#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009517.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_9009517
_chemical_name 'Turquoise'
loop_
_publ_author_name
'Kolitsch U'
'Giester G'
_journal_name_full "Mineralogical Magazine"
_journal_volume 64
_journal_year 2000
_journal_page_first 905
_journal_page_last 913
_publ_section_title
;
 The crystal structure of faustite and its copper analogue turquoise
 Locality: Iron Monarch iron ore deposit, South Australia
;
_chemical_formula_sum 'Cu.452 Al3 P2 O14 H8'
_cell_length_a 7.410
_cell_length_b 7.633
_cell_length_c 9.904
_cell_angle_alpha 68.42
_cell_angle_beta 69.65
_cell_angle_gamma 65.05
_cell_volume 459.808
_symmetry_space_group_name_H-M 'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_Uiso_or_equiv
Cu   0.00000   0.00000   0.00000   0.87400   0.00875
Al1   0.28321   0.17672   0.75262   1.00000   0.00739
Al2   0.75315   0.18560   0.27287   1.00000   0.00683
Al3   0.24489   0.50221   0.24459   1.00000   0.00571
P1   0.35046   0.38634   0.94324   1.00000   0.00608
P2   0.84272   0.38707   0.45631   1.00000   0.00540
O1   0.06800   0.36290   0.38468   1.00000   0.00890
O2   0.80450   0.34485   0.62581   1.00000   0.00780
O3   0.27670   0.35580   0.11311   1.00000   0.00840
O4   0.06320   0.06610   0.19825   1.00000   0.01300
O5   0.23770   0.07320   0.62792   1.00000   0.00810
O6   0.73550   0.08280   0.12361   1.00000   0.00750
O7   0.29620   0.40354   0.60706   1.00000   0.00890
O8   0.32530   0.22300   0.90554   1.00000   0.01010
O9   0.98630   0.28070   0.84408   1.00000   0.00880
O10   0.57410   0.04940   0.68631   1.00000   0.01130
O11   0.78480   0.40900   0.13125   1.00000   0.00930
O12   0.46490   0.29400   0.32633   1.00000   0.00800
O13   0.78830   0.22916   0.43134   1.00000   0.00800
O14   0.57710   0.36620   0.89794   1.00000   0.00820
H1   0.12800  -0.02800   0.22400   1.00000   0.03200
H2   0.11600   0.13200   0.17600   1.00000   0.04000
H3   0.62800   0.11700   0.60900   1.00000   0.04000
H4   0.60800  -0.05700   0.67900   1.00000   0.03500
H5   0.20400   0.12900   0.57300   1.00000   0.02300
H6   0.69100   0.14300   0.07400   1.00000   0.01800
H7   0.98700   0.31800   0.88900   1.00000   0.02900
H8   0.44800   0.28700   0.39700   1.00000   0.02100
Cu   0.50000   0.00000   0.50000   0.03000   0.02000