#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu 16 de May de 2024) $
#$Revision: 291877 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/20/9012060.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_9012060
loop_
_publ_author_name
'Choisnet, J.'
'Nguyen, N.'
'Groult, D.'
'Raveau, B.'
_publ_section_title
;De nouveaux oxydes a reseau forme d'octahedres NbO6 (TaO6) et de groupes
 Si2O7: Les phases A3Ta6Si4O26 (A = Ba,Sr) et K6M6Si4O26 (M = Nb,Ta)
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              887
_journal_page_last               894
_journal_paper_doi               10.1016/0025-5408(76)90160-4
_journal_volume                  11
_journal_year                    1976
_chemical_formula_structural     K6Nb6Si4O26
_chemical_formula_sum            'K3 Nb3 O13 Si2'
_space_group_IT_number           189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.032
_cell_length_b                   9.032
_cell_length_c                   8.041
_cell_formula_units_Z            2
_cell_volume                     568.079
_database_code_amcsd             0014246
_exptl_crystal_density_diffrn    3.860
_cod_original_formula_sum        'K3 Nb3 Si2 O13'
_cod_database_code               9012060
_amcsd_formula_title             K6Nb6Si4O26
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-x+y,z
-x+y,-x,-z
y,x,-z
-y,x-y,z
x-y,-y,z
x,y,-z
-x,-x+y,-z
-x+y,-x,z
y,x,z
-y,x-y,-z
x-y,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
K1 0.59100 0.00000 0.50000 0.03534
K2 0.60400 0.00000 0.00000 0.00925
Nb 0.23900 0.00000 0.23400 0.01013
Si 0.33333 0.66667 0.20300 0.01583
O1 0.33333 0.66667 0.00000 0.00760
O2 0.25000 0.00000 0.00000 0.00127
O3 0.81600 0.00000 0.23700 0.01646
O4 0.49400 0.17600 0.26500 0.00127
O5 0.26800 0.00000 0.50000 0.01634
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014246
