data_global
_chemical_name_mineral 'Zincroselite'
loop_
_publ_author_name
'Keller P'
'Lissner F'
'Schleid T'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 16 
_journal_year 2004
_journal_page_first 353
_journal_page_last 359
_publ_section_title
;
 The crystal structures of zincroselite and gaitite: Two natural
 polymorphs of Ca2Zn[AsO4]2*2H2O from Tsumeb, Namibia
;
_database_code_amcsd 0007062
_chemical_compound_source 'Tsumeb, Namibia'
_chemical_formula_sum 'Ca2 (Zn.86 Mg.14) As2 O10 H4'
_cell_length_a 5.827
_cell_length_b 12.899
_cell_length_c 5.646
_cell_angle_alpha 90
_cell_angle_beta 107.69
_cell_angle_gamma 90
_cell_volume 404.301
_exptl_crystal_density_diffrn      3.727
_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
CaA   0.56250   0.12160   0.22950   1.00000   0.01110
ZnM   0.00000   0.00000   0.00000   0.86000   0.01420
MgM   0.00000   0.00000   0.00000   0.14000   0.01420
AsX   0.21853   0.12058   0.56501   1.00000   0.00930
O1   0.28430   0.05400   0.83750   1.00000   0.01480
O2   0.23960   0.03580   0.34230   1.00000   0.01270
O3   0.94460   0.17340   0.49520   1.00000   0.01420
O4   0.43940   0.20640   0.56960   1.00000   0.01430
O5   0.81570   0.13930   0.96340   1.00000   0.01300
H1   0.89800   0.19500   0.98600   1.00000   0.01770
H2   0.73100   0.14800   0.84100   1.00000   0.04260
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
CaA 0.00980 0.01200 0.01200 -0.00100 0.00390 -0.00160
ZnM 0.01180 0.01500 0.01500 0.00020 0.00260 -0.00390
MgM 0.01180 0.01500 0.01500 0.00020 0.00260 -0.00390
AsX 0.00890 0.00970 0.00890 0.00010 0.00200 0.00020
O1 0.01120 0.01460 0.01790 0.00350 0.00330 0.00070
O2 0.01200 0.01290 0.01200 0.00040 0.00210 0.00330
O3 0.01420 0.01380 0.01500 -0.00390 0.00520 -0.00020
O4 0.01360 0.01540 0.01420 -0.00170 0.00470 -0.00530
O5 0.01470 0.01220 0.01140 -0.00160 0.00290 0.00080