#------------------------------------------------------------------------------
#$Date: 2024-04-25 16:59:02 +0200 (jue 25 de abr de 2024) $
#$Revision: 291351 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/26/9002646.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_9002646
loop_
_publ_author_name
'Merlino, S.'
'Orlandi, P.'
_publ_section_title
;Carraraite and zaccagnaite, two new minerals from the Carrara marble
 quarries: their chemical compositions, physical properties and structural
 features
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1293
_journal_page_last               1301
_journal_volume                  86
_journal_year                    2001
_chemical_formula_sum            'C H2 Al0.333 O5 Zn0.667'
_chemical_name_mineral           Zaccagnaite
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.0725
_cell_length_b                   3.0725
_cell_length_c                   15.114
_cell_formula_units_Z            2
_cell_volume                     123.565
_database_code_amcsd             0002735
_exptl_crystal_density_diffrn    3.941
_cod_original_formula_sum        '(Al.333 Zn.667) O5 C H2'
_cod_database_code               9002646
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-x+y,1/2+z
x,x-y,1/2-z
-x+y,-x,1/2-z
x-y,x,1/2+z
-y,-x,z
y,x,-z
y,-x+y,-z
-y,x-y,z
x-y,-y,1/2+z
-x+y,y,1/2-z
x,y,1/2-z
-x,-y,1/2+z
x,x-y,z
-x,-x+y,-z
x-y,x,-z
-x+y,-x,z
y,x,1/2+z
-y,-x,1/2-z
-y,x-y,1/2-z
y,-x+y,1/2+z
-x+y,y,z
x-y,-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
Al 0.00000 0.00000 0.00000 0.33333 0.01100
Zn 0.00000 0.00000 0.00000 0.66667 0.01100
O1 0.33333 0.66667 0.06550 1.00000 0.01700
O2 0.24100 -0.24100 0.25000 1.00000 0.04000
C 0.00000 0.00000 0.25000 1.00000 0.01900
H 0.33333 0.66667 0.09900 1.00000 0.01000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0002735
