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#$Date: 2024-01-03 19:00:01 +0200 (Wed, 03 Jan 2024) $
#$Revision: 288653 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/96/9009614.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_9009614
loop_
_publ_author_name
'Pertlik, F.'
'Preisinger, A.'
_publ_section_title
;
 Crystal structure of sahamalite (Mg,Fe)RE2(CO3)4
;
_journal_name_full
'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_page_first              39
_journal_page_last               46
_journal_paper_doi               10.1007/BF01084760
_journal_volume                  31
_journal_year                    1983
_chemical_compound_source
'Mountain Pass mine, San Bernardino County, California'
_chemical_formula_sum            'C4 Ce Fe0.14 La Mg0.86 O12'
_chemical_name_mineral           Sahamalite-(Ce)
_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                 106.54
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.894
_cell_length_b                   16.116
_cell_length_c                   4.612
_cell_volume                     419.956
_database_code_amcsd             0015692
_exptl_crystal_density_diffrn    4.332
_cod_original_formula_sum        '(Mg.86 Fe.14) (Ce La) C4 O12'
_cod_database_code               9009614
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_occupancy
MgM 0.00000 0.00000 0.00000 0.86000
FeM 0.00000 0.00000 0.00000 0.14000
CeRE 0.08173 0.34587 0.30511 0.50000
LaRE 0.08173 0.34587 0.30511 0.50000
C1 0.30840 0.04630 0.61200 1.00000
C2 0.52280 0.31150 0.81830 1.00000
O11 0.28250 0.04540 0.32730 1.00000
O12 0.41820 0.10720 0.76340 1.00000
O13 0.22730 0.98550 0.73920 1.00000
O21 0.68130 0.27870 0.04290 1.00000
O22 0.02860 0.77840 0.44540 1.00000
O23 0.09430 0.87690 0.15110 1.00000
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1 'Vaitkus, Antanas' 2024-01-03T19:00:00+02:00
;
 Corrected atom-site coordinates after consulting the updated version of AMCSD
 entry 0015692. Added the _cell_formula_units_Z data item.
;
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015692
