#------------------------------------------------------------------------------
#$Date: 2024-05-06 10:39:41 +0300 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/96/9009612.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_9009612
loop_
_publ_author_name
'Mellini, M.'
_publ_section_title
;
 Niocalite revised: Twinning and crystal structure
 Note: cuspidine structure
;
_journal_name_full
'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_page_first              249
_journal_page_last               266
_journal_volume                  30
_journal_year                    1982
_chemical_compound_source        'Oka, Quebec, Canada'
_chemical_formula_sum            'Ca7 F Nb O17 Si4'
_chemical_name_mineral           Niocalite
_space_group_IT_number           7
_symmetry_space_group_name_Hall  'P -2ya'
_symmetry_space_group_name_H-M   'P 1 a 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.1
_cell_angle_gamma                90
_cell_length_a                   10.863
_cell_length_b                   10.431
_cell_length_c                   7.370
_cell_formula_units_Z            2
_cell_volume                     784.246
_database_code_amcsd             0015690
_exptl_crystal_density_diffrn    3.289
_cod_original_formula_sum        'Ca7 Nb Si4 O17 F'
_cod_database_code               9009612
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,-y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca1 0.92530 0.65390 0.47810
Ca2 0.91790 0.66510 0.97330
Ca3 0.81230 0.37430 0.68250
Ca4 0.82000 0.36790 0.17000
Nb1 0.68230 0.13950 0.86050
Ca5 0.66280 0.13250 0.35040
Ca6 0.57310 -0.16170 0.55230
Ca7 0.56390 -0.15420 0.04280
Si1 0.36510 0.06540 0.66630
Si2 0.37760 0.05410 0.24140
Si3 0.61690 0.55780 0.35240
Si4 0.60940 0.55930 0.79250
O1 0.50600 0.00900 0.78800
O2 0.50900 -0.02600 0.26900
O3 0.23600 -0.00300 0.68600
O4 0.24400 0.00500 0.07800
O5 0.34500 0.21900 0.68000
O6 0.40400 0.20100 0.22200
O7 0.75500 0.50200 0.36300
O8 0.74500 0.50500 0.92100
O9 0.49300 0.47000 0.24000
O10 0.48200 0.47500 0.77500
O11 0.58700 0.70400 0.30000
O12 0.57800 0.71000 0.80800
O13 0.62600 0.23900 0.04200
O14 0.62300 0.23700 0.62200
F 0.85300 0.24600 0.44700
O16 0.84500 0.22500 0.93700
O17 0.33900 0.03200 0.43600
O18 0.62300 0.53300 0.57600
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015690
