.00200 0.00300 0.00600
O4 0.01500 0.01400 0.02400 -0.00200 0.00500 0.00500
O5 0.01300 0.01100 0.02400 0.00400 0.00800 0.00300
O6 0.02000 0.01800 0.01100 0.00600 -0.00200 0.00100
O7 0.01800 0.01000 0.01400 -0.00100 0.00600 0.00100
O-h8 0.01400 0.01100 0.04200 -0.00100 0.00800 0.00100
Ow1 0.02200 0.02100 0.05700 0.00700 0.01800 0.01100
Ow2 0.02900 0.02300 0.01800 0.00100 0.00400 0.00400