#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/38/9013814.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_9013814
loop_
_publ_author_name
'Wierzbicka-Wieczorek M'
'Kolitsch, U.'
'Tillmanns, E.'
_publ_section_title
;
 The crystal structures of three new complex silicates of sandium
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              51
_journal_page_last               68
_journal_paper_doi               10.3749/canmin.48.1.51
_journal_volume                  48
_journal_year                    2010
_chemical_compound_source        Synthetic
_chemical_formula_structural     KSrSc(Si2O7)
_chemical_formula_sum            'K O7 Sc Si2 Sr'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.39
_cell_angle_gamma                90
_cell_length_a                   9.446
_cell_length_b                   5.478
_cell_length_c                   12.537
_cell_formula_units_Z            4
_cell_volume                     628.377
_database_code_amcsd             0006315
_exptl_crystal_density_diffrn    3.592
_cod_original_formula_sum        'K Sr Sc Si2 O7'
_cod_database_code               9013814
_amcsd_formula_title             KSrScSi2O7
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+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_U_iso_or_equiv
K 0.13142 0.26608 0.14338 0.01761
Sr 0.64474 0.77038 0.17439 0.01042
Sc 0.75821 0.23577 0.02377 0.00654
Si1 0.44736 0.27864 0.11681 0.00675
Si2 0.97477 0.75689 0.14277 0.00652
O1 0.35510 0.09040 0.02826 0.01100
O2 0.39680 0.55970 0.09062 0.01170
O3 0.62330 0.25300 0.13902 0.00980
O4 0.41180 0.20070 0.23541 0.01110
O5 0.08000 0.76700 0.05973 0.01130
O6 0.85910 0.53360 0.12269 0.01220
O7 0.88840 0.00980 0.15242 0.00900
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006315
