#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu 16 de May de 2024) $
#$Revision: 291877 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/19/9011928.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_9011928
loop_
_publ_author_name
'Sebals, M.'
'Dorokhova, G. I.'
'Pobedimskaya, E. A.'
'Khomyakov, A. P.'
_publ_section_title
;
 The crystal structure of nefedovite and its typomorphism
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              353
_journal_page_last               357
_journal_volume                  278
_journal_year                    1984
_chemical_formula_sum            'Ca4 F Na5 O16 P4'
_chemical_name_mineral           Nefedovite
_space_group_IT_number           82
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.644
_cell_length_b                   11.644
_cell_length_c                   5.396
_cell_formula_units_Z            2
_cell_volume                     731.604
_database_code_amcsd             0012476
_exptl_crystal_density_diffrn    3.060
_cod_original_formula_sum        'Na5 Ca4 P4 O16 F'
_cod_database_code               9011928
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
y,-x,-z
1/2+y,1/2-x,1/2-z
-x,-y,z
1/2-x,1/2-y,1/2+z
-y,x,-z
1/2-y,1/2+x,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Na1 0.09430 0.38860 -0.00800 0.01558
Na2 0.00000 0.00000 0.50000 0.01393
Ca 0.17860 0.11140 0.01810 0.00481
P 0.10450 0.24990 0.48980 0.00532
O1 0.03850 0.21680 0.25600 0.01013
O2 0.10360 0.38050 0.52300 0.01368
O3 0.22770 0.20790 0.45400 0.00899
O4 0.04980 0.19430 0.72100 0.01089
F 0.00000 0.00000 0.00000 0.01140
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012476
