#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/80/9008099.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_9008099
loop_
_publ_author_name
'Cid-Dresdner H'
_publ_section_title
;Determination and refinement of the crystal structure of turquois,
 CuAl6(PO4)4(OH)8*4H2O Locality: Virginia, USA
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              87
_journal_page_last               113
_journal_paper_doi               10.1524/zkri.1965.121.2-4.87
_journal_volume                  121
_journal_year                    1965
_chemical_compound_source        'Virginia, USA'
_chemical_formula_sum            'Al6 Cu H16 O28 P4'
_chemical_name_mineral           Turquoise
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                68.61
_cell_angle_beta                 69.71
_cell_angle_gamma                65.08
_cell_length_a                   7.424
_cell_length_b                   7.629
_cell_length_c                   9.910
_cell_formula_units_Z            1
_cell_volume                     461.403
_database_code_amcsd             0010612
_exptl_crystal_density_diffrn    2.927
_cod_original_formula_sum        'Cu P4 Al6 O28 H16'
_cod_database_code               9008099
loop_
_space_group_symop_operation_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_U_iso_or_equiv
Cu 0.00000 0.00000 0.00000 ?
P1 0.35040 0.38670 0.94290 ?
P2 0.84230 0.38660 0.45700 ?
Al1 0.28430 0.17660 0.75210 ?
Al2 0.75200 0.18620 0.27360 ?
Al3 0.24480 0.50230 0.24380 ?
O1 0.06750 0.36330 0.38410 ?
O2 0.80580 0.34350 0.62620 ?
O3 0.27520 0.35540 0.11290 ?
O4 0.06630 0.06390 0.19730 ?
O5 0.23750 0.07390 0.62870 ?
O6 0.73340 0.08570 0.12430 ?
O7 0.29780 0.40160 0.60600 ?
O8 0.32490 0.22270 0.90490 ?
O9 0.98570 0.28070 0.84710 ?
O10 0.57560 0.04670 0.68550 ?
O11 0.78660 0.40670 0.13190 ?
O12 0.46300 0.29500 0.32770 ?
O13 0.78640 0.22810 0.43230 ?
O14 0.57790 0.36600 0.89870 ?
H1 0.86670 0.03330 0.75330 0.01039
H2 0.15000 0.15670 0.15000 0.01039
H3 0.63330 0.14330 0.59000 0.01203
H4 0.39330 0.08330 0.29000 0.01203
H5 0.14330 0.16670 0.59330 0.00861
H6 0.65000 0.14330 0.10000 0.00836
H7 0.98000 0.35000 0.90000 0.00773
H8 0.45000 0.26760 0.42330 0.00773
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010612
