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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/06/1510659.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1510659
loop_
_publ_author_name
'Schaefer, J.'
'Bluhm, K.'
_publ_section_title
;
 Ein neues Kupferzinnboratoxid mit isolierten BO3-Baugruppen:
 Cu5Sn(BO3)2O4
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1578
_journal_page_last               1582
_journal_paper_doi               10.1002/zaac.19946200914
_journal_volume                  620
_journal_year                    1994
_chemical_formula_sum            'B2 Cu5 O10 Sn'
_chemical_name_systematic        'Cu5 Sn (B O3)2 O4'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.3
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.3526
_cell_length_b                   9.502
_cell_length_c                   12.1
_cell_volume                     729.174
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            boron_142.cif
_cod_data_source_block           B2Cu5O10Sn1
_cod_original_formula_sum        'B2 Cu5 O10 Sn1'
_cod_database_code               1510659
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
B1 B+3 0.1986 0.7702 0.3684 1 0.0
Cu1 Cu+2 0.2812 0.2358 0.3782 0.333 0.0
Cu2 Cu+2 0.7822 0.2345 0.3776 0.667 0.0
O2 O-2 0.5568 0.373 0.4088 1 0.0
O8 O-2 0.7783 0.1253 0.1345 1 0.0
O7 O-2 0.2763 0.1189 0.1313 1 0.0
B2 B+3 0.6962 0.7594 0.366 1 0.0
Cu3 Cu+2 0.0211 0.005 0.7801 1 0.0
Cu7 Cu+2 0.5 0 0.5 1 0.0
O4 O-2 0.6899 0.8354 0.2691 1 0.0
O5 O-2 0.3097 0.1582 0.5376 1 0.0
Cu6 Cu+2 0 0 0.5 1 0.0
Cu4 Cu+2 0.5248 0.013 0.778 1 0.0
Sn2 Sn+4 0.7822 0.2345 0.3776 0.333 0.0
O1 O-2 0.0737 0.3836 0.4146 1 0.0
O3 O-2 0.1788 0.8394 0.2678 1 0.0
O6 O-2 0.8113 0.1573 0.5345 1 0.0
O9 O-2 0.0157 0.0984 0.356 1 0.0
Sn1 Sn+4 0.2812 0.2358 0.3782 0.667 0.0
Cu5 Cu+2 0.7479 0.0077 0.9995 1 0.0
O10 O-2 0.4981 0.0905 0.3552 1 0.0
