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#$Date: 2016-09-18 19:34:50 +0200 (dom 18 de sep de 2016) $
#$Revision: 186638 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/99/1529964.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_1529964
loop_
_publ_author_name
'Ganiev, R.M.'
'Kharitonov, Yu.A.'
'Ilyukhin, V.V.'
'Belov, N.V.'
_publ_section_title
;
 The crystal structure of calcium chondrodite Ca5 (Si O4)2 (O H)2 = Ca (O
 H)2 (Ca2 Si O4)2
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              1281
_journal_page_last               1283
_journal_volume                  188
_journal_year                    1969
_chemical_formula_sum            'Ca5 H2 O10 Si2'
_chemical_name_systematic        'Ca5 (Si O4)2 (O H)2'
_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                 109.3
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.42
_cell_length_b                   5.05
_cell_length_c                   8.93
_cell_volume                     486.059
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Ganiev_DANKAS_1969_867.cif
_cod_data_source_block           H2Ca5O10Si2
_cod_original_cell_volume        486.0594
_cod_original_sg_symbol_Hall     '-P 2ybc (z,y,-x)'
_cod_original_formula_sum        'H2 Ca5 O10 Si2'
_cod_database_code               1529964
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
-x,-y,-z
x-1/2,-y-1/2,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
_atom_site_attached_hydrogens
O3 O-2 0.253 0.306 0.349 1 0.0 0
O4 O-2 0.147 0.739 0.202 1 0.0 0
Ca1 Ca+2 0 0 0 1 0.0 0
O5 O-2 0.441 0.731 0.395 1 0.0 2
Ca3 Ca+2 0.119 0.006 0.418 1 0.0 0
O1 O-2 0.018 0.302 0.206 1 0.0 0
Si1 Si+4 0.146 0.429 0.201 1 0.0 0
Ca2 Ca+2 0.331 0.001 0.188 1 0.0 0
O2 O-2 0.17 0.303 0.048 1 0.0 0
