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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/07/1530769.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_1530769
loop_
_publ_author_name
'Simonov, M.A.'
'Belokoneva, E.L.'
'Egorov-Tismenko, Yu.K.'
'Belov, N.V.'
_publ_section_title
;
 The crystal structures of natural rhodonite Ca Mn4 (Si5 O15) and
 synthetic Na H Cd4 (Ge5 O15) and Li H Cd4 (Ge5 O15)
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              586
_journal_page_last               589
_journal_volume                  234
_journal_year                    1977
_chemical_formula_sum            'Cd4 Ge5 H Li O15'
_chemical_name_systematic        'Li H Cd4 (Ge5 O15)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                93
_cell_angle_beta                 94.6
_cell_angle_gamma                105.75
_cell_formula_units_Z            2
_cell_length_a                   7.931
_cell_length_b                   12.269
_cell_length_c                   7.058
_cell_volume                     656.899
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Simonov_DANKAS_1977_222.cif
_cod_data_source_block           H1Cd4Ge5Li1O15
_cod_original_formula_sum        'H1 Cd4 Ge5 Li1 O15'
_cod_database_code               1530769
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
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
Cd3 Cd+2 0.4646 0.2644 0.8175 1 0.0
O10 O-2 0.275 0.761 0.772 1 0.0
O9 O-2 0.951 0.679 0.938 1 0.0
O11 O-2 0.702 0.499 0.563 1 0.0
O4 O-2 0.089 0.525 0.728 1 0.0
O1 O-2 0.048 0.32 0.579 1 0.0
Cd4 Cd+2 0.257 0.987 0.7281 1 0.0
O8 O-2 0.2 0.879 0.394 1 0.0
Li1 Li+1 0.835 0.383 0.664 1 0.0
O15 O-2 0.478 0.695 0.484 1 0.0
Ge5 Ge+4 0.1442 0.6484 0.8915 1 0.0
O6 O-2 0.177 0.152 0.747 1 0.0
O7 O-2 0.566 0.914 0.642 1 0.0
O14 O-2 0.51 0.095 0.841 1 0.0
Cd1 Cd+2 0.9023 0.8499 0.9431 1 0.0
O12 O-2 0.739 0.381 0.906 1 0.0
Ge4 Ge+4 0.6811 0.0421 0.7792 1 0.0
Ge1 Ge+4 0.0263 0.1734 0.5718 1 0.0
O5 O-2 0.385 0.435 0.817 1 0.0
Ge2 Ge+4 0.2224 0.4424 0.6427 1 0.0
Cd2 Cd+2 0.6828 0.5577 0.8689 1 0.0
Ge3 Ge+4 0.4886 0.7739 0.7 1 0.0
O13 O-2 0.975 0.892 0.651 1 0.0
O2 O-2 0.824 0.024 0.966 1 0.0
O3 O-2 0.619 0.731 0.873 1 0.0
