#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/20/1532023.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_1532023
loop_
_publ_author_name
'Papike, J.J.'
'Ross, M.'
'Clark, J.R.'
_publ_section_title
;
 Crystal-chemical characterization of clinoamphiboles based on five new
 structure refinements
;
_journal_name_full
'Mineralogical Society of America: Special Papers'
_journal_page_first              117
_journal_page_last               136
_journal_volume                  2
_journal_year                    1969
_chemical_formula_sum            'Ca2 H2 Mg5 O24 Si8'
_chemical_name_systematic        'Ca2 Mg5 (O H)2 (Si8 O22)'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.65
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.818
_cell_length_b                   18.047
_cell_length_c                   5.275
_cell_volume                     904.267
_citation_journal_id_ASTM        MSAPAX
_cod_data_source_file            Papike_MSAPAX_1969_1646.cif
_cod_data_source_block           H2Ca2Mg5O24Si8
_cod_original_cell_volume        904.2666
_cod_original_formula_sum        'H2 Ca2 Mg5 O24 Si8'
_cod_database_code               1532023
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-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
Si1 Si+4 0.2804 0.084 0.2964 1 0.0
O6 O-2 0.3436 0.1185 0.5884 1 0.0
O1 O-2 0.1117 0.086 0.2171 1 0.0
O4 O-2 0.3654 0.248 0.7933 1 0.0
Ca1 Ca+2 0 0.2776 0.5 1 0.0
O7 O-2 0.337 0 0.2921 1 0.0
O2 O-2 0.1185 0.1712 0.724 1 0.0
Mg3 Mg+2 0 0 0 1 0.0
Mg2 Mg+2 0 0.1766 0 1 0.0
H1 H+1 0.199 0 0.77 1 0.0
O3 O-2 0.1096 0 0.7152 1 0.0
O5 O-2 0.3465 0.1343 0.0992 1 0.0
Mg1 Mg+2 0 0.0878 0.5 1 0.0
Si2 Si+4 0.2887 0.1711 0.8042 1 0.0
