#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000217.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_9000217
_chemical_name 'Kinoite'
loop_
_publ_author_name
'Laughon R B'
_journal_name_full "American Mineralogist"
_journal_volume 56
_journal_year 1971
_journal_page_first 193
_journal_page_last 200
_publ_section_title
;
 The crystal structure of kinoite
;
_chemical_formula_sum 'Cu2 Ca2 Si3 O12 H4'
_cell_length_a 6.991
_cell_length_b 12.884
_cell_length_c 5.655
_cell_angle_alpha 90
_cell_angle_beta 96.18
_cell_angle_gamma 90
_cell_volume 506.397
_symmetry_space_group_name_H-M 'P 1 21/m 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu1   0.48190   0.25000   0.21790
Cu2   0.48840   0.25000   0.71390
Ca   0.84610   0.10610   0.02690
Si1   0.23370   0.08030   0.45180
Si2   0.94320   0.25000   0.54770
O1   0.81070   0.25000   0.76240
O2   0.08470   0.14850   0.59010
O3   0.43480   0.14750   0.45730
O4   0.83440   0.25000   0.28470
O5   0.15390   0.04980   0.18670
O6   0.72010   0.01890   0.36760
O7   0.50730   0.14750   0.97140
H1   0.40000   0.08000   0.98000
H2   0.62000   0.14000   0.80000