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#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/50/9005035.cif $
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#
# 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_9005035
loop_
_publ_author_name
'Merlino, S.'
'Perchiazzi, N.'
'Khomyakov, A. P.'
'Pushcharovsky, D. Y.'
'Kulikova, I. M.'
'Kuzmin, V. I.'
_publ_section_title
;
 Burpalite, a new mineral from Burpalinskii massif, North Transbajkal, USSR:
 its crystal structure and OD character
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              177
_journal_page_last               185
_journal_paper_doi               10.1127/ejm/2/2/0177
_journal_volume                  2
_journal_year                    1990
_chemical_compound_source
'Burpalinskii massif, North Transbajkal, USSR'
_chemical_formula_sum            'Ca F2 Na2 O7 Si2 Zr'
_chemical_name_mineral           Burpalite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.039
_cell_angle_gamma                90
_cell_length_a                   10.1173
_cell_length_b                   10.4446
_cell_length_c                   7.2555
_cell_formula_units_Z            4
_cell_volume                     766.697
_database_code_amcsd             0006380
_exptl_crystal_density_diffrn    3.322
_cod_original_formula_sum        'Na2 Ca Zr Si2 O7 F2'
_cod_database_code               9005035
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,z
1/2-x,1/2+y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Na1 0.37690 -0.07430 -0.12310 0.01988
Na2 0.37440 -0.07080 0.37590 0.01760
Ca 0.10520 -0.19990 0.12600 0.01634
Zr 0.10700 -0.19970 0.62470 0.01532
Si1 0.16710 0.12040 -0.34790 0.01355
Si2 0.17020 0.12150 0.09950 0.01317
O1 0.16810 0.14680 -0.12060 0.04091
O2 0.26580 0.23160 0.58300 0.02406
O3 0.26600 0.23910 0.16520 0.02837
O4 0.01890 0.14990 0.59090 0.02850
O5 0.01710 0.14690 0.15840 0.03154
O6 0.21480 -0.02610 0.61580 0.01811
O7 0.22430 -0.01730 0.13810 0.02508
F1 0.48940 0.11100 -0.12720 0.02634
F2 0.48370 0.12030 0.37450 0.02178
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006380
