#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/9/9009715.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_9009715
_chemical_name 'Langite'
loop_
_publ_author_name
'Galy J'
'Jaud J'
'Pulou R'
'Sempere R'
_journal_name_full "Bulletin de Mineralogie"
_journal_volume 107
_journal_year 1984
_journal_page_first 641
_journal_page_last 648
_publ_section_title
;
 Structure cristalline de la langite, Cu4[SO4(OH)6H2O]*H2O
 Locality: Mazega, Aveyrone, France
;
_chemical_formula_sum 'Cu4 S O12 H10'
_cell_length_a 7.118
_cell_length_b 6.034
_cell_length_c 11.209
_cell_angle_alpha 90
_cell_angle_beta 90.02
_cell_angle_gamma 90
_cell_volume 481.427
_symmetry_space_group_name_H-M 'P 1 c 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu1  -0.00700   0.49730   0.00220
Cu2   0.00000  -0.00810   0.00000
Cu3  -0.01570   0.24590   0.25040
Cu4  -0.00960   0.74490   0.24900
S   0.41860   0.68230   0.08230
O-H1   0.13900   0.24500   0.05920
Wat2  -0.26700  -0.75900  -0.09580
O-H3   0.11200   0.49700  -0.16130
O-H4  -0.14300  -0.25500  -0.05630
O5   0.21500   0.73200   0.09130
O-H6  -0.12600  -0.50400   0.16350
O-H7  -0.11900  -0.00900   0.15920
O-H8   0.11100   0.00600  -0.16320
O9   0.51900   0.89300   0.07900
O10   0.48000   0.55100   0.18610
O11   0.45700   0.56200  -0.02910
Wat12   0.47900   0.08100   0.30160