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#$Date: 2023-03-24 18:37:27 +0200 (Fri, 24 Mar 2023) $
#$Revision: 282053 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/09/9000987.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_9000987
loop_
_publ_author_name
'Hawthorne, F. C.'
_publ_section_title
;
 Lammerite, Cu3(AsO4)2, a modulated close-packed structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              206
_journal_page_last               209
_journal_volume                  71
_journal_year                    1986
_chemical_formula_sum            'As2 Cu3 O8'
_chemical_name_mineral           Lammerite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.72
_cell_angle_gamma                90
_cell_length_a                   5.079
_cell_length_b                   11.611
_cell_length_c                   5.394
_cell_volume                     295.513
_database_code_amcsd             0001009
_exptl_crystal_density_diffrn    5.265
_cod_original_formula_sum        'Cu3 As2 O8'
_cod_database_code               9000987
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,z
1/2-x,1/2+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
Cu1 0.00000 0.50000 0.50000 0.01250
Cu2 0.24620 0.83670 0.85630 0.01480
As -0.11110 0.88510 0.26250 0.00960
O1 0.19210 0.91730 0.22030 0.01300
O2 -0.09460 0.81570 0.53900 0.01500
O3 0.17170 0.68710 0.99040 0.01300
O4 0.28930 0.99020 0.73320 0.01200