data_global
_chemical_name_mineral 'Pascoite'
loop_
_publ_author_name
'Hughes J M'
'Schindler M'
'Francis C A'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 43 
_journal_year 2005
_journal_page_first 1379
_journal_page_last 1386
_publ_section_title
;
 The C2/m disordered structure of pascoite, Ca3[V10O28]*17H2O:
 Bonding between structural units and interstitial complexes
 in compounds containing the [V10O28]6- decavanadanate polyanion
;
_database_code_amcsd 0006048
_chemical_compound_source 'Minasragra, Peru'
_chemical_formula_sum 'Ca3 V10 O45 H34'
_cell_length_a 19.5859
_cell_length_b 10.1405
_cell_length_c 10.9110
_cell_angle_alpha 90
_cell_angle_beta 120.815
_cell_angle_gamma 90
_cell_volume 1861.112
_exptl_crystal_density_diffrn      2.469
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-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
Ca1   0.00000   0.50000   0.50000   1.00000   0.03970
Ca2   0.76544   0.50000   0.90375   1.00000   0.02429
V1   0.50000   0.33651   0.00000   1.00000   0.01878
V2   0.54184   0.50000   0.79952   1.00000   0.01806
V3   0.65968   0.50000   0.12557   1.00000   0.01982
V4   0.38252   0.34975   0.67524   1.00000   0.02917
O1   0.72992   0.50000   0.08820   1.00000   0.02760
O2   0.55118   0.50000   0.14160   1.00000   0.01750
O3   0.41518   0.37824   0.03121   1.00000   0.01850
O4   0.44846   0.23734   0.85724   1.00000   0.02600
O5   0.61929   0.50000   0.78220   1.00000   0.02540
O6   0.48079   0.36781   0.68558   1.00000   0.02360
O7   0.68615   0.63212   0.25285   1.00000   0.02710
O8   0.34433   0.50000   0.56900   1.00000   0.03240
O9   0.34214   0.23330   0.56159   1.00000   0.04520
O10   0.86320   0.50000   0.43890   1.00000   0.07140
O11   0.98710   0.50000   0.27230   1.00000   0.07470
O12A   0.72570   0.64180   0.70950   0.50000   0.04640
O12B   0.71430   0.69700   0.75570   0.50000   0.03560
O13A   0.00000   0.72160   0.50000   0.50000   0.07400
O13B   0.92180   0.70630   0.36430   0.50000   0.06470
O14   0.83935   0.67191   0.06430   1.00000   0.04680
O15   0.88240   0.50000   0.88800   1.00000   0.07520
H10   0.87360   0.44000   0.40000   1.00000   0.05000
H11   0.95720   0.55400   0.21800   1.00000   0.05000
H12A   0.75030   0.71200   0.73900   1.00000   0.05000
H12B   0.69260   0.67360   0.71400   1.00000   0.05000
H13A   0.96080   0.73700   0.44000   1.00000   0.05000
H13B   0.87520   0.74000   0.32340   0.50000   0.05000
H14A   0.86720   0.72800   0.06300   1.00000   0.05000
H14B   0.83300   0.68900   0.12400   1.00000   0.05000
H15   0.90650   0.56200   0.88600   1.00000   0.05000