data_9004518
_chemical_name 'Wooldridgeite'
loop_
_publ_author_name
'Cooper M A'
'Hawthorne F C'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 37
_journal_year 1999
_journal_page_first 73
_journal_page_last 81
_publ_section_title
;
 The crystal structure of wooldridgeite, Na2CaCu2(P2O7)2(H2O)10,
 a novel copper pyrophosphate mineral
;
_chemical_formula_sum 'Ca Na2 Cu2 P4 O24 H20'
_cell_length_a 11.938
_cell_length_b 32.854
_cell_length_c 11.017
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 4320.989
_symmetry_space_group_name_H-M 'F d d 2'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/4+x,1/4-y,1/4+z'
  '1/4+x,3/4-y,3/4+z'
  '3/4+x,1/4-y,3/4+z'
  '3/4+x,3/4-y,1/4+z'
  '1/4-x,1/4+y,1/4+z'
  '1/4-x,3/4+y,3/4+z'
  '3/4-x,1/4+y,3/4+z'
  '3/4-x,3/4+y,1/4+z'
  '-x,1/2-y,1/2+z'
  '-x,-y,+z'
  '1/2-x,1/2-y,+z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Ca   0.00000   0.00000   0.00000   0.01500
Na   0.21430   0.09740   0.09590   0.04900
Cu   0.12010   0.13964   0.60000   0.01900
P1   0.04570   0.18110   0.35600   0.01800
P2   0.14130   0.07050   0.80090   0.01700
O1   0.19860   0.04700   0.68500   0.01800
O2   0.08700   0.21280   0.26800   0.02100
O3   0.13740   0.16870   0.44500   0.02700
O4   0.24010   0.10450   0.54400   0.03100
O5   0.09160   0.10960   0.75100   0.02700
O6   0.23550   0.07810   0.89300   0.02800
O7   0.05550   0.04120   0.84700   0.02200
Wat1   0.08400   0.04370   0.15800   0.02400
Wat2   0.04200   0.13880   0.04600   0.05000
Wat3   0.12900   0.21190   0.92400   0.04400
Wat4   0.23000   0.18690   0.71000   0.07200
Wat5   0.15620   0.01250   0.37600   0.03500