#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu 16 de May de 2024) $
#$Revision: 291877 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/19/9011934.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_9011934
loop_
_publ_author_name
'Sokolova, E. V.'
'Khomyakov, A. P.'
_publ_section_title
;
 Crystal structure of a new mineral Na3SePO4CO3 from bredleyite group
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              531
_journal_page_last               535
_journal_volume                  322
_journal_year                    1992
_chemical_formula_sum            'C Na3 O7 P Sr'
_chemical_name_mineral           Crawfordite
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2c'
_symmetry_space_group_name_H-M   'P 1 1 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                89.98
_cell_length_a                   9.187
_cell_length_b                   5.279
_cell_length_c                   6.707
_cell_formula_units_Z            2
_cell_volume                     325.277
_database_code_amcsd             0012486
_exptl_crystal_density_diffrn    3.181
_cod_original_formula_sum        'Sr P Na3 C O7'
_cod_database_code               9011934
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-y,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
Sr 0.67640 -0.00030 0.25000 0.01393
P 0.33050 -0.00010 0.25400 0.00735
Na1 0.15840 0.49800 0.23600 0.04306
Na2 0.00600 -0.00600 0.00600 0.04179
Na3 0.46580 0.50100 0.45600 0.01646
C 0.15400 0.50800 0.77300 0.03926
O1 0.70500 0.49300 0.27000 0.02280
O2 0.91500 0.29000 0.24600 0.04939
O3 0.23500 0.14300 0.10500 0.02406
O4 0.42700 0.80500 0.15600 0.02786
O5 0.91700 0.71100 0.25500 0.05319
O6 0.42600 0.19700 0.15300 0.01900
O7 0.76200 0.13700 0.91100 0.01520
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012486
