#------------------------------------------------------------------------------
#$Date: 2023-05-18 15:51:33 +0300 (Thu, 18 May 2023) $
#$Revision: 283866 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/48/9004844.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_9004844
loop_
_publ_author_name
'Cooper, M. A.'
'Hawthorne, F. C.'
_publ_section_title
;The crystal structure of goldquarryite,
 (Cu,_)(Cd,Ca)2Al2(PO4)4F2(H2O)10{(H2O),F}2, a secondary phosphate from the
 Gold Quarry Mine, Eureka County, Nevada, U.S.A. Locality: Gold Quarry Mine,
 Carlin, Eureka County, Nevada, USA
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              753
_journal_page_last               761
_journal_paper_doi               10.2113/gscanmin.42.3.753
_journal_volume                  42
_journal_year                    2004
_chemical_compound_source
'Gold Quarry Mine, Carlin, Eureka County, Nevada, USA'
_chemical_formula_sum            'Al3 Ca0.32 Cd1.68 Cu0.7 F2.4 H12 O27.6 P4'
_chemical_name_mineral           Goldquarryite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.40
_cell_angle_beta                 104.27
_cell_angle_gamma                102.51
_cell_formula_units_Z            1
_cell_length_a                   6.787
_cell_length_b                   9.082
_cell_length_c                   10.113
_cell_volume                     568.642
_database_code_amcsd             0005937
_exptl_crystal_density_diffrn    2.775
_cod_original_cell_volume        568.643
_cod_original_formula_sum        'Cu.7 (Cd1.68 Ca.32) P4 Al3 F2.4 O27.6 H12'
_cod_database_code               9004844
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_occupancy
_atom_site_U_iso_or_equiv
_atom_site_type_symbol
_atom_site_attached_hydrogens
Cu2+ 0.00000 0.00000 0.00000 0.70000 0.01890 Cu 0
Cd 0.27682 0.51849 0.55938 0.84000 0.01080 Cd 0
Ca 0.27682 0.51849 0.55938 0.16000 0.01080 Ca 0
P1 0.23890 0.18570 0.32880 1.00000 0.00980 P 0
P2 0.10770 0.71240 0.32640 1.00000 0.00990 P 0
Al1 0.50000 0.00000 0.50000 1.00000 0.00870 Al 0
Al2 0.00000 0.00000 0.50000 1.00000 0.00970 Al 0
Al3 0.00000 0.50000 0.00000 1.00000 0.01330 Al 0
F1 0.28420 0.02320 0.57810 1.00000 0.01900 F 0
O1 0.36780 0.35630 0.39820 1.00000 0.01300 O 0
O2 0.37920 0.07360 0.34670 1.00000 0.01300 O 0
O3 0.14270 0.16770 0.17030 1.00000 0.01700 O 0
O4 0.06100 0.14590 0.39560 1.00000 0.01200 O 0
O5 -0.01780 0.83320 0.34680 1.00000 0.01200 O 0
O6 0.34730 0.79230 0.39680 1.00000 0.01300 O 0
O7 0.03930 0.58150 0.39520 1.00000 0.01600 O 0
O8 0.06470 0.64840 0.16780 1.00000 0.02000 O 0
Wat1 0.41870 0.37690 0.71460 1.00000 0.01800 O 2
Wat2 0.18330 0.63750 -0.05440 0.80000 0.01600 O 2
F2 0.18330 0.63750 -0.05440 0.20000 0.01600 F 0
Wat3 0.23190 0.41930 0.07840 1.00000 0.01700 O 2
Wat4 0.27340 0.73780 0.72350 1.00000 0.02400 O 2
Wat5 0.17860 0.10970 -0.09620 1.00000 0.03900 O 2
Wat6 0.40900 -0.07510 0.09050 0.70000 0.04800 O 2
Wat7 0.26300 -0.08200 0.06600 0.30000 0.03600 O 2
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1
;cod-tools version 3.8.0
Id: cif_guess_AMCSD_atom_types 9581 2023-05-17 12:35:41Z saulius
;
2023-05-18T11:38:29+03:00
;Derived atom types and hydrogen counts
from atom names that follow the AMCSD naming convention
(Wat == water, O-H == hydroxyl).
;
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005937
