#------------------------------------------------------------------------------
#$Date: 2023-05-18 15:51:33 +0300 (Thu, 18 May 2023) $
#$Revision: 283866 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/37/9013705.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_9013705
loop_
_publ_author_name
'Sarp, H.'
'Cerny, R.'
'Babalik, H.'
'Hatipoglu, M.'
'Mari, G.'
_publ_section_title
;Lapeyreite, Cu3O[AsO3(OH)]2x0.75H2O, a new mineral: Its description and
 crystal structure Locality: Daluis Gorge, Var Valley, Alpes-Maritimes, France
;
_journal_name_full               'American Mineralogist'
_journal_page_first              171
_journal_page_last               176
_journal_paper_doi               10.2138/am.2010.3225
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source
'Daluis Gorge, Var Valley, Alpes-Maritimes, France'
_chemical_formula_sum            'As1.32 Cu2 H2 O6.5'
_chemical_name_mineral           Lapeyreite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.26
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.158
_cell_length_b                   2.9361
_cell_length_c                   9.193
_cell_volume                     503.318
_database_code_amcsd             0005002
_exptl_crystal_density_diffrn    4.381
_cod_original_formula_sum        'Cu2 As1.32 O6.5 H2'
_cod_database_code               9013705
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2-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
Cu1 0.42730 0.00000 0.17520 1.00000 0.02250 Cu 0
Cu2 0.67200 0.00000 0.47730 1.00000 0.02030 Cu 0
As1 0.08260 0.00000 0.16890 0.66000 0.03100 As 0
As2 0.22580 0.00000 0.80490 0.66000 0.03200 As 0
O1 0.21550 0.00000 0.60900 1.00000 0.02400 O 0
O2 0.12300 0.00000 0.35700 1.00000 0.03600 O 0
O3 0.99370 0.00000 0.17200 1.00000 0.02600 O 0
O4 0.13880 0.00000 0.82400 1.00000 0.03000 O 0
O5 0.76100 0.00000 0.87300 1.00000 0.18000 O 0
O6 0.60400 0.00000 0.10900 1.00000 0.23000 O 0
Wat7 0.48000 0.00000 0.47200 0.50000 0.07000 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
;
2023-05-18T11:42:29+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 0005002