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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/61/2106141.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106141
loop_
_publ_author_name
'Czaya, R.'
_publ_section_title
;
 Dehydration and transformation phases of Scholzite Ca Zn2 (P O4)2 (H2 O)2
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              322
_journal_page_last               323
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'Ca O2 P2 Zn2'
_chemical_name_systematic        'Ca Zn2 (P O4)2'
_space_group_IT_number           147
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.18
_cell_length_b                   5.18
_cell_length_c                   7.67
_cell_volume                     178.232
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Czaya_ACBCAR_1972_19.cif
_cod_data_source_block           Ca1O2P2Zn2
_cod_original_cell_volume        178.2319
_cod_original_formula_sum        'Ca1 O2 P2 Zn2'
_cod_database_code               2106141
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-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
Zn1 Zn+2 0.6667 0.3333 0.7 1 0.0
O1 O-2 0.6667 0.3333 0.45 1 0.0
Ca1 Ca+2 0 0 0 1 0.0
P1 P+5 0.6667 0.3333 0.25 1 0.0
