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#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/62/9016292.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_9016292
loop_
_publ_author_name
'Kolitsch, U.'
'Kristiansen, R.'
'Raade, G.'
'Tillmanns, E.'
_publ_section_title
;
 Heftetjernite, a new scandium mineral from the Heftetjern pegmatite, Tordal, Norway
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              309
_journal_page_last               316
_journal_paper_doi               10.1127/0935-1221/2010/0022-1987
_journal_volume                  22
_journal_year                    2010
_chemical_compound_source        'the Heftetjern pegmatite, Tordal, Norway'
_chemical_formula_sum
'Fe0.07 Mn0.18 Nb0.42 O4 Sc0.5 Sn0.2 Ta0.58 Ti0.05'
_chemical_name_mineral           Heftetjernite
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.15
_cell_angle_gamma                90
_cell_length_a                   4.784
_cell_length_b                   5.693
_cell_length_c                   5.120
_cell_formula_units_Z            2
_cell_volume                     139.417
_database_code_amcsd             0007337
_exptl_crystal_density_diffrn    6.441
_cod_original_formula_sum
'(Sc.5 Sn.2 Mn.18 Fe.07 Ti.05) (Ta.58 Nb.42) O4'
_cod_database_code               9016292
loop_
_space_group_symop_operation_xyz
x,y,z
x,-y,1/2+z
-x,y,1/2-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
Sc 0.50000 0.67390 0.25000 0.50000 0.00540
Sn 0.50000 0.67390 0.25000 0.20000 0.00540
Mn 0.50000 0.67390 0.25000 0.18000 0.00540
Fe 0.50000 0.67390 0.25000 0.07000 0.00540
Ti 0.50000 0.67390 0.25000 0.05000 0.00540
Ta 0.00000 0.17541 0.25000 0.58000 0.00513
Nb 0.00000 0.17541 0.25000 0.42000 0.00513
O1 0.21970 0.10760 0.93250 1.00000 0.01010
O2 0.26440 0.38450 0.40670 1.00000 0.00970
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0007337
