data_global
_chemical_name_mineral 'Wendwilsonite'
loop_
_publ_author_name
'Kolitsch U'
'Fleck M'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 18 
_journal_year 2006
_journal_page_first 471
_journal_page_last 482
_publ_section_title
;
 Third update on compounds with krohnkite-type chains: the crystal structure of
 wendwilsonite [Ca2Mg(AsO4)2*2H2O] and the new triclinic structure types of
 synthetic AgSc(CrO4)2*2H2O and M2Cu(Cr2O7)2*2H2O (M = Rb, Cs)
;
_database_code_amcsd 0007158
_chemical_compound_source 'Schneeberg, Saxony, Germany'
_chemical_formula_sum 'Ca2 (Mg.9 Co.1) As2 O10 H4'
_cell_length_a 5.806
_cell_length_b 12.923
_cell_length_c 5.628
_cell_angle_alpha 90
_cell_angle_beta 107.49
_cell_angle_gamma 90
_cell_volume 402.752
_exptl_crystal_density_diffrn      3.478
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-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_occupancy
_atom_site_U_iso_or_equiv
Ca   0.56210   0.12187   0.23138   1.00000   0.00840
Mg   0.00000   0.00000   0.00000   0.90000   0.00780
Co   0.00000   0.00000   0.00000   0.10000   0.00780
As   0.21621   0.12049   0.56738   1.00000   0.00535
O1  -0.05699   0.17409   0.49760   1.00000   0.01030
O2   0.27852   0.05378   0.83963   1.00000   0.00850
O3   0.23638   0.03655   0.34260   1.00000   0.01000
O4   0.43917   0.20566   0.57470   1.00000   0.01000
Ow5   0.81770   0.13770   0.96490   1.00000   0.00890
H1   0.88100   0.19200   0.98200   1.00000   0.02200
H2   0.74500   0.14200   0.83800   1.00000   0.02600
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 0.00729 0.00893 0.00946 -0.00100 0.00323 -0.00153
Mg 0.00670 0.00870 0.00770 -0.00070 0.00180 -0.00230
Co 0.00670 0.00870 0.00770 -0.00070 0.00180 -0.00230
As 0.00518 0.00578 0.00476 0.00004 0.00103 0.00012
O1 0.00700 0.01040 0.01210 0.00300 0.00080 0.00010
O2 0.00880 0.00950 0.00660 0.00000 0.00170 0.00270
O3 0.01030 0.01110 0.00900 -0.00140 0.00350 -0.00420
O4 0.00980 0.00920 0.01180 -0.00410 0.00430 -0.00150
Ow5 0.01100 0.00770 0.00690 -0.00140 0.00130 0.00030