#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/39/9013936.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_9013936
loop_
_publ_author_name
'Schluter, J.'
'Malcherek, T.'
'Pohl, D.'
_publ_section_title
;
 Sanromanite, from the Santa Rosa mine, Atacama desert, Chile,
 a new mineral of the burbankite group
;
_journal_name_full
'Neues Jahrbuch fur Mineralogie, Abhandlungen'
_journal_page_first              117
_journal_page_last               121
_journal_volume                  183
_journal_year                    2007
_chemical_compound_source        'Santa Rosa mine, near Iquique, Chile'
_chemical_formula_sum            'C5 Ca Na2 O15 Pb3'
_chemical_name_mineral           Sanromanite
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.5702
_cell_length_b                   10.5702
_cell_length_c                   6.6509
_cell_formula_units_Z            2
_cell_volume                     643.543
_database_code_amcsd             0014726
_exptl_crystal_density_diffrn    5.200
_cod_original_formula_sum        '(Na2 Ca) Pb3 C5 O15'
_cod_database_code               9013936
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-x+y,1/2+z
x-y,x,1/2+z
-y,-x,z
-y,x-y,z
x-y,-y,1/2+z
-x,-y,1/2+z
x,x-y,z
-x+y,-x,z
y,x,1/2+z
y,-x+y,1/2+z
-x+y,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
NaA 0.52324 -0.52324 0.31990 0.66667 0.01520
CaA 0.52324 -0.52324 0.31990 0.33333 0.01520
PbB 0.84317 -0.84317 0.00000 1.00000 0.01980
C1 0.79440 -0.79440 0.54960 1.00000 0.01100
C2 0.33333 0.66667 0.49500 1.00000 0.01300
C3 0.00000 0.00000 0.84600 1.00000 0.01000
O1 0.38480 0.08680 0.64060 1.00000 0.02000
O2 0.93040 -0.93040 0.35020 1.00000 0.02200
O3 0.40330 -0.40330 0.50710 1.00000 0.01800
O4 0.77220 -0.77220 0.37340 1.00000 0.01900
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014726
