data_9009827
_chemical_name 'Papagoite'
loop_
_publ_author_name
'Groat L A'
'Hawthorne F C'
_journal_name_full "Mineralogy and Petrology"
_journal_volume 37
_journal_year 1987
_journal_page_first 89
_journal_page_last 96
_publ_section_title
;
 Refinement of the structure of papagoite, CaCuAlSi2O6(OH)3
 Locality: Ajo, Pima County, Arizona, USA
 Note: U(1,1)(O3) changed from .0068 to match reported Uiso
;
_chemical_formula_sum 'Ca Cu Al Si2 O9'
_cell_length_a 12.926
_cell_length_b 11.496
_cell_length_c 4.696
_cell_angle_alpha 90
_cell_angle_beta 100.81
_cell_angle_gamma 90
_cell_volume 685.430
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_symmetry_equiv_pos_as_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_Uiso_or_equiv
Ca   0.00000   0.15530   0.50000   0.01100
Cu   0.26873   0.50000   0.44610   0.00770
Al   0.25000   0.25000   0.50000   0.00510
Si   0.38740   0.13238   0.06780   0.00490
O1   0.20050   0.36970   0.22590   0.00860
O2   0.16310   0.12680   0.30730   0.00740
O3   0.42340   0.50000   0.23170   0.00800
O4   0.00000   0.31980   0.00000   0.01100
O5   0.36150   0.22090   0.30580   0.00890
O6   0.40130   0.00000   0.19310   0.01100