#------------------------------------------------------------------------------
#$Date: 2010-04-10 21:37:29 +0300 (Sat, 10 Apr 2010) $
#$Revision: 1071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009514.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9009514
loop_
_publ_author_name
'Burns, P. C.'
'Smith, J. V.'
'Steele, I. M.'
_publ_section_title
;
 Arizona porphyry copper/hydrothermal deposits I.
 The structure of chenevixite and luetheite
 Note: Luetheite-chenevixite series
 Locality: Humboldt mine, Patagonia, Arizona
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              25
_journal_page_last               30
_journal_volume                  64
_journal_year                    2000
_chemical_formula_sum            'Al0.635 As Cu Fe0.365 H2 O6'
_chemical_name_mineral           Luetheite
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb (1/2*x,y,-1/2*x+z)'
_symmetry_space_group_name_H-M   'B 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 89.99
_cell_angle_gamma                90
_cell_length_a                   5.7012
_cell_length_b                   5.1801
_cell_length_c                   29.265
_cell_volume                     864.277
_exptl_crystal_density_diffrn    4.211
_[local]_cod_data_source_file    cifdata.txt
_[local]_cod_data_source_block   'global_11676'
_[local]_cod_chemical_formula_sum_orig 'Cu (Al.635 Fe.365) As O6 H2'
_cod_database_code               9009514
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,y,1/2+z
-x,1/2+y,-z
1/2-x,1/2+y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Cu1 0.86590 0.63300 0.12590 1.00000 0.00920
Cu2 0.36600 0.64600 0.12450 1.00000 0.01000
AlM1 0.12200 0.38480 0.21450 0.70000 0.00740
FeM1 0.12200 0.38480 0.21450 0.30000 0.00740
AlM2 0.62500 0.88600 0.03430 0.57000 0.00840
FeM2 0.62500 0.88600 0.03430 0.43000 0.00840
As1 0.87600 0.68650 0.93850 1.00000 0.00580
As2 0.61760 0.09230 0.18860 1.00000 0.00870
O1 0.85700 0.72500 0.99840 1.00000 0.01110
O2 0.61700 0.02000 0.24210 1.00000 0.02310
O3 0.86500 0.26400 0.17470 1.00000 0.00290
O4 0.15500 0.55300 0.92450 1.00000 0.04740
O5 0.88600 0.99600 0.91220 1.00000 0.02410
O6 0.61100 0.82100 0.15740 1.00000 0.01750
O7 0.64600 0.54300 0.92160 1.00000 0.02380
O8 0.38800 0.27900 0.17540 1.00000 0.01250
O-H1 0.38200 0.55200 0.25550 1.00000 0.03440
O-H2 0.62000 0.21500 0.99970 1.00000 0.01730
O-H3 0.11500 0.68200 0.17130 1.00000 0.00870
O-H4 0.61900 0.54900 0.08080 1.00000 0.04050