data_global
_chemical_name_mineral 'Wernerbaurite'
loop_
_publ_author_name
'Kampf A R'
'Hughes J M'
'Marty J'
'Nash B'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 51 
_journal_year 2013
_journal_page_first 297
_journal_page_last 312
_publ_section_title
;
 Wernerbaurite, {[Ca(H2O)7]2(H2O)2(H3O)2}{V10O28}, and schindlerite,
 {[Na2(H2O)10](H3O)4}{V10O28}, the first hydronium-bearing decavanadate minerals
;
_database_code_amcsd 0019898
_chemical_compound_source 'St. Jude mine, San Miguel County, Colorado, U.S.A.'
_chemical_formula_sum 'V5 (Ca.94 Na.04 K.01 Sr.01) O23 H19'
_cell_length_a 9.7212
_cell_length_b 10.2598
_cell_length_c 10.5928
_cell_angle_alpha 89.999
_cell_angle_beta 77.083
_cell_angle_gamma 69.887
_cell_volume 963.552
_exptl_crystal_density_diffrn      2.350
_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_occupancy
_atom_site_U_iso_or_equiv
V1   0.65439   0.03563   0.94782   1.00000   0.01912
V2   0.34785   0.27089   0.09318   1.00000   0.02374
V3   0.51790   0.04014   0.24712   1.00000   0.02206
V4   0.81413   0.80172   0.10355   1.00000   0.02525
V5   0.47686   0.26110   0.79393   1.00000   0.02551
Ca   0.83962   0.26607   0.41299   0.94000   0.02816
Na   0.83962   0.26607   0.41299   0.04000   0.02816
K   0.83962   0.26607   0.41299   0.01000   0.02816
Sr   0.83962   0.26607   0.41299   0.01000   0.02816
O1   0.42630   0.09869   0.93156   1.00000   0.02050
O2   0.55960   0.15842   0.10244   1.00000   0.02170
O3   0.67200   0.89534   0.81782   1.00000   0.02130
O4   0.67550   0.15763   0.84533   1.00000   0.02460
O5   0.71950   0.95556   0.23251   1.00000   0.02540
O6   0.82410   0.95602   0.98196   1.00000   0.02530
O7   0.46640   0.89756   0.31933   1.00000   0.02530
O8   0.27630   0.30383   0.79403   1.00000   0.02800
O9   0.16930   0.29926   0.04793   1.00000   0.02650
O10   0.42410   0.35638   0.95846   1.00000   0.02700
O11   0.46530   0.15390   0.36944   1.00000   0.03140
O12   0.29990   0.38370   0.21480   1.00000   0.03600
O13   0.98350   0.74770   0.12120   1.00000   0.03650
O14   0.52840   0.36600   0.69950   1.00000   0.03790
OW1   0.75480   0.07260   0.46540   1.00000   0.03060
H1a   0.74200   0.03000   1.39800   1.00000   0.03700
H1b   0.67300   0.08800   1.52900   1.00000   0.03700
OW2   0.88850   0.13430   0.20150   1.00000   0.03800
H2a   0.82900   0.09100   1.18500   1.00000   0.04600
H2b   0.97500   0.10000   1.14700   1.00000   0.04600
OW3   0.09580   0.14160   0.38230   1.00000   0.04900
H3a   1.13300   0.06200   1.42000   1.00000   0.05900
H3b   1.15800   0.13700   1.30800   1.00000   0.05900
OW4   0.83630   0.70910   0.42480   1.00000   0.06890
H4a   0.80200  -0.23600   1.50300   1.00000   0.08300
H4b   0.75900  -0.25400   1.38400   1.00000   0.08300
OW5   0.90330   0.41040   0.23960   1.00000   0.04180
H5a   0.98100   0.38000   1.17400   1.00000   0.05000
H5b   0.86300   0.50090   1.24300   1.00000   0.05000
OW6   0.59570   0.36120   0.37170   1.00000   0.04570
H6a   0.52900   0.31800   1.38900   1.00000   0.05500
H6b   0.54000   0.45130   1.37300   1.00000   0.05500
OW7   0.88940   0.20860   0.62830   1.00000   0.05090
H7a   0.95100   0.25100   1.63700   1.00000   0.06100
H7b   0.82600   0.21600   1.70400   1.00000   0.06100
OW8   0.78470   0.48270   0.52490   1.00000   0.06490
H8a   0.76900   0.49400   1.60930   1.00000   0.07800
H8b   0.80900   0.55100   1.48700   1.00000   0.07800
OW9   0.28640   0.64290   0.94720   1.00000   0.05370
H9a   0.34000   0.55400   0.96500   1.00000   0.06400
H9b   0.35300   0.69100   0.93800   1.00000   0.06400
H9c   0.21300   0.68400   1.02500   1.00000   0.06400