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#$Date: 2024-05-06 10:39:41 +0300 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/93/9009324.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_9009324
loop_
_publ_author_name
'Effenberger, H.'
'Zemann, J.'
_publ_section_title
;
 The detailed crystal structure of nordenskioeldine, CaSn(BO3)2
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              111
_journal_page_last               114
_journal_volume                  1986
_journal_year                    1986
_chemical_compound_source        'Stiepelman mine, SW Africa'
_chemical_formula_sum            'B2 Ca O6 Sn'
_chemical_name_mineral           Nordenskioldine
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.858
_cell_length_b                   4.858
_cell_length_c                   16.0800
_cell_formula_units_Z            3
_cell_volume                     328.649
_database_code_amcsd             0014799
_exptl_crystal_density_diffrn    4.190
_cod_original_cell_volume        328.648
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Ca Sn B2 O6'
_cod_database_code               9009324
loop_
_space_group_symop_operation_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
y,-x+y,-z
2/3+y,1/3-x+y,1/3-z
1/3+y,2/3-x+y,2/3-z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
-x,-y,-z
2/3-x,1/3-y,1/3-z
1/3-x,2/3-y,2/3-z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
x-y,x,-z
2/3+x-y,1/3+x,1/3-z
1/3+x-y,2/3+x,2/3-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ca 0.00670 0.00670 0.00610 0.00335 0.00000 0.00000
Sn 0.00340 0.00340 0.00460 0.00170 0.00000 0.00000
B 0.00500 0.00500 0.00590 0.00250 0.00000 0.00000
O 0.00590 0.00730 0.00910 0.00440 -0.00130 -0.00320
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca 0.00000 0.00000 0.00000
Sn 0.00000 0.00000 0.50000
B 0.00000 0.00000 0.23950
O 0.26630 -0.03130 0.24170
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014799
