#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/87/1008744.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_1008744
loop_
_publ_author_name
'Barbier, J'
'Levy, D'
_publ_section_title
;
Crystal structures of Ca5 Ge3 O11 and wollastonite-type Ga Ge O3
;
_journal_coden_ASTM              ZEKRDZ
_journal_name_full
;
Zeitschrift fuer Kristallographie (149,1979-)
;
_journal_page_first              519
_journal_page_last               528
_journal_volume                  212
_journal_year                    1997
_chemical_formula_structural     'Ca (Ge O3)'
_chemical_formula_sum            'Ca Ge O3'
_chemical_name_systematic        'Calcium germanate'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                103.44(3)
_cell_angle_beta                 94.42(3)
_cell_angle_gamma                90.11(3)
_cell_formula_units_Z            6
_cell_length_a                   7.2686(15)
_cell_length_b                   7.5262(15)
_cell_length_c                   8.094(2)
_cell_volume                     429.3
_refine_ls_R_factor_all          0.0686
_cod_database_code               1008744
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Ca1 Ca2+ 2 i -0.02713(5) 0.24680(5) -0.00951(4) 1. 0 d
Ca2 Ca2+ 2 i 0.26187(5) -0.07445(5) 0.70501(5) 1. 0 d
Ca3 Ca2+ 2 i 0.25918(5) 0.42547(5) 0.70730(5) 1. 0 d
Ge1 Ge4+ 2 i 0.22422(3) 0.05457(2) 0.32260(2) 1. 0 d
Ge2 Ge4+ 2 i 0.22769(3) 0.60715(2) 0.31858(2) 1. 0 d
Ge3 Ge4+ 2 i 0.44842(3) 0.27343(2) 0.09412(2) 1. 0 d
O1 O2- 2 i 0.6849(2) 0.2701(2) 0.0949(2) 1. 0 d
O2 O2- 2 i 0.2910(2) 0.2249(2) -0.0805(2) 1. 0 d
O3 O2- 2 i 0.0303(2) 0.5282(2) 0.1887(2) 1. 0 d
O4 O2- 2 i 0.4213(2) 0.4960(2) 0.2239(2) 1. 0 d
O5 O2- 2 i 0.0276(2) 0.0691(2) 0.1928(2) 1. 0 d
O6 O2- 2 i 0.4186(2) 0.1302(2) 0.2379(2) 1. 0 d
O7 O2- 2 i 0.2242(3) 0.1383(2) 0.5361(2) 1. 0 d
O8 O2- 2 i 0.2316(2) 0.6243(2) 0.5310(2) 1. 0 d
O9 O2- 2 i 0.2661(3) -0.1783(2) 0.2782(2) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ca2+ 2.000
Ge4+ 4.000
O2- -2.000
