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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009620.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9009620
_chemical_name 'Stringhamite'
loop_
_publ_author_name
'Hawthorne F C'
_journal_name_full "Tschermaks Mineralogische und Petrographische Mitteilungen"
_journal_volume 34
_journal_year 1985
_journal_page_first 15
_journal_page_last 24
_publ_section_title
;
 The crystal structure of stringhamite
 Locality: Christmas mine, Pinal County, Arizona, USA
;
_chemical_formula_sum 'Ca Cu Si O5 H2'
_cell_length_a 5.030
_cell_length_b 16.1350
_cell_length_c 5.343
_cell_angle_alpha 90
_cell_angle_beta 102.96
_cell_angle_gamma 90
_cell_volume 422.587
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_symmetry_equiv_pos_as_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_Uiso_or_equiv
Ca   0.64960   0.17671   0.34640   0.00890
Cu1   0.00000   0.00000   0.50000   0.00910
Cu2   0.50000   0.00000   0.00000   0.00930
Si   0.98020   0.11123  -0.02900   0.00750
O1   0.89950   0.20580   0.02680   0.01100
O2   0.84610   0.08530   0.67400   0.01300
O3   0.31290   0.10230   0.03830   0.01000
O4   0.84190   0.05410   0.16910   0.00900
O5   0.35250   0.20940   0.62570   0.01400
H5A   0.31900   0.31600   0.22200   0.01000
H5B   0.18400   0.25800   0.08100   0.01000